*HEADER    APPA                                    15-JUN-05   2BUN
*TITLE     SOLUTION STRUCTURE OF THE BLUF DOMAIN OF APPA 5-125
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: APPA;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: BLUF DOMAIN, RESIDUES 5-125;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   4 EXPRESSION_SYSTEM_PLASMID: PLICHIS;
*SOURCE   5 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES;
*SOURCE   6 STRAIN: 2.4.1 RK1
*KEYWDS    APPA, FAD, ALPHA-BETA SANDWICH, BLUF DOMAIN
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    J.S.GRINSTEAD,S.-T.HSU,W.LAAN,A.M.J.J.BONVIN,K.HELLINGWERF,
*AUTHOR   2 R.BOELENS,R.KAPTEIN




 ASSI {  360}
   (( segid A    and resid 15   and name HB1 ))
   (( segid A    and resid 68   and name HD2 ))
      2.500     0.800     0.800 peak   360 spectrum    1 weight  0.11000E+01 volume  0.62352E-02 ppm1      2.640 ppm2      7.405 CV     1
 OR {  360}
   (( segid B    and resid 15   and name HB1 ))
   (( segid B    and resid 68   and name HD2 ))
 ASSI {  361}
   (( segid A    and resid 15   and name HB2 ))
   (( segid A    and resid 68   and name HD2 ))
      2.500     0.800     0.800 peak   361 spectrum    1 weight  0.11000E+01 volume  0.56036E-02 ppm1      2.718 ppm2      7.403 CV     1
 OR {  361}
   (( segid B    and resid 15   and name HB2 ))
   (( segid B    and resid 68   and name HD2 ))
 ASSI {  362}
   (( segid A    and resid 16   and name HA  ))
   (  segid A    and resid 16   and name HD1%)
      1.900     0.400     0.400 peak   362 spectrum    1 weight  0.11000E+01 volume  0.15589E-01 ppm1      4.798 ppm2      0.739 CV     1
 OR {  362}
   (( segid B    and resid 16   and name HA  ))
   (  segid B    and resid 16   and name HD1%)
 ASSI {  363}
   (( segid A    and resid 16   and name HA  ))
   (( segid A    and resid 17   and name HN  ))
      2.100     0.500     0.500 peak   363 spectrum    1 weight  0.11000E+01 volume  0.10443E-01 ppm1      4.793 ppm2      9.093 CV     1
 OR {  363}
   (( segid B    and resid 16   and name HA  ))
   (( segid B    and resid 17   and name HN  ))
 ASSI {  365}
   (( segid B    and resid 16   and name HA  ))
   (( segid B    and resid 68   and name HA  ))
      1.900     0.400     0.400 peak   365 spectrum    1 weight  0.11000E+01 volume  0.87951E-02 ppm1      4.799 ppm2      5.132 CV     1
 OR {  365}
   (( segid A    and resid 16   and name HA  ))
   (( segid A    and resid 68   and name HA  ))
 ASSI {  366}
   (( segid B    and resid 16   and name HB2 ))
   (( segid B    and resid 16   and name HA  ))
      2.600     0.900     0.900 peak   366 spectrum    1 weight  0.11000E+01 volume  0.35744E-02 ppm1      1.842 ppm2      4.778 CV     1
 OR {  366}
   (( segid A    and resid 16   and name HB2 ))
   (( segid A    and resid 16   and name HA  ))
 ASSI {  367}
   (( segid A    and resid 16   and name HG  ))
   (( segid A    and resid 16   and name HA  ))
      2.900     1.100     1.100 peak   367 spectrum    1 weight  0.11000E+01 volume  0.35418E-02 ppm1      1.561 ppm2      4.781 CV     1
 OR {  367}
   (( segid B    and resid 16   and name HG  ))
   (( segid B    and resid 16   and name HA  ))
 ASSI {  370}
   (  segid A    and resid 16   and name HD1%)
   (( segid A    and resid 68   and name HA  ))
      2.500     0.800     0.800 peak   370 spectrum    1 weight  0.11000E+01 volume  0.38502E-02 ppm1      0.763 ppm2      5.129 CV     1
 OR {  370}
   (  segid B    and resid 16   and name HD1%)
   (( segid B    and resid 68   and name HA  ))
 ASSI {  371}
   (  segid B    and resid 16   and name HD1%)
   (( segid B    and resid 68   and name HD2 ))
      3.000     1.100     1.100 peak   371 spectrum    1 weight  0.11000E+01 volume  0.19749E-02 ppm1      0.759 ppm2      7.405 CV     1
 OR {  371}
   (  segid A    and resid 16   and name HD1%)
   (( segid A    and resid 68   and name HD2 ))
 ASSI {  372}
   (( segid A    and resid 17   and name HA  ))
   (( segid A    and resid 16   and name HA  ))
      2.900     1.100     1.100 peak   372 spectrum    1 weight  0.11000E+01 volume  0.22514E-02 ppm1      5.261 ppm2      4.778 CV     1
 OR {  372}
   (( segid B    and resid 17   and name HA  ))
   (( segid B    and resid 16   and name HA  ))
 ASSI {  373}
   (( segid B    and resid 17   and name HA  ))
   (( segid B    and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   373 spectrum    1 weight  0.11000E+01 volume  0.29345E-02 ppm1      5.249 ppm2      9.097 CV     1
 OR {  373}
   (( segid A    and resid 17   and name HA  ))
   (( segid A    and resid 17   and name HN  ))
 ASSI {  375}
   (( segid B    and resid 17   and name HA  ))
   (( segid B    and resid 95   and name HA  ))
      1.600     0.300     0.600 peak   375 spectrum    1 weight  0.11000E+01 volume  0.25527E-01 ppm1      5.266 ppm2      4.952 CV     1
 OR {  375}
   (( segid A    and resid 17   and name HA  ))
   (( segid A    and resid 95   and name HA  ))
 ASSI {  380}
   (( segid A    and resid 17   and name HN  ))
   (( segid A    and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   380 spectrum    1 weight  0.11000E+01 volume  0.13877E-02 ppm1      9.115 ppm2      5.130 CV     1
 OR {  380}
   (( segid B    and resid 17   and name HN  ))
   (( segid B    and resid 68   and name HA  ))
 ASSI {  381}
   (  segid A    and resid 17   and name HG1%)
   (( segid A    and resid 17   and name HA  ))
      2.500     0.800     0.800 peak   381 spectrum    1 weight  0.11000E+01 volume  0.50937E-02 ppm1      0.880 ppm2      5.237 CV     1
 OR {  381}
   (  segid B    and resid 17   and name HG1%)
   (( segid B    and resid 17   and name HA  ))
 ASSI {  383}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 17   and name HA  ))
      2.000     0.500     0.500 peak   383 spectrum    1 weight  0.11000E+01 volume  0.14167E-01 ppm1      0.957 ppm2      5.238 CV     1
 OR {  383}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 17   and name HA  ))
 ASSI {  385}
   (( segid A    and resid 18   and name HA  ))
   (( segid A    and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   385 spectrum    1 weight  0.11000E+01 volume  0.32883E-02 ppm1      5.713 ppm2      9.387 CV     1
 OR {  385}
   (( segid B    and resid 18   and name HA  ))
   (( segid B    and resid 19   and name HN  ))
 ASSI {  386}
   (( segid B    and resid 18   and name HA  ))
   (( segid B    and resid 66   and name HA  ))
      2.100     0.600     0.600 peak   386 spectrum    1 weight  0.11000E+01 volume  0.81143E-02 ppm1      5.709 ppm2      5.862 CV     1
 OR {  386}
   (( segid A    and resid 18   and name HA  ))
   (( segid A    and resid 66   and name HA  ))
 ASSI {  387}
   (( segid A    and resid 18   and name HA  ))
   (( segid A    and resid 67   and name HN  ))
      3.500     1.500     1.500 peak   387 spectrum    1 weight  0.11000E+01 volume  0.16497E-02 ppm1      5.708 ppm2      8.563 CV     1
 OR {  387}
   (( segid B    and resid 18   and name HA  ))
   (( segid B    and resid 67   and name HN  ))
 ASSI {  390}
   (( segid A    and resid 19   and name HA  ))
   (( segid A    and resid 93   and name HA  ))
      1.800     0.400     0.400 peak   390 spectrum    1 weight  0.11000E+01 volume  0.23032E-01 ppm1      5.266 ppm2      5.183 CV     1
 OR {  390}
   (( segid B    and resid 19   and name HA  ))
   (( segid B    and resid 93   and name HA  ))
 ASSI {  392}
   (( segid A    and resid 19   and name HB1 ))
   (( segid A    and resid 19   and name HA  ))
      2.700     0.900     0.900 peak   392 spectrum    1 weight  0.11000E+01 volume  0.23985E-02 ppm1      2.653 ppm2      5.260 CV     1
 OR {  392}
   (( segid B    and resid 19   and name HB1 ))
   (( segid B    and resid 19   and name HA  ))
 ASSI {  394}
   (( segid A    and resid 19   and name HB2 ))
   (( segid A    and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   394 spectrum    1 weight  0.11000E+01 volume  0.90016E-03 ppm1      2.938 ppm2      5.685 CV     1
 OR {  394}
   (( segid B    and resid 19   and name HB2 ))
   (( segid B    and resid 18   and name HA  ))
 ASSI {  395}
   (( segid B    and resid 19   and name HB2 ))
   (( segid B    and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   395 spectrum    1 weight  0.11000E+01 volume  0.78086E-02 ppm1      2.939 ppm2      5.260 CV     1
 OR {  395}
   (( segid A    and resid 19   and name HB2 ))
   (( segid A    and resid 19   and name HA  ))
 ASSI {  397}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 65   and name HN  ))
      2.900     1.100     1.100 peak   397 spectrum    1 weight  0.11000E+01 volume  0.14494E-02 ppm1      9.411 ppm2      9.561 CV     1
 OR {  397}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 65   and name HN  ))
 ASSI {  398}
   (( segid B    and resid 20   and name HA  ))
   (( segid B    and resid 21   and name HN  ))
      2.300     0.700     0.700 peak   398 spectrum    1 weight  0.11000E+01 volume  0.54234E-02 ppm1      5.924 ppm2      8.749 CV     1
 OR {  398}
   (( segid A    and resid 20   and name HA  ))
   (( segid A    and resid 21   and name HN  ))
 ASSI {  399}
   (( segid A    and resid 20   and name HA  ))
   (( segid A    and resid 64   and name HA  ))
      2.100     0.600     0.600 peak   399 spectrum    1 weight  0.11000E+01 volume  0.82471E-02 ppm1      5.911 ppm2      5.406 CV     1
 OR {  399}
   (( segid B    and resid 20   and name HA  ))
   (( segid B    and resid 64   and name HA  ))
 ASSI {  400}
   (( segid A    and resid 20   and name HA  ))
   (( segid A    and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   400 spectrum    1 weight  0.11000E+01 volume  0.18872E-02 ppm1      5.898 ppm2      9.564 CV     1
 OR {  400}
   (( segid B    and resid 20   and name HA  ))
   (( segid B    and resid 65   and name HN  ))
 ASSI {  401}
   (( segid A    and resid 21   and name HA  ))
   (  segid A    and resid 21   and name HD% )
      3.100     1.200     1.200 peak   401 spectrum    1 weight  0.11000E+01 volume  0.28114E-02 ppm1      5.498 ppm2      6.724 CV     1
 OR {  401}
   (( segid B    and resid 21   and name HA  ))
   (  segid B    and resid 21   and name HD% )
 ASSI {  402}
   (( segid B    and resid 21   and name HA  ))
   (( segid B    and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   402 spectrum    1 weight  0.11000E+01 volume  0.41663E-02 ppm1      5.481 ppm2      8.677 CV     1
 OR {  402}
   (( segid A    and resid 21   and name HA  ))
   (( segid A    and resid 22   and name HN  ))
 ASSI {  403}
   (( segid B    and resid 21   and name HB1 ))
   (( segid B    and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   403 spectrum    1 weight  0.11000E+01 volume  0.36438E-02 ppm1      2.481 ppm2      5.463 CV     1
 OR {  403}
   (( segid A    and resid 21   and name HB1 ))
   (( segid A    and resid 21   and name HA  ))
 ASSI {  404}
   (( segid A    and resid 21   and name HB1 ))
   (  segid A    and resid 21   and name HD% )
      2.300     0.700     0.700 peak   404 spectrum    1 weight  0.11000E+01 volume  0.65768E-02 ppm1      2.482 ppm2      6.724 CV     1
 OR {  404}
   (( segid B    and resid 21   and name HB1 ))
   (  segid B    and resid 21   and name HD% )
 ASSI {  405}
   (( segid A    and resid 21   and name HB1 ))
   (( segid A    and resid 22   and name HN  ))
      3.800     1.800     1.800 peak   405 spectrum    1 weight  0.11000E+01 volume  0.13219E-02 ppm1      2.484 ppm2      8.675 CV     1
 OR {  405}
   (( segid B    and resid 21   and name HB1 ))
   (( segid B    and resid 22   and name HN  ))
 ASSI {  406}
   (( segid B    and resid 21   and name HB1 ))
   (( segid B    and resid 64   and name HA  ))
      2.700     2.700     3.300 peak   406 spectrum    1 weight  0.11000E+01 volume  0.59453E-02 ppm1      2.465 ppm2      5.413 CV     1
 OR {  406}
   (( segid A    and resid 21   and name HB1 ))
   (( segid A    and resid 64   and name HA  ))
 ASSI {  407}
   (( segid A    and resid 21   and name HB2 ))
   (( segid A    and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   407 spectrum    1 weight  0.11000E+01 volume  0.44408E-02 ppm1      3.073 ppm2      5.463 CV     1
 OR {  407}
   (( segid B    and resid 21   and name HB2 ))
   (( segid B    and resid 21   and name HA  ))
 ASSI {  408}
   (( segid B    and resid 21   and name HB2 ))
   (  segid B    and resid 21   and name HD% )
      2.300     0.700     0.700 peak   408 spectrum    1 weight  0.11000E+01 volume  0.63955E-02 ppm1      3.064 ppm2      6.722 CV     1
 OR {  408}
   (( segid A    and resid 21   and name HB2 ))
   (  segid A    and resid 21   and name HD% )
 ASSI {  409}
   (( segid B    and resid 21   and name HB2 ))
   (( segid B    and resid 22   and name HN  ))
      2.900     1.100     1.100 peak   409 spectrum    1 weight  0.11000E+01 volume  0.17553E-02 ppm1      3.066 ppm2      8.674 CV     1
 OR {  409}
   (( segid A    and resid 21   and name HB2 ))
   (( segid A    and resid 22   and name HN  ))
 ASSI {  410}
   (( segid A    and resid 21   and name HB2 ))
   (( segid A    and resid 64   and name HA  ))
      2.700     2.700     3.300 peak   410 spectrum    1 weight  0.11000E+01 volume  0.91380E-02 ppm1      3.027 ppm2      5.406 CV     1
 OR {  410}
   (( segid B    and resid 21   and name HB2 ))
   (( segid B    and resid 64   and name HA  ))
 ASSI {  415}
   (  segid B    and resid 21   and name HD% )
   (( segid B    and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   415 spectrum    1 weight  0.11000E+01 volume  0.15599E-02 ppm1      6.755 ppm2      5.708 CV     1
 OR {  415}
   (  segid A    and resid 21   and name HD% )
   (( segid A    and resid 22   and name HA  ))
 ASSI {  416}
   (  segid B    and resid 21   and name HD% )
   (  segid B    and resid 88   and name HG2%)
      2.300     0.700     0.700 peak   416 spectrum    1 weight  0.11000E+01 volume  0.84446E-02 ppm1      6.745 ppm2      0.210 CV     1
 OR {  416}
   (  segid A    and resid 21   and name HD% )
   (  segid A    and resid 88   and name HG2%)
 ASSI {  419}
   (  segid A    and resid 21   and name HE% )
   (( segid A    and resid 85   and name HE1 ))
      2.700     0.900     0.900 peak   419 spectrum    1 weight  0.11000E+01 volume  0.35165E-02 ppm1      6.696 ppm2      7.173 CV     1
 OR {  419}
   (  segid B    and resid 21   and name HE% )
   (( segid B    and resid 85   and name HE1 ))
 ASSI {  421}
   (( segid A    and resid 22   and name HA  ))
   (( segid A    and resid 62   and name HA  ))
      2.400     0.700     0.700 peak   421 spectrum    1 weight  0.11000E+01 volume  0.58062E-02 ppm1      5.731 ppm2      5.285 CV     1
 OR {  421}
   (( segid B    and resid 22   and name HA  ))
   (( segid B    and resid 62   and name HA  ))
 ASSI {  422}
   (( segid B    and resid 22   and name HB2 ))
   (( segid B    and resid 22   and name HA  ))
      3.400     1.400     1.400 peak   422 spectrum    1 weight  0.11000E+01 volume  0.74401E-03 ppm1      1.830 ppm2      5.708 CV     1
 OR {  422}
   (( segid A    and resid 22   and name HB2 ))
   (( segid A    and resid 22   and name HA  ))
 ASSI {  425}
   (( segid B    and resid 23   and name HB1 ))
   (( segid B    and resid 23   and name HA  ))
      2.100     0.600     0.600 peak   425 spectrum    1 weight  0.11000E+01 volume  0.12746E-01 ppm1      3.699 ppm2      5.103 CV     1
 OR {  425}
   (( segid A    and resid 23   and name HB1 ))
   (( segid A    and resid 23   and name HA  ))
 ASSI {  426}
   (( segid A    and resid 23   and name HB2 ))
   (( segid A    and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   426 spectrum    1 weight  0.11000E+01 volume  0.72672E-02 ppm1      3.817 ppm2      5.102 CV     1
 OR {  426}
   (( segid B    and resid 23   and name HB2 ))
   (( segid B    and resid 23   and name HA  ))
 ASSI {  428}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 23   and name HA  ))
      2.900     1.000     1.000 peak   428 spectrum    1 weight  0.11000E+01 volume  0.18827E-02 ppm1      9.675 ppm2      5.099 CV     1
 OR {  428}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 23   and name HA  ))
 ASSI {  430}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 62   and name HA  ))
      3.300     1.400     1.400 peak   430 spectrum    1 weight  0.11000E+01 volume  0.10984E-02 ppm1      9.672 ppm2      5.283 CV     1
 OR {  430}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 62   and name HA  ))
 ASSI {  431}
   (( segid B    and resid 24   and name HA  ))
   (( segid B    and resid 60   and name HA  ))
      2.300     0.700     0.700 peak   431 spectrum    1 weight  0.11000E+01 volume  0.64661E-02 ppm1      5.122 ppm2      4.816 CV     1
 OR {  431}
   (( segid A    and resid 24   and name HA  ))
   (( segid A    and resid 60   and name HA  ))
 ASSI {  432}
   (( segid A    and resid 24   and name HG  ))
   (( segid A    and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   432 spectrum    1 weight  0.11000E+01 volume  0.33487E-02 ppm1      1.750 ppm2      5.103 CV     1
 OR {  432}
   (( segid B    and resid 24   and name HG  ))
   (( segid B    and resid 24   and name HA  ))
 ASSI {  434}
   (( segid B    and resid 25   and name HA  ))
   (  segid B    and resid 61   and name HD% )
      3.100     1.200     1.200 peak   434 spectrum    1 weight  0.11000E+01 volume  0.13161E-02 ppm1      4.666 ppm2      7.704 CV     1
 OR {  434}
   (( segid A    and resid 25   and name HA  ))
   (  segid A    and resid 61   and name HD% )
 ASSI {  435}
   (( segid B    and resid 25   and name HA  ))
   (  segid B    and resid 61   and name HE% )
      2.800     1.000     1.000 peak   435 spectrum    1 weight  0.11000E+01 volume  0.27793E-02 ppm1      4.661 ppm2      7.265 CV     1
 OR {  435}
   (( segid A    and resid 25   and name HA  ))
   (  segid A    and resid 61   and name HE% )
 ASSI {  437}
   (  segid A    and resid 25   and name HB% )
   (  segid A    and resid 56   and name HE% )
      2.200     0.600     0.600 peak   437 spectrum    1 weight  0.11000E+01 volume  0.10171E-01 ppm1      1.300 ppm2      6.392 CV     1
 OR {  437}
   (  segid B    and resid 25   and name HB% )
   (  segid B    and resid 56   and name HE% )
 ASSI {  438}
   (  segid B    and resid 25   and name HB% )
   (( segid B    and resid 61   and name HZ  ))
      3.000     1.100     1.100 peak   438 spectrum    1 weight  0.11000E+01 volume  0.25449E-02 ppm1      1.273 ppm2      6.924 CV     1
 OR {  438}
   (  segid A    and resid 25   and name HB% )
   (( segid A    and resid 61   and name HZ  ))
 ASSI {  439}
   (  segid A    and resid 25   and name HB% )
   (  segid A    and resid 61   and name HD% )
      2.900     1.000     1.000 peak   439 spectrum    1 weight  0.11000E+01 volume  0.25131E-02 ppm1      1.279 ppm2      7.703 CV     1
 OR {  439}
   (  segid B    and resid 25   and name HB% )
   (  segid B    and resid 61   and name HD% )
 ASSI {  440}
   (  segid A    and resid 25   and name HB% )
   (  segid A    and resid 61   and name HE% )
      2.700     0.900     0.900 peak   440 spectrum    1 weight  0.11000E+01 volume  0.41418E-02 ppm1      1.285 ppm2      7.267 CV     1
 OR {  440}
   (  segid B    and resid 25   and name HB% )
   (  segid B    and resid 61   and name HE% )
 ASSI {  442}
   (( segid B    and resid 30   and name HB  ))
   (( segid B    and resid 30   and name HA  ))
      1.900     0.500     0.500 peak   442 spectrum    1 weight  0.11000E+01 volume  0.26032E-01 ppm1      4.763 ppm2      4.840 CV     1
 OR {  442}
   (( segid A    and resid 30   and name HB  ))
   (( segid A    and resid 30   and name HA  ))
 ASSI {  443}
   (  segid B    and resid 30   and name HG2%)
   (( segid B    and resid 30   and name HA  ))
      2.100     0.500     0.500 peak   443 spectrum    1 weight  0.11000E+01 volume  0.16985E-01 ppm1      1.465 ppm2      4.841 CV     1
 OR {  443}
   (  segid A    and resid 30   and name HG2%)
   (( segid A    and resid 30   and name HA  ))
 ASSI {  444}
   (  segid B    and resid 30   and name HG2%)
   (( segid B    and resid 30   and name HB  ))
      1.900     0.500     0.500 peak   444 spectrum    1 weight  0.11000E+01 volume  0.25578E-01 ppm1      1.462 ppm2      4.744 CV     1
 OR {  444}
   (  segid A    and resid 30   and name HG2%)
   (( segid A    and resid 30   and name HB  ))
 ASSI {  445}
   (( segid B    and resid 34   and name HA  ))
   (( segid B    and resid 34   and name HN  ))
      2.800     0.900     0.900 peak   445 spectrum    1 weight  0.11000E+01 volume  0.26526E-02 ppm1      4.042 ppm2      7.647 CV     1
 OR {  445}
   (( segid A    and resid 34   and name HA  ))
   (( segid A    and resid 34   and name HN  ))
 ASSI {  446}
   (( segid B    and resid 34   and name HA  ))
   (  segid B    and resid 37   and name HD1%)
      2.500     0.800     0.800 peak   446 spectrum    1 weight  0.11000E+01 volume  0.48515E-02 ppm1      4.029 ppm2      0.442 CV     1
 OR {  446}
   (( segid A    and resid 34   and name HA  ))
   (  segid A    and resid 37   and name HD1%)
 ASSI {  448}
   (  segid B    and resid 34   and name HD1%)
   (( segid B    and resid 61   and name HZ  ))
      2.600     0.800     0.800 peak   448 spectrum    1 weight  0.11000E+01 volume  0.49082E-02 ppm1      0.746 ppm2      6.924 CV     1
 OR {  448}
   (  segid A    and resid 34   and name HD1%)
   (( segid A    and resid 61   and name HZ  ))
 ASSI {  449}
   (  segid B    and resid 34   and name HD1%)
   (  segid B    and resid 61   and name HE% )
      2.600     0.800     0.800 peak   449 spectrum    1 weight  0.11000E+01 volume  0.43181E-02 ppm1      0.744 ppm2      7.266 CV     1
 OR {  449}
   (  segid A    and resid 34   and name HD1%)
   (  segid A    and resid 61   and name HE% )
 ASSI {  450}
   (( segid A    and resid 35   and name HA  ))
   (( segid A    and resid 35   and name HN  ))
      3.100     1.200     1.200 peak   450 spectrum    1 weight  0.11000E+01 volume  0.13492E-02 ppm1      4.018 ppm2      8.568 CV     1
 OR {  450}
   (( segid B    and resid 35   and name HA  ))
   (( segid B    and resid 35   and name HN  ))
 ASSI {  452}
   (( segid A    and resid 37   and name HG11))
   (  segid A    and resid 37   and name HD1%)
      2.500     0.800     0.800 peak   452 spectrum    1 weight  0.11000E+01 volume  0.51521E-02 ppm1      0.212 ppm2      0.439 CV     1
 OR {  452}
   (( segid B    and resid 37   and name HG11))
   (  segid B    and resid 37   and name HD1%)
 ASSI {  453}
   (( segid B    and resid 37   and name HG11))
   (( segid B    and resid 501  and name H9  ))
      3.200     1.300     1.300 peak   453 spectrum    1 weight  0.11000E+01 volume  0.15177E-02 ppm1      0.212 ppm2      7.966 CV     1
 OR {  453}
   (( segid A    and resid 37   and name HG11))
   (( segid A    and resid 501  and name H9  ))
 ASSI {  454}
   (( segid A    and resid 37   and name HG12))
   (( segid A    and resid 37   and name HG11))
      2.100     0.500     0.500 peak   454 spectrum    1 weight  0.11000E+01 volume  0.60126E-02 ppm1      2.009 ppm2      0.191 CV     1
 OR {  454}
   (( segid B    and resid 37   and name HG12))
   (( segid B    and resid 37   and name HG11))
 ASSI {  455}
   (( segid B    and resid 37   and name HG12))
   (  segid B    and resid 37   and name HD1%)
      2.400     0.700     0.700 peak   455 spectrum    1 weight  0.11000E+01 volume  0.64816E-02 ppm1      2.004 ppm2      0.442 CV     1
 OR {  455}
   (( segid A    and resid 37   and name HG12))
   (  segid A    and resid 37   and name HD1%)
 ASSI {  458}
   (  segid B    and resid 37   and name HD1%)
   (( segid B    and resid 61   and name HZ  ))
      2.700     2.700     3.300 peak   458 spectrum    1 weight  0.11000E+01 volume  0.35549E-02 ppm1      0.468 ppm2      6.925 CV     1
 OR {  458}
   (  segid A    and resid 37   and name HD1%)
   (( segid A    and resid 61   and name HZ  ))
 ASSI {  459}
   (  segid B    and resid 37   and name HD1%)
   (  segid B    and resid 61   and name HE% )
      2.900     2.900     3.100 peak   459 spectrum    1 weight  0.11000E+01 volume  0.23702E-02 ppm1      0.464 ppm2      7.266 CV     1
 OR {  459}
   (  segid A    and resid 37   and name HD1%)
   (  segid A    and resid 61   and name HE% )
 ASSI {  460}
   (  segid B    and resid 37   and name HD1%)
   (( segid B    and resid 501  and name H9  ))
      3.000     3.000     3.000 peak   460 spectrum    1 weight  0.11000E+01 volume  0.18423E-02 ppm1      0.476 ppm2      7.967 CV     1
 OR {  460}
   (  segid A    and resid 37   and name HD1%)
   (( segid A    and resid 501  and name H9  ))
 ASSI {  461}
   (  segid B    and resid 37   and name HD1%)
   (  segid B    and resid 501  and name HM7%)
      3.100     1.200     1.200 peak   461 spectrum    1 weight  0.11000E+01 volume  0.24244E-02 ppm1      0.457 ppm2      1.219 CV     1
 OR {  461}
   (  segid A    and resid 37   and name HD1%)
   (  segid A    and resid 501  and name HM7%)
 ASSI {  465}
   (  segid A    and resid 37   and name HG2%)
   (( segid A    and resid 37   and name HG11))
      3.300     1.400     1.400 peak   465 spectrum    1 weight  0.11000E+01 volume  0.22604E-02 ppm1     -0.655 ppm2      0.179 CV     1
 OR {  465}
   (  segid B    and resid 37   and name HG2%)
   (( segid B    and resid 37   and name HG11))
 ASSI {  466}
   (  segid B    and resid 37   and name HG2%)
   (  segid B    and resid 37   and name HD1%)
      2.200     0.600     0.600 peak   466 spectrum    1 weight  0.11000E+01 volume  0.10093E-01 ppm1     -0.654 ppm2      0.446 CV     1
 OR {  466}
   (  segid A    and resid 37   and name HG2%)
   (  segid A    and resid 37   and name HD1%)
 ASSI {  467}
   (  segid A    and resid 37   and name HG2%)
   (( segid A    and resid 38   and name HA  ))
      3.300     1.300     1.300 peak   467 spectrum    1 weight  0.11000E+01 volume  0.12434E-02 ppm1     -0.655 ppm2      3.535 CV     1
 OR {  467}
   (  segid B    and resid 37   and name HG2%)
   (( segid B    and resid 38   and name HA  ))
 ASSI {  468}
   (  segid B    and resid 37   and name HG2%)
   (( segid B    and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   468 spectrum    1 weight  0.11000E+01 volume  0.19468E-02 ppm1     -0.651 ppm2      8.439 CV     1
 OR {  468}
   (  segid A    and resid 37   and name HG2%)
   (( segid A    and resid 38   and name HN  ))
 ASSI {  469}
   (  segid B    and resid 37   and name HG2%)
   (( segid B    and resid 501  and name H9  ))
      3.000     3.000     3.000 peak   469 spectrum    1 weight  0.11000E+01 volume  0.24626E-02 ppm1     -0.648 ppm2      7.968 CV     1
 OR {  469}
   (  segid A    and resid 37   and name HG2%)
   (( segid A    and resid 501  and name H9  ))
 ASSI {  470}
   (( segid B    and resid 38   and name HA  ))
   (( segid B    and resid 38   and name HN  ))
      3.100     1.200     1.200 peak   470 spectrum    1 weight  0.11000E+01 volume  0.12121E-02 ppm1      3.580 ppm2      8.437 CV     1
 OR {  470}
   (( segid A    and resid 38   and name HA  ))
   (( segid A    and resid 38   and name HN  ))
 ASSI {  471}
   (( segid B    and resid 38   and name HB  ))
   (( segid B    and resid 38   and name HN  ))
      2.600     0.800     0.800 peak   471 spectrum    1 weight  0.11000E+01 volume  0.32991E-02 ppm1      2.398 ppm2      8.433 CV     1
 OR {  471}
   (( segid A    and resid 38   and name HB  ))
   (( segid A    and resid 38   and name HN  ))
 ASSI {  472}
   (  segid B    and resid 38   and name HG1%)
   (( segid B    and resid 37   and name HN  ))
      3.200     1.300     1.300 peak   472 spectrum    1 weight  0.11000E+01 volume  0.30431E-02 ppm1      1.201 ppm2      7.889 CV     1
 OR {  472}
   (  segid A    and resid 38   and name HG1%)
   (( segid A    and resid 37   and name HN  ))
 ASSI {  474}
   (( segid B    and resid 44   and name HA  ))
   (( segid B    and resid 44   and name HD2 ))
      3.500     1.600     1.600 peak   474 spectrum    1 weight  0.11000E+01 volume  0.68053E-03 ppm1      4.205 ppm2      7.150 CV     1
 OR {  474}
   (( segid A    and resid 44   and name HA  ))
   (( segid A    and resid 44   and name HD2 ))
 ASSI {  475}
   (( segid B    and resid 44   and name HB1 ))
   (( segid B    and resid 44   and name HD2 ))
      2.900     1.100     1.100 peak   475 spectrum    1 weight  0.11000E+01 volume  0.21954E-02 ppm1      3.210 ppm2      7.150 CV     1
 OR {  475}
   (( segid A    and resid 44   and name HB1 ))
   (( segid A    and resid 44   and name HD2 ))
 ASSI {  476}
   (( segid B    and resid 44   and name HB2 ))
   (( segid B    and resid 44   and name HD2 ))
      3.000     1.100     1.100 peak   476 spectrum    1 weight  0.11000E+01 volume  0.23990E-02 ppm1      3.354 ppm2      7.145 CV     1
 OR {  476}
   (( segid A    and resid 44   and name HB2 ))
   (( segid A    and resid 44   and name HD2 ))
 ASSI {  477}
   (  segid B    and resid 48   and name HB% )
   (( segid B    and resid 44   and name HD2 ))
      2.600     0.900     0.900 peak   477 spectrum    1 weight  0.11000E+01 volume  0.42304E-02 ppm1      1.135 ppm2      7.156 CV     1
 OR {  477}
   (  segid A    and resid 48   and name HB% )
   (( segid A    and resid 44   and name HD2 ))
 ASSI {  478}
   (( segid B    and resid 50   and name HA  ))
   (( segid B    and resid 51   and name HN  ))
      2.300     0.600     0.600 peak   478 spectrum    1 weight  0.11000E+01 volume  0.76471E-02 ppm1      5.601 ppm2      8.763 CV     1
 OR {  478}
   (( segid A    and resid 50   and name HA  ))
   (( segid A    and resid 51   and name HN  ))
 ASSI {  479}
   (  segid B    and resid 50   and name HD1%)
   (( segid B    and resid 50   and name HA  ))
      2.500     0.800     0.800 peak   479 spectrum    1 weight  0.11000E+01 volume  0.79402E-02 ppm1      0.922 ppm2      5.576 CV     1
 OR {  479}
   (  segid A    and resid 50   and name HD1%)
   (( segid A    and resid 50   and name HA  ))
 ASSI {  480}
   (( segid A    and resid 50   and name HB1 ))
   (( segid A    and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.11000E+01 volume  0.23271E-02 ppm1      1.595 ppm2      5.576 CV     1
 OR {  480}
   (( segid B    and resid 50   and name HB2 ))
   (( segid B    and resid 50   and name HA  ))
 OR {  480}
   (( segid A    and resid 50   and name HB2 ))
   (( segid A    and resid 50   and name HA  ))
 OR {  480}
   (( segid B    and resid 50   and name HB1 ))
   (( segid B    and resid 50   and name HA  ))
 ASSI {  483}
   (  segid A    and resid 51   and name HG2%)
   (( segid A    and resid 51   and name HA  ))
      1.900     0.500     0.500 peak   483 spectrum    1 weight  0.11000E+01 volume  0.25478E-01 ppm1      1.184 ppm2      4.819 CV     1
 OR {  483}
   (  segid B    and resid 51   and name HG2%)
   (( segid B    and resid 51   and name HA  ))
 ASSI {  485}
   (( segid B    and resid 52   and name HA2 ))
   (( segid B    and resid 53   and name HN  ))
      3.300     1.400     1.400 peak   485 spectrum    1 weight  0.11000E+01 volume  0.93557E-03 ppm1      5.400 ppm2      7.946 CV     1
 OR {  485}
   (( segid A    and resid 52   and name HA2 ))
   (( segid A    and resid 53   and name HN  ))
 OR {  485}
   (( segid B    and resid 52   and name HA1 ))
   (( segid B    and resid 53   and name HN  ))
 ASSI {  486}
   (( segid B    and resid 53   and name HN  ))
   (( segid B    and resid 64   and name HE3 ))
      3.100     1.200     1.200 peak   486 spectrum    1 weight  0.11000E+01 volume  0.14095E-02 ppm1      7.963 ppm2      7.799 CV     1
 OR {  486}
   (( segid A    and resid 53   and name HN  ))
   (( segid A    and resid 64   and name HE3 ))
 ASSI {  487}
   (  segid A    and resid 53   and name HB% )
   (( segid A    and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   487 spectrum    1 weight  0.11000E+01 volume  0.67551E-02 ppm1      0.609 ppm2      4.168 CV     1
 OR {  487}
   (  segid B    and resid 53   and name HB% )
   (( segid B    and resid 53   and name HA  ))
 ASSI {  488}
   (  segid A    and resid 53   and name HB% )
   (  segid A    and resid 55   and name HD% )
      3.200     1.300     1.300 peak   488 spectrum    1 weight  0.11000E+01 volume  0.16482E-02 ppm1      0.587 ppm2      7.344 CV     1
 OR {  488}
   (  segid B    and resid 53   and name HB% )
   (  segid B    and resid 55   and name HD% )
 ASSI {  489}
   (  segid B    and resid 53   and name HB% )
   (  segid B    and resid 62   and name HD% )
      3.000     3.000     3.000 peak   489 spectrum    1 weight  0.11000E+01 volume  0.20445E-02 ppm1      0.588 ppm2      6.960 CV     1
 OR {  489}
   (  segid A    and resid 53   and name HB% )
   (  segid A    and resid 62   and name HD% )
 ASSI {  490}
   (  segid B    and resid 53   and name HB% )
   (( segid B    and resid 64   and name HE3 ))
      3.000     1.100     1.100 peak   490 spectrum    1 weight  0.11000E+01 volume  0.20600E-02 ppm1      0.604 ppm2      7.798 CV     1
 OR {  490}
   (  segid A    and resid 53   and name HB% )
   (( segid A    and resid 64   and name HE3 ))
 ASSI {  491}
   (  segid B    and resid 53   and name HB% )
   (( segid B    and resid 101  and name HZ  ))
      3.400     1.400     1.400 peak   491 spectrum    1 weight  0.11000E+01 volume  0.12352E-02 ppm1      0.600 ppm2      6.596 CV     1
 OR {  491}
   (  segid A    and resid 53   and name HB% )
   (( segid A    and resid 101  and name HZ  ))
 ASSI {  492}
   (  segid B    and resid 53   and name HB% )
   (  segid B    and resid 101  and name HD% )
      3.100     1.200     1.200 peak   492 spectrum    1 weight  0.11000E+01 volume  0.17379E-02 ppm1      0.611 ppm2      7.246 CV     1
 OR {  492}
   (  segid A    and resid 53   and name HB% )
   (  segid A    and resid 101  and name HD% )
 ASSI {  493}
   (  segid B    and resid 53   and name HB% )
   (  segid B    and resid 101  and name HE% )
      2.500     0.800     0.800 peak   493 spectrum    1 weight  0.11000E+01 volume  0.53317E-02 ppm1      0.620 ppm2      6.848 CV     1
 OR {  493}
   (  segid A    and resid 53   and name HB% )
   (  segid A    and resid 101  and name HE% )
 ASSI {  494}
   (( segid B    and resid 54   and name HA  ))
   (( segid B    and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   494 spectrum    1 weight  0.11000E+01 volume  0.42677E-02 ppm1      5.286 ppm2     10.036 CV     1
 OR {  494}
   (( segid A    and resid 54   and name HA  ))
   (( segid A    and resid 55   and name HN  ))
 ASSI {  495}
   (( segid A    and resid 54   and name HA  ))
   (  segid A    and resid 55   and name HD% )
      2.900     1.000     1.000 peak   495 spectrum    1 weight  0.11000E+01 volume  0.26919E-02 ppm1      5.280 ppm2      7.338 CV     1
 OR {  495}
   (( segid B    and resid 54   and name HA  ))
   (  segid B    and resid 55   and name HD% )
 ASSI {  496}
   (( segid A    and resid 55   and name HA  ))
   (( segid A    and resid 55   and name HN  ))
      2.900     1.100     1.100 peak   496 spectrum    1 weight  0.11000E+01 volume  0.17766E-02 ppm1      5.747 ppm2     10.030 CV     1
 OR {  496}
   (( segid B    and resid 55   and name HA  ))
   (( segid B    and resid 55   and name HN  ))
 ASSI {  497}
   (( segid B    and resid 55   and name HA  ))
   (  segid B    and resid 55   and name HD% )
      3.200     1.300     1.300 peak   497 spectrum    1 weight  0.11000E+01 volume  0.13622E-02 ppm1      5.735 ppm2      7.351 CV     1
 OR {  497}
   (( segid A    and resid 55   and name HA  ))
   (  segid A    and resid 55   and name HD% )
 ASSI {  501}
   (( segid A    and resid 55   and name HN  ))
   (( segid A    and resid 62   and name HN  ))
      3.500     3.500     2.500 peak   501 spectrum    1 weight  0.11000E+01 volume  0.63991E-03 ppm1     10.057 ppm2      8.950 CV     1
 OR {  501}
   (( segid B    and resid 55   and name HN  ))
   (( segid B    and resid 62   and name HN  ))
 ASSI {  503}
   (( segid B    and resid 55   and name HB1 ))
   (( segid B    and resid 55   and name HA  ))
      2.700     2.700     3.300 peak   503 spectrum    1 weight  0.11000E+01 volume  0.30219E-02 ppm1      3.091 ppm2      5.718 CV     1
 OR {  503}
   (( segid A    and resid 55   and name HB1 ))
   (( segid A    and resid 55   and name HA  ))
 OR {  503}
   (( segid B    and resid 55   and name HB2 ))
   (( segid B    and resid 55   and name HA  ))
 ASSI {  504}
   (( segid B    and resid 55   and name HB2 ))
   (( segid B    and resid 55   and name HN  ))
      3.600     3.600     2.400 peak   504 spectrum    1 weight  0.11000E+01 volume  0.55370E-03 ppm1      3.086 ppm2     10.022 CV     1
 OR {  504}
   (( segid A    and resid 55   and name HB2 ))
   (( segid A    and resid 55   and name HN  ))
 OR {  504}
   (( segid B    and resid 55   and name HB1 ))
   (( segid B    and resid 55   and name HN  ))
 ASSI {  505}
   (( segid B    and resid 55   and name HB1 ))
   (  segid B    and resid 55   and name HD% )
      2.700     2.700     3.300 peak   505 spectrum    1 weight  0.11000E+01 volume  0.30866E-02 ppm1      3.095 ppm2      7.343 CV     1
 OR {  505}
   (( segid A    and resid 55   and name HB1 ))
   (  segid A    and resid 55   and name HD% )
 OR {  505}
   (( segid B    and resid 55   and name HB2 ))
   (  segid B    and resid 55   and name HD% )
 OR {  505}
   (( segid A    and resid 55   and name HB2 ))
   (  segid A    and resid 55   and name HD% )
 ASSI {  508}
   (  segid B    and resid 55   and name HD% )
   (( segid B    and resid 55   and name HN  ))
      3.000     1.100     1.100 peak   508 spectrum    1 weight  0.11000E+01 volume  0.16450E-02 ppm1      7.363 ppm2     10.028 CV     1
 OR {  508}
   (  segid A    and resid 55   and name HD% )
   (( segid A    and resid 55   and name HN  ))
 ASSI {  510}
   (  segid A    and resid 55   and name HD% )
   (( segid A    and resid 64   and name HZ3 ))
      3.300     1.400     1.400 peak   510 spectrum    1 weight  0.11000E+01 volume  0.16976E-02 ppm1      7.368 ppm2      7.087 CV     1
 OR {  510}
   (  segid B    and resid 55   and name HD% )
   (( segid B    and resid 64   and name HZ3 ))
 ASSI {  511}
   (  segid A    and resid 55   and name HE% )
   (( segid A    and resid 55   and name HZ  ))
      2.300     0.600     0.600 peak   511 spectrum    1 weight  0.11000E+01 volume  0.94509E-02 ppm1      7.190 ppm2      6.858 CV     1
 OR {  511}
   (  segid B    and resid 55   and name HE% )
   (( segid B    and resid 55   and name HZ  ))
 ASSI {  512}
   (  segid A    and resid 55   and name HE% )
   (  segid A    and resid 55   and name HD% )
      1.800     0.400     0.400 peak   512 spectrum    1 weight  0.11000E+01 volume  0.31396E-01 ppm1      7.214 ppm2      7.344 CV     1
 OR {  512}
   (  segid B    and resid 55   and name HE% )
   (  segid B    and resid 55   and name HD% )
 ASSI {  513}
   (  segid B    and resid 55   and name HE% )
   (( segid B    and resid 64   and name HZ3 ))
      2.100     0.600     0.600 peak   513 spectrum    1 weight  0.11000E+01 volume  0.13114E-01 ppm1      7.202 ppm2      7.087 CV     1
 OR {  513}
   (  segid A    and resid 55   and name HE% )
   (( segid A    and resid 64   and name HZ3 ))
 ASSI {  514}
   (( segid B    and resid 56   and name HA  ))
   (  segid B    and resid 56   and name HD% )
      2.800     1.000     1.000 peak   514 spectrum    1 weight  0.11000E+01 volume  0.31337E-02 ppm1      5.551 ppm2      6.537 CV     1
 OR {  514}
   (( segid A    and resid 56   and name HA  ))
   (  segid A    and resid 56   and name HD% )
 ASSI {  515}
   (( segid A    and resid 56   and name HA  ))
   (( segid A    and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.11000E+01 volume  0.41704E-02 ppm1      5.551 ppm2      5.987 CV     1
 OR {  515}
   (( segid B    and resid 56   and name HA  ))
   (( segid B    and resid 61   and name HA  ))
 ASSI {  516}
   (( segid A    and resid 56   and name HA  ))
   (  segid A    and resid 61   and name HD% )
      2.800     1.000     1.000 peak   516 spectrum    1 weight  0.11000E+01 volume  0.29724E-02 ppm1      5.538 ppm2      7.704 CV     1
 OR {  516}
   (( segid B    and resid 56   and name HA  ))
   (  segid B    and resid 61   and name HD% )
 ASSI {  517}
   (( segid B    and resid 56   and name HB1 ))
   (  segid B    and resid 56   and name HD% )
      2.500     0.800     0.800 peak   517 spectrum    1 weight  0.11000E+01 volume  0.53289E-02 ppm1      2.846 ppm2      6.537 CV     1
 OR {  517}
   (( segid A    and resid 56   and name HB1 ))
   (  segid A    and resid 56   and name HD% )
 ASSI {  518}
   (( segid B    and resid 56   and name HB1 ))
   (  segid B    and resid 56   and name HE% )
      3.900     1.900     1.900 peak   518 spectrum    1 weight  0.11000E+01 volume  0.10955E-02 ppm1      2.850 ppm2      6.391 CV     1
 OR {  518}
   (( segid A    and resid 56   and name HB1 ))
   (  segid A    and resid 56   and name HE% )
 ASSI {  519}
   (( segid B    and resid 56   and name HB1 ))
   (  segid B    and resid 61   and name HD% )
      3.300     1.400     1.400 peak   519 spectrum    1 weight  0.11000E+01 volume  0.28255E-02 ppm1      2.846 ppm2      7.706 CV     1
 OR {  519}
   (( segid A    and resid 56   and name HB1 ))
   (  segid A    and resid 61   and name HD% )
 ASSI {  520}
   (( segid B    and resid 56   and name HB1 ))
   (  segid B    and resid 61   and name HE% )
      3.300     1.400     1.400 peak   520 spectrum    1 weight  0.11000E+01 volume  0.26707E-02 ppm1      2.851 ppm2      7.268 CV     1
 OR {  520}
   (( segid A    and resid 56   and name HB1 ))
   (  segid A    and resid 61   and name HE% )
 ASSI {  521}
   (( segid A    and resid 56   and name HB2 ))
   (( segid A    and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   521 spectrum    1 weight  0.11000E+01 volume  0.25781E-02 ppm1      2.954 ppm2      5.530 CV     1
 OR {  521}
   (( segid B    and resid 56   and name HB2 ))
   (( segid B    and resid 56   and name HA  ))
 ASSI {  522}
   (( segid A    and resid 56   and name HB2 ))
   (  segid A    and resid 56   and name HD% )
      2.400     0.700     0.700 peak   522 spectrum    1 weight  0.11000E+01 volume  0.59728E-02 ppm1      2.951 ppm2      6.538 CV     1
 OR {  522}
   (( segid B    and resid 56   and name HB2 ))
   (  segid B    and resid 56   and name HD% )
 ASSI {  523}
   (( segid A    and resid 56   and name HB2 ))
   (  segid A    and resid 56   and name HE% )
      4.000     2.000     2.000 peak   523 spectrum    1 weight  0.11000E+01 volume  0.99432E-03 ppm1      2.960 ppm2      6.392 CV     1
 OR {  523}
   (( segid B    and resid 56   and name HB2 ))
   (  segid B    and resid 56   and name HE% )
 ASSI {  524}
   (( segid A    and resid 56   and name HB2 ))
   (  segid A    and resid 61   and name HE% )
      2.900     1.100     1.100 peak   524 spectrum    1 weight  0.11000E+01 volume  0.19983E-02 ppm1      2.943 ppm2      7.269 CV     1
 OR {  524}
   (( segid B    and resid 56   and name HB2 ))
   (  segid B    and resid 61   and name HE% )
 ASSI {  526}
   (  segid A    and resid 56   and name HD% )
   (  segid A    and resid 56   and name HE% )
      1.800     0.400     0.400 peak   526 spectrum    1 weight  0.11000E+01 volume  0.33364E-01 ppm1      6.558 ppm2      6.392 CV     1
 OR {  526}
   (  segid B    and resid 56   and name HD% )
   (  segid B    and resid 56   and name HE% )
 ASSI {  528}
   (  segid B    and resid 56   and name HD% )
   (  segid B    and resid 61   and name HD% )
      2.900     1.000     1.000 peak   528 spectrum    1 weight  0.11000E+01 volume  0.21758E-02 ppm1      6.559 ppm2      7.702 CV     1
 OR {  528}
   (  segid A    and resid 56   and name HD% )
   (  segid A    and resid 61   and name HD% )
 ASSI {  529}
   (  segid A    and resid 56   and name HD% )
   (  segid A    and resid 61   and name HE% )
      2.800     1.000     1.000 peak   529 spectrum    1 weight  0.11000E+01 volume  0.24032E-02 ppm1      6.561 ppm2      7.269 CV     1
 OR {  529}
   (  segid B    and resid 56   and name HD% )
   (  segid B    and resid 61   and name HE% )
 ASSI {  532}
   (  segid A    and resid 56   and name HE% )
   (  segid A    and resid 61   and name HE% )
      3.800     1.800     1.800 peak   532 spectrum    1 weight  0.11000E+01 volume  0.57011E-03 ppm1      6.409 ppm2      7.267 CV     1
 OR {  532}
   (  segid B    and resid 56   and name HE% )
   (  segid B    and resid 61   and name HE% )
 ASSI {  533}
   (( segid A    and resid 59   and name HA1 ))
   (  segid A    and resid 56   and name HE% )
      3.300     1.400     1.400 peak   533 spectrum    1 weight  0.11000E+01 volume  0.17984E-02 ppm1      3.520 ppm2      6.392 CV     1
 OR {  533}
   (( segid B    and resid 59   and name HA1 ))
   (  segid B    and resid 56   and name HE% )
 ASSI {  535}
   (( segid B    and resid 60   and name HA  ))
   (( segid B    and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   535 spectrum    1 weight  0.11000E+01 volume  0.59066E-02 ppm1      4.841 ppm2      8.729 CV     1
 OR {  535}
   (( segid A    and resid 60   and name HA  ))
   (( segid A    and resid 61   and name HN  ))
 ASSI {  539}
   (( segid B    and resid 61   and name HA  ))
   (( segid B    and resid 62   and name HN  ))
      2.400     2.400     3.600 peak   539 spectrum    1 weight  0.11000E+01 volume  0.52754E-02 ppm1      6.006 ppm2      8.954 CV     1
 OR {  539}
   (( segid A    and resid 61   and name HA  ))
   (( segid A    and resid 62   and name HN  ))
 ASSI {  541}
   (( segid B    and resid 61   and name HN  ))
   (( segid B    and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   541 spectrum    1 weight  0.11000E+01 volume  0.13689E-02 ppm1      8.745 ppm2      5.101 CV     1
 OR {  541}
   (( segid A    and resid 61   and name HN  ))
   (( segid A    and resid 24   and name HA  ))
 ASSI {  543}
   (( segid B    and resid 61   and name HN  ))
   (( segid B    and resid 61   and name HA  ))
      3.200     1.300     1.300 peak   543 spectrum    1 weight  0.11000E+01 volume  0.99025E-03 ppm1      8.749 ppm2      5.992 CV     1
 OR {  543}
   (( segid A    and resid 61   and name HN  ))
   (( segid A    and resid 61   and name HA  ))
 ASSI {  545}
   (( segid B    and resid 61   and name HZ  ))
   (  segid B    and resid 21   and name HE% )
      3.200     3.200     2.800 peak   545 spectrum    1 weight  0.11000E+01 volume  0.14443E-02 ppm1      6.965 ppm2      6.682 CV     1
 OR {  545}
   (( segid A    and resid 61   and name HZ  ))
   (  segid A    and resid 21   and name HE% )
 ASSI {  548}
   (( segid A    and resid 61   and name HZ  ))
   (  segid A    and resid 56   and name HD% )
      3.000     1.100     1.100 peak   548 spectrum    1 weight  0.11000E+01 volume  0.24256E-02 ppm1      6.945 ppm2      6.543 CV     1
 OR {  548}
   (( segid B    and resid 61   and name HZ  ))
   (  segid B    and resid 56   and name HD% )
 ASSI {  549}
   (( segid B    and resid 61   and name HZ  ))
   (  segid B    and resid 61   and name HD% )
      3.500     1.600     1.600 peak   549 spectrum    1 weight  0.11000E+01 volume  0.15892E-02 ppm1      6.942 ppm2      7.699 CV     1
 OR {  549}
   (( segid A    and resid 61   and name HZ  ))
   (  segid A    and resid 61   and name HD% )
 ASSI {  550}
   (( segid A    and resid 61   and name HZ  ))
   (  segid A    and resid 61   and name HE% )
      2.000     0.500     0.500 peak   550 spectrum    1 weight  0.11000E+01 volume  0.18199E-01 ppm1      6.942 ppm2      7.267 CV     1
 OR {  550}
   (( segid B    and resid 61   and name HZ  ))
   (  segid B    and resid 61   and name HE% )
 ASSI {  551}
   (( segid A    and resid 61   and name HB2 ))
   (( segid A    and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   551 spectrum    1 weight  0.11000E+01 volume  0.29366E-02 ppm1      2.909 ppm2      5.986 CV     1
 OR {  551}
   (( segid B    and resid 61   and name HB1 ))
   (( segid B    and resid 61   and name HA  ))
 OR {  551}
   (( segid A    and resid 61   and name HB1 ))
   (( segid A    and resid 61   and name HA  ))
 OR {  551}
   (( segid B    and resid 61   and name HB2 ))
   (( segid B    and resid 61   and name HA  ))
 ASSI {  552}
   (( segid B    and resid 61   and name HB1 ))
   (( segid B    and resid 61   and name HN  ))
      2.900     1.100     1.100 peak   552 spectrum    1 weight  0.11000E+01 volume  0.19589E-02 ppm1      2.900 ppm2      8.732 CV     1
 OR {  552}
   (( segid A    and resid 61   and name HB2 ))
   (( segid A    and resid 61   and name HN  ))
 OR {  552}
   (( segid B    and resid 61   and name HB2 ))
   (( segid B    and resid 61   and name HN  ))
 OR {  552}
   (( segid A    and resid 61   and name HB1 ))
   (( segid A    and resid 61   and name HN  ))
 ASSI {  553}
   (( segid B    and resid 61   and name HB1 ))
   (  segid B    and resid 61   and name HD% )
      2.400     0.700     0.700 peak   553 spectrum    1 weight  0.11000E+01 volume  0.66563E-02 ppm1      2.914 ppm2      7.705 CV     1
 OR {  553}
   (( segid A    and resid 61   and name HB2 ))
   (  segid A    and resid 61   and name HD% )
 OR {  553}
   (( segid B    and resid 61   and name HB2 ))
   (  segid B    and resid 61   and name HD% )
 OR {  553}
   (( segid A    and resid 61   and name HB1 ))
   (  segid A    and resid 61   and name HD% )
 ASSI {  557}
   (  segid A    and resid 61   and name HD% )
   (( segid A    and resid 61   and name HA  ))
      2.300     0.700     0.700 peak   557 spectrum    1 weight  0.11000E+01 volume  0.61341E-02 ppm1      7.725 ppm2      5.987 CV     1
 OR {  557}
   (  segid B    and resid 61   and name HD% )
   (( segid B    and resid 61   and name HA  ))
 ASSI {  558}
   (  segid B    and resid 61   and name HD% )
   (( segid B    and resid 61   and name HN  ))
      3.700     1.700     1.700 peak   558 spectrum    1 weight  0.11000E+01 volume  0.83883E-03 ppm1      7.723 ppm2      8.728 CV     1
 OR {  558}
   (  segid A    and resid 61   and name HD% )
   (( segid A    and resid 61   and name HN  ))
 ASSI {  561}
   (  segid A    and resid 61   and name HD% )
   (( segid A    and resid 62   and name HN  ))
      3.300     3.300     2.700 peak   561 spectrum    1 weight  0.11000E+01 volume  0.11842E-02 ppm1      7.727 ppm2      8.956 CV     1
 OR {  561}
   (  segid B    and resid 61   and name HD% )
   (( segid B    and resid 62   and name HN  ))
 ASSI {  566}
   (  segid B    and resid 61   and name HE% )
   (  segid B    and resid 61   and name HD% )
      2.000     0.500     0.500 peak   566 spectrum    1 weight  0.11000E+01 volume  0.15508E-01 ppm1      7.287 ppm2      7.705 CV     1
 OR {  566}
   (  segid A    and resid 61   and name HE% )
   (  segid A    and resid 61   and name HD% )
 ASSI {  567}
   (  segid B    and resid 61   and name HE% )
   (( segid B    and resid 85   and name HD2 ))
      2.700     2.700     3.300 peak   567 spectrum    1 weight  0.11000E+01 volume  0.53468E-02 ppm1      7.277 ppm2      7.526 CV     1
 OR {  567}
   (  segid A    and resid 61   and name HE% )
   (( segid A    and resid 85   and name HD2 ))
 ASSI {  570}
   (( segid A    and resid 62   and name HA  ))
   (( segid A    and resid 62   and name HN  ))
      2.800     2.800     3.200 peak   570 spectrum    1 weight  0.11000E+01 volume  0.24184E-02 ppm1      5.305 ppm2      8.954 CV     1
 OR {  570}
   (( segid B    and resid 62   and name HA  ))
   (( segid B    and resid 62   and name HN  ))
 ASSI {  571}
   (( segid B    and resid 62   and name HA  ))
   (  segid B    and resid 62   and name HD% )
      3.300     1.300     1.300 peak   571 spectrum    1 weight  0.11000E+01 volume  0.12014E-02 ppm1      5.304 ppm2      6.958 CV     1
 OR {  571}
   (( segid A    and resid 62   and name HA  ))
   (  segid A    and resid 62   and name HD% )
 ASSI {  572}
   (( segid A    and resid 62   and name HA  ))
   (( segid A    and resid 63   and name HN  ))
      2.600     2.600     3.400 peak   572 spectrum    1 weight  0.11000E+01 volume  0.31967E-02 ppm1      5.305 ppm2      8.494 CV     1
 OR {  572}
   (( segid B    and resid 62   and name HA  ))
   (( segid B    and resid 63   and name HN  ))
 ASSI {  577}
   (( segid A    and resid 62   and name HZ  ))
   (  segid A    and resid 62   and name HE% )
      1.800     0.400     0.400 peak   577 spectrum    1 weight  0.11000E+01 volume  0.41248E-01 ppm1      7.141 ppm2      7.063 CV     1
 OR {  577}
   (( segid B    and resid 62   and name HZ  ))
   (  segid B    and resid 62   and name HE% )
 ASSI {  578}
   (( segid A    and resid 62   and name HB1 ))
   (( segid A    and resid 22   and name HA  ))
      3.600     1.600     1.600 peak   578 spectrum    1 weight  0.11000E+01 volume  0.12674E-02 ppm1      2.973 ppm2      5.710 CV     1
 OR {  578}
   (( segid B    and resid 62   and name HB2 ))
   (( segid B    and resid 22   and name HA  ))
 OR {  578}
   (( segid A    and resid 62   and name HB2 ))
   (( segid A    and resid 22   and name HA  ))
 ASSI {  579}
   (( segid B    and resid 62   and name HB1 ))
   (  segid B    and resid 55   and name HD% )
      3.100     1.200     1.200 peak   579 spectrum    1 weight  0.11000E+01 volume  0.22057E-02 ppm1      2.978 ppm2      7.343 CV     1
 OR {  579}
   (( segid B    and resid 62   and name HB2 ))
   (  segid B    and resid 55   and name HD% )
 OR {  579}
   (( segid A    and resid 62   and name HB1 ))
   (  segid A    and resid 55   and name HD% )
 ASSI {  580}
   (( segid A    and resid 62   and name HB1 ))
   (( segid A    and resid 62   and name HA  ))
      2.400     0.700     0.700 peak   580 spectrum    1 weight  0.11000E+01 volume  0.59893E-02 ppm1      2.963 ppm2      5.283 CV     1
 OR {  580}
   (( segid B    and resid 62   and name HB2 ))
   (( segid B    and resid 62   and name HA  ))
 OR {  580}
   (( segid A    and resid 62   and name HB2 ))
   (( segid A    and resid 62   and name HA  ))
 OR {  580}
   (( segid B    and resid 62   and name HB1 ))
   (( segid B    and resid 62   and name HA  ))
 ASSI {  581}
   (( segid B    and resid 62   and name HB2 ))
   (  segid B    and resid 62   and name HD% )
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.11000E+01 volume  0.81568E-02 ppm1      2.974 ppm2      6.960 CV     1
 OR {  581}
   (( segid A    and resid 62   and name HB1 ))
   (  segid A    and resid 62   and name HD% )
 OR {  581}
   (( segid A    and resid 62   and name HB2 ))
   (  segid A    and resid 62   and name HD% )
 OR {  581}
   (( segid B    and resid 62   and name HB1 ))
   (  segid B    and resid 62   and name HD% )
 ASSI {  582}
   (( segid B    and resid 62   and name HB2 ))
   (  segid B    and resid 62   and name HE% )
      3.900     1.900     1.900 peak   582 spectrum    1 weight  0.11000E+01 volume  0.11177E-02 ppm1      2.971 ppm2      7.056 CV     1
 OR {  582}
   (( segid A    and resid 62   and name HB1 ))
   (  segid A    and resid 62   and name HE% )
 OR {  582}
   (( segid A    and resid 62   and name HB2 ))
   (  segid A    and resid 62   and name HE% )
 OR {  582}
   (( segid B    and resid 62   and name HB1 ))
   (  segid B    and resid 62   and name HE% )
 ASSI {  583}
   (  segid B    and resid 62   and name HD% )
   (  segid B    and resid 55   and name HD% )
      2.800     1.000     1.000 peak   583 spectrum    1 weight  0.11000E+01 volume  0.23362E-02 ppm1      6.985 ppm2      7.344 CV     1
 OR {  583}
   (  segid A    and resid 62   and name HD% )
   (  segid A    and resid 55   and name HD% )
 ASSI {  585}
   (  segid B    and resid 62   and name HD% )
   (  segid B    and resid 62   and name HE% )
      1.800     0.400     0.400 peak   585 spectrum    1 weight  0.11000E+01 volume  0.37403E-01 ppm1      6.981 ppm2      7.056 CV     1
 OR {  585}
   (  segid A    and resid 62   and name HD% )
   (  segid A    and resid 62   and name HE% )
 ASSI {  591}
   (( segid B    and resid 64   and name HA  ))
   (  segid B    and resid 21   and name HE% )
      3.300     1.300     1.300 peak   591 spectrum    1 weight  0.11000E+01 volume  0.19734E-02 ppm1      5.424 ppm2      6.687 CV     1
 OR {  591}
   (( segid A    and resid 64   and name HA  ))
   (  segid A    and resid 21   and name HE% )
 ASSI {  592}
   (( segid B    and resid 64   and name HA  ))
   (( segid B    and resid 64   and name HD1 ))
      4.000     2.000     2.000 peak   592 spectrum    1 weight  0.11000E+01 volume  0.49967E-03 ppm1      5.412 ppm2      6.857 CV     1
 OR {  592}
   (( segid A    and resid 64   and name HA  ))
   (( segid A    and resid 64   and name HD1 ))
 ASSI {  593}
   (( segid B    and resid 64   and name HA  ))
   (( segid B    and resid 64   and name HE3 ))
      3.500     1.500     1.500 peak   593 spectrum    1 weight  0.11000E+01 volume  0.15522E-02 ppm1      5.429 ppm2      7.799 CV     1
 OR {  593}
   (( segid A    and resid 64   and name HA  ))
   (( segid A    and resid 64   and name HE3 ))
 ASSI {  594}
   (( segid A    and resid 64   and name HA  ))
   (( segid A    and resid 65   and name HN  ))
      2.200     0.600     0.600 peak   594 spectrum    1 weight  0.11000E+01 volume  0.53268E-02 ppm1      5.422 ppm2      9.560 CV     1
 OR {  594}
   (( segid B    and resid 64   and name HA  ))
   (( segid B    and resid 65   and name HN  ))
 ASSI {  595}
   (( segid B    and resid 64   and name HD1 ))
   (( segid B    and resid 64   and name HZ2 ))
      2.700     2.700     3.300 peak   595 spectrum    1 weight  0.11000E+01 volume  0.96291E-02 ppm1      6.855 ppm2      7.140 CV     1
 OR {  595}
   (( segid A    and resid 64   and name HD1 ))
   (( segid A    and resid 64   and name HZ2 ))
 ASSI {  599}
   (( segid A    and resid 64   and name HN  ))
   (( segid A    and resid 63   and name HA  ))
      2.700     2.700     3.300 peak   599 spectrum    1 weight  0.11000E+01 volume  0.28210E-02 ppm1      8.697 ppm2      5.525 CV     1
 OR {  599}
   (( segid B    and resid 64   and name HN  ))
   (( segid B    and resid 63   and name HA  ))
 ASSI {  600}
   (( segid A    and resid 64   and name HN  ))
   (( segid A    and resid 64   and name HE3 ))
      3.300     3.300     2.700 peak   600 spectrum    1 weight  0.11000E+01 volume  0.94395E-03 ppm1      8.695 ppm2      7.795 CV     1
 OR {  600}
   (( segid B    and resid 64   and name HN  ))
   (( segid B    and resid 64   and name HE3 ))
 ASSI {  602}
   (( segid B    and resid 64   and name HZ2 ))
   (( segid B    and resid 64   and name HH2 ))
      2.200     0.600     0.600 peak   602 spectrum    1 weight  0.11000E+01 volume  0.12461E-01 ppm1      7.158 ppm2      7.489 CV     1
 OR {  602}
   (( segid A    and resid 64   and name HZ2 ))
   (( segid A    and resid 64   and name HH2 ))
 ASSI {  603}
   (( segid A    and resid 64   and name HZ2 ))
   (( segid A    and resid 101  and name HZ  ))
      2.800     1.000     1.000 peak   603 spectrum    1 weight  0.11000E+01 volume  0.41940E-02 ppm1      7.134 ppm2      6.595 CV     1
 OR {  603}
   (( segid B    and resid 64   and name HZ2 ))
   (( segid B    and resid 101  and name HZ  ))
 ASSI {  604}
   (( segid A    and resid 64   and name HZ2 ))
   (  segid A    and resid 101  and name HD% )
      2.500     0.800     0.800 peak   604 spectrum    1 weight  0.11000E+01 volume  0.72397E-02 ppm1      7.137 ppm2      7.250 CV     1
 OR {  604}
   (( segid B    and resid 64   and name HZ2 ))
   (  segid B    and resid 101  and name HD% )
 ASSI {  605}
   (( segid B    and resid 64   and name HZ3 ))
   (( segid B    and resid 64   and name HE3 ))
      2.300     0.600     0.600 peak   605 spectrum    1 weight  0.11000E+01 volume  0.90608E-02 ppm1      7.109 ppm2      7.798 CV     1
 OR {  605}
   (( segid A    and resid 64   and name HZ3 ))
   (( segid A    and resid 64   and name HE3 ))
 ASSI {  606}
   (( segid A    and resid 64   and name HZ3 ))
   (( segid A    and resid 64   and name HH2 ))
      2.800     1.000     1.000 peak   606 spectrum    1 weight  0.11000E+01 volume  0.22846E-02 ppm1      7.111 ppm2      7.490 CV     1
 OR {  606}
   (( segid B    and resid 64   and name HZ3 ))
   (( segid B    and resid 64   and name HH2 ))
 ASSI {  607}
   (( segid A    and resid 64   and name HB2 ))
   (( segid A    and resid 64   and name HE3 ))
      3.100     1.200     1.200 peak   607 spectrum    1 weight  0.11000E+01 volume  0.13597E-02 ppm1      3.037 ppm2      7.800 CV     1
 OR {  607}
   (( segid B    and resid 64   and name HB1 ))
   (( segid B    and resid 64   and name HE3 ))
 OR {  607}
   (( segid A    and resid 64   and name HB1 ))
   (( segid A    and resid 64   and name HE3 ))
 ASSI {  609}
   (( segid B    and resid 65   and name HA  ))
   (( segid B    and resid 66   and name HN  ))
      2.500     0.800     0.800 peak   609 spectrum    1 weight  0.11000E+01 volume  0.42716E-02 ppm1      5.327 ppm2      8.887 CV     1
 OR {  609}
   (( segid A    and resid 65   and name HA  ))
   (( segid A    and resid 66   and name HN  ))
 ASSI {  610}
   (( segid A    and resid 65   and name HB1 ))
   (( segid A    and resid 65   and name HA  ))
      2.400     0.700     0.700 peak   610 spectrum    1 weight  0.11000E+01 volume  0.50881E-02 ppm1      1.634 ppm2      5.309 CV     1
 OR {  610}
   (( segid B    and resid 65   and name HB1 ))
   (( segid B    and resid 65   and name HA  ))
 ASSI {  611}
   (( segid A    and resid 65   and name HB2 ))
   (( segid A    and resid 65   and name HA  ))
      2.600     0.800     0.800 peak   611 spectrum    1 weight  0.11000E+01 volume  0.35875E-02 ppm1      1.763 ppm2      5.309 CV     1
 OR {  611}
   (( segid B    and resid 65   and name HB2 ))
   (( segid B    and resid 65   and name HA  ))
 ASSI {  612}
   (( segid A    and resid 65   and name HG  ))
   (( segid A    and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   612 spectrum    1 weight  0.11000E+01 volume  0.46946E-02 ppm1      1.799 ppm2      5.307 CV     1
 OR {  612}
   (( segid B    and resid 65   and name HG  ))
   (( segid B    and resid 65   and name HA  ))
 ASSI {  615}
   (( segid A    and resid 65   and name HN  ))
   (( segid A    and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   615 spectrum    1 weight  0.11000E+01 volume  0.10452E-02 ppm1      9.596 ppm2      5.312 CV     1
 OR {  615}
   (( segid B    and resid 65   and name HN  ))
   (( segid B    and resid 65   and name HA  ))
 ASSI {  616}
   (  segid A    and resid 65   and name HD2%)
   (( segid A    and resid 65   and name HA  ))
      2.900     1.100     1.100 peak   616 spectrum    1 weight  0.11000E+01 volume  0.49476E-02 ppm1      1.001 ppm2      5.313 CV     1
 OR {  616}
   (  segid B    and resid 65   and name HD2%)
   (( segid B    and resid 65   and name HA  ))
 ASSI {  618}
   (( segid A    and resid 66   and name HA  ))
   (( segid A    and resid 67   and name HN  ))
      2.300     0.600     0.600 peak   618 spectrum    1 weight  0.11000E+01 volume  0.55786E-02 ppm1      5.880 ppm2      8.562 CV     1
 OR {  618}
   (( segid B    and resid 66   and name HA  ))
   (( segid B    and resid 67   and name HN  ))
 ASSI {  619}
   (( segid A    and resid 66   and name HB1 ))
   (( segid A    and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   619 spectrum    1 weight  0.11000E+01 volume  0.27449E-02 ppm1      2.021 ppm2      5.861 CV     1
 OR {  619}
   (( segid B    and resid 66   and name HB1 ))
   (( segid B    and resid 66   and name HA  ))
 ASSI {  620}
   (( segid B    and resid 66   and name HB2 ))
   (( segid B    and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   620 spectrum    1 weight  0.11000E+01 volume  0.71092E-02 ppm1      2.459 ppm2      5.867 CV     1
 OR {  620}
   (( segid A    and resid 66   and name HB2 ))
   (( segid A    and resid 66   and name HA  ))
 ASSI {  622}
   (( segid A    and resid 66   and name HN  ))
   (( segid A    and resid 66   and name HA  ))
      2.900     1.000     1.000 peak   622 spectrum    1 weight  0.11000E+01 volume  0.16632E-02 ppm1      8.894 ppm2      5.867 CV     1
 OR {  622}
   (( segid B    and resid 66   and name HN  ))
   (( segid B    and resid 66   and name HA  ))
 ASSI {  626}
   (( segid A    and resid 68   and name HA  ))
   (( segid A    and resid 68   and name HD2 ))
      2.400     0.700     0.700 peak   626 spectrum    1 weight  0.11000E+01 volume  0.69417E-02 ppm1      5.156 ppm2      7.404 CV     1
 OR {  626}
   (( segid B    and resid 68   and name HA  ))
   (( segid B    and resid 68   and name HD2 ))
 ASSI {  627}
   (( segid A    and resid 68   and name HB1 ))
   (( segid A    and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   627 spectrum    1 weight  0.11000E+01 volume  0.79983E-02 ppm1      3.195 ppm2      5.130 CV     1
 OR {  627}
   (( segid B    and resid 68   and name HB1 ))
   (( segid B    and resid 68   and name HA  ))
 ASSI {  628}
   (( segid A    and resid 68   and name HB1 ))
   (( segid A    and resid 68   and name HD2 ))
      2.600     0.800     0.800 peak   628 spectrum    1 weight  0.11000E+01 volume  0.11575E-01 ppm1      3.195 ppm2      7.402 CV     1
 OR {  628}
   (( segid B    and resid 68   and name HB1 ))
   (( segid B    and resid 68   and name HD2 ))
 ASSI {  631}
   (( segid A    and resid 68   and name HD2 ))
   (( segid A    and resid 68   and name HE1 ))
      3.400     1.500     1.500 peak   631 spectrum    1 weight  0.11000E+01 volume  0.16396E-02 ppm1      7.421 ppm2      7.984 CV     1
 OR {  631}
   (( segid B    and resid 68   and name HD2 ))
   (( segid B    and resid 68   and name HE1 ))
 ASSI {  633}
   (( segid A    and resid 69   and name HD1 ))
   (( segid A    and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   633 spectrum    1 weight  0.11000E+01 volume  0.11609E-02 ppm1      2.826 ppm2      4.780 CV     1
 OR {  633}
   (( segid B    and resid 69   and name HD1 ))
   (( segid B    and resid 16   and name HA  ))
 ASSI {  634}
   (( segid A    and resid 69   and name HD1 ))
   (( segid A    and resid 68   and name HA  ))
      2.200     0.600     0.600 peak   634 spectrum    1 weight  0.11000E+01 volume  0.86635E-02 ppm1      2.826 ppm2      5.129 CV     1
 OR {  634}
   (( segid B    and resid 69   and name HD1 ))
   (( segid B    and resid 68   and name HA  ))
 ASSI {  635}
   (( segid A    and resid 69   and name HD1 ))
   (( segid A    and resid 68   and name HD2 ))
      3.800     1.800     1.800 peak   635 spectrum    1 weight  0.11000E+01 volume  0.15455E-02 ppm1      2.818 ppm2      7.403 CV     1
 OR {  635}
   (( segid B    and resid 69   and name HD1 ))
   (( segid B    and resid 68   and name HD2 ))
 ASSI {  636}
   (( segid B    and resid 69   and name HD2 ))
   (( segid B    and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   636 spectrum    1 weight  0.11000E+01 volume  0.28704E-02 ppm1      3.421 ppm2      4.779 CV     1
 OR {  636}
   (( segid A    and resid 69   and name HD2 ))
   (( segid A    and resid 16   and name HA  ))
 ASSI {  637}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   637 spectrum    1 weight  0.11000E+01 volume  0.49441E-02 ppm1      2.000 ppm2      5.129 CV     1
 OR {  637}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 68   and name HA  ))
 OR {  637}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 68   and name HA  ))
 OR {  637}
   (( segid B    and resid 69   and name HG1 ))
   (( segid B    and resid 68   and name HA  ))
 ASSI {  638}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 68   and name HE1 ))
      2.800     1.000     1.000 peak   638 spectrum    1 weight  0.11000E+01 volume  0.32286E-02 ppm1      1.997 ppm2      7.983 CV     1
 OR {  638}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 68   and name HE1 ))
 OR {  638}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 68   and name HE1 ))
 ASSI {  639}
   (  segid A    and resid 70   and name HB% )
   (( segid A    and resid 68   and name HE1 ))
      2.000     0.500     0.500 peak   639 spectrum    1 weight  0.11000E+01 volume  0.26399E-01 ppm1      1.643 ppm2      7.984 CV     1
 OR {  639}
   (  segid B    and resid 70   and name HB% )
   (( segid B    and resid 68   and name HE1 ))
 ASSI {  642}
   (( segid A    and resid 72   and name HA  ))
   (( segid A    and resid 72   and name HN  ))
      2.500     0.800     0.800 peak   642 spectrum    1 weight  0.11000E+01 volume  0.42844E-02 ppm1      3.452 ppm2      8.337 CV     1
 OR {  642}
   (( segid B    and resid 72   and name HA  ))
   (( segid B    and resid 72   and name HN  ))
 ASSI {  643}
   (( segid B    and resid 72   and name HA  ))
   (( segid B    and resid 76   and name HN  ))
      3.500     1.600     1.600 peak   643 spectrum    1 weight  0.11000E+01 volume  0.10400E-02 ppm1      3.443 ppm2      8.508 CV     1
 OR {  643}
   (( segid A    and resid 72   and name HA  ))
   (( segid A    and resid 76   and name HN  ))
 ASSI {  644}
   (( segid B    and resid 72   and name HB  ))
   (( segid B    and resid 72   and name HN  ))
      2.500     0.800     0.800 peak   644 spectrum    1 weight  0.11000E+01 volume  0.61083E-02 ppm1      1.850 ppm2      8.339 CV     1
 OR {  644}
   (( segid A    and resid 72   and name HB  ))
   (( segid A    and resid 72   and name HN  ))
 ASSI {  648}
   (  segid B    and resid 73   and name HB% )
   (( segid B    and resid 70   and name HA  ))
      1.700     0.400     0.500 peak   648 spectrum    1 weight  0.11000E+01 volume  0.40372E-01 ppm1      1.495 ppm2      4.306 CV     1
 OR {  648}
   (  segid A    and resid 73   and name HB% )
   (( segid A    and resid 70   and name HA  ))
 ASSI {  649}
   (  segid B    and resid 75   and name HG2%)
   (( segid B    and resid 44   and name HD2 ))
      2.000     2.000     4.000 peak   649 spectrum    1 weight  0.11000E+01 volume  0.10778E-01 ppm1      0.844 ppm2      7.151 CV     1
 OR {  649}
   (  segid A    and resid 75   and name HG2%)
   (( segid A    and resid 44   and name HD2 ))
 ASSI {  654}
   (  segid B    and resid 76   and name HE% )
   (  segid B    and resid 21   and name HD% )
      2.700     0.900     0.900 peak   654 spectrum    1 weight  0.11000E+01 volume  0.38492E-02 ppm1      1.368 ppm2      6.728 CV     1
 OR {  654}
   (  segid A    and resid 76   and name HE% )
   (  segid A    and resid 21   and name HD% )
 ASSI {  655}
   (  segid B    and resid 76   and name HE% )
   (  segid B    and resid 21   and name HE% )
      2.500     0.800     0.800 peak   655 spectrum    1 weight  0.11000E+01 volume  0.53095E-02 ppm1      1.350 ppm2      6.675 CV     1
 OR {  655}
   (  segid A    and resid 76   and name HE% )
   (  segid A    and resid 21   and name HE% )
 ASSI {  656}
   (  segid B    and resid 76   and name HE% )
   (  segid B    and resid 88   and name HG2%)
      2.700     0.900     0.900 peak   656 spectrum    1 weight  0.11000E+01 volume  0.56331E-02 ppm1      1.366 ppm2      0.208 CV     1
 OR {  656}
   (  segid A    and resid 76   and name HE% )
   (  segid A    and resid 88   and name HG2%)
 ASSI {  657}
   (( segid B    and resid 79   and name HB  ))
   (  segid B    and resid 79   and name HD1%)
      2.200     0.600     0.600 peak   657 spectrum    1 weight  0.11000E+01 volume  0.94909E-02 ppm1      1.498 ppm2      0.157 CV     1
 OR {  657}
   (( segid A    and resid 79   and name HB  ))
   (  segid A    and resid 79   and name HD1%)
 ASSI {  658}
   (( segid A    and resid 79   and name HB  ))
   (  segid A    and resid 79   and name HG2%)
      2.000     0.500     0.500 peak   658 spectrum    1 weight  0.11000E+01 volume  0.14705E-01 ppm1      1.500 ppm2      0.094 CV     1
 OR {  658}
   (( segid B    and resid 79   and name HB  ))
   (  segid B    and resid 79   and name HG2%)
 ASSI {  660}
   (( segid B    and resid 79   and name HG11))
   (( segid B    and resid 79   and name HA  ))
      2.900     1.100     1.100 peak   660 spectrum    1 weight  0.11000E+01 volume  0.27265E-02 ppm1     -0.904 ppm2      3.630 CV     1
 OR {  660}
   (( segid A    and resid 79   and name HG11))
   (( segid A    and resid 79   and name HA  ))
 ASSI {  661}
   (( segid A    and resid 79   and name HG11))
   (( segid A    and resid 79   and name HG12))
      2.000     0.500     0.500 peak   661 spectrum    1 weight  0.11000E+01 volume  0.68490E-02 ppm1     -0.899 ppm2      1.095 CV     1
 OR {  661}
   (( segid B    and resid 79   and name HG11))
   (( segid B    and resid 79   and name HG12))
 ASSI {  663}
   (( segid B    and resid 79   and name HG11))
   (  segid B    and resid 79   and name HG2%)
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.11000E+01 volume  0.37891E-02 ppm1     -0.906 ppm2      0.096 CV     1
 OR {  663}
   (( segid A    and resid 79   and name HG11))
   (  segid A    and resid 79   and name HG2%)
 ASSI {  664}
   (  segid A    and resid 79   and name HD1%)
   (  segid A    and resid 21   and name HE% )
      2.300     0.600     0.600 peak   664 spectrum    1 weight  0.11000E+01 volume  0.83584E-02 ppm1      0.172 ppm2      6.674 CV     1
 OR {  664}
   (  segid B    and resid 79   and name HD1%)
   (  segid B    and resid 21   and name HE% )
 ASSI {  671}
   (  segid A    and resid 79   and name HG2%)
   (  segid A    and resid 21   and name HE% )
      2.500     0.800     0.800 peak   671 spectrum    1 weight  0.11000E+01 volume  0.54929E-02 ppm1      0.098 ppm2      6.674 CV     1
 OR {  671}
   (  segid B    and resid 79   and name HG2%)
   (  segid B    and resid 21   and name HE% )
 ASSI {  674}
   (( segid B    and resid 82   and name HB1 ))
   (( segid B    and resid 85   and name HD2 ))
      2.600     0.800     0.800 peak   674 spectrum    1 weight  0.11000E+01 volume  0.42756E-02 ppm1      2.683 ppm2      7.520 CV     1
 OR {  674}
   (( segid A    and resid 82   and name HB1 ))
   (( segid A    and resid 85   and name HD2 ))
 ASSI {  675}
   (( segid B    and resid 82   and name HB2 ))
   (( segid B    and resid 85   and name HD2 ))
      2.300     0.700     0.700 peak   675 spectrum    1 weight  0.11000E+01 volume  0.94461E-02 ppm1      2.920 ppm2      7.522 CV     1
 OR {  675}
   (( segid A    and resid 82   and name HB2 ))
   (( segid A    and resid 85   and name HD2 ))
 ASSI {  676}
   (( segid A    and resid 85   and name HA  ))
   (( segid A    and resid 25   and name HA  ))
      2.500     0.800     0.800 peak   676 spectrum    1 weight  0.11000E+01 volume  0.57162E-02 ppm1      5.520 ppm2      4.647 CV     1
 OR {  676}
   (( segid B    and resid 85   and name HA  ))
   (( segid B    and resid 25   and name HA  ))
 ASSI {  677}
   (( segid B    and resid 85   and name HA  ))
   (  segid B    and resid 61   and name HE% )
      3.900     1.900     1.900 peak   677 spectrum    1 weight  0.11000E+01 volume  0.45754E-03 ppm1      5.512 ppm2      7.271 CV     1
 OR {  677}
   (( segid A    and resid 85   and name HA  ))
   (  segid A    and resid 61   and name HE% )
 ASSI {  678}
   (( segid A    and resid 85   and name HB1 ))
   (  segid A    and resid 61   and name HD% )
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.11000E+01 volume  0.27403E-02 ppm1      3.491 ppm2      7.704 CV     1
 OR {  678}
   (( segid B    and resid 85   and name HB1 ))
   (  segid B    and resid 61   and name HD% )
 ASSI {  679}
   (( segid A    and resid 85   and name HB1 ))
   (  segid A    and resid 61   and name HE% )
      2.800     0.900     0.900 peak   679 spectrum    1 weight  0.11000E+01 volume  0.22411E-02 ppm1      3.492 ppm2      7.268 CV     1
 OR {  679}
   (( segid B    and resid 85   and name HB1 ))
   (  segid B    and resid 61   and name HE% )
 ASSI {  680}
   (( segid A    and resid 85   and name HB1 ))
   (( segid A    and resid 85   and name HA  ))
      2.200     0.600     0.600 peak   680 spectrum    1 weight  0.11000E+01 volume  0.70332E-02 ppm1      3.492 ppm2      5.494 CV     1
 OR {  680}
   (( segid B    and resid 85   and name HB1 ))
   (( segid B    and resid 85   and name HA  ))
 ASSI {  681}
   (( segid A    and resid 85   and name HB1 ))
   (( segid A    and resid 85   and name HD2 ))
      3.500     1.500     1.500 peak   681 spectrum    1 weight  0.11000E+01 volume  0.12464E-02 ppm1      3.485 ppm2      7.523 CV     1
 OR {  681}
   (( segid B    and resid 85   and name HB1 ))
   (( segid B    and resid 85   and name HD2 ))
 ASSI {  682}
   (( segid B    and resid 85   and name HB2 ))
   (  segid B    and resid 61   and name HD% )
      3.100     1.200     1.200 peak   682 spectrum    1 weight  0.11000E+01 volume  0.18580E-02 ppm1      3.787 ppm2      7.706 CV     1
 OR {  682}
   (( segid A    and resid 85   and name HB2 ))
   (  segid A    and resid 61   and name HD% )
 ASSI {  683}
   (( segid B    and resid 85   and name HB2 ))
   (  segid B    and resid 61   and name HE% )
      3.200     1.300     1.300 peak   683 spectrum    1 weight  0.11000E+01 volume  0.24892E-02 ppm1      3.785 ppm2      7.270 CV     1
 OR {  683}
   (( segid A    and resid 85   and name HB2 ))
   (  segid A    and resid 61   and name HE% )
 ASSI {  684}
   (( segid B    and resid 85   and name HB2 ))
   (( segid B    and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   684 spectrum    1 weight  0.11000E+01 volume  0.39246E-02 ppm1      3.789 ppm2      5.493 CV     1
 OR {  684}
   (( segid A    and resid 85   and name HB2 ))
   (( segid A    and resid 85   and name HA  ))
 ASSI {  688}
   (( segid B    and resid 86   and name HB1 ))
   (( segid B    and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.11000E+01 volume  0.95310E-02 ppm1      3.946 ppm2      4.773 CV     1
 OR {  688}
   (( segid A    and resid 86   and name HB1 ))
   (( segid A    and resid 86   and name HA  ))
 ASSI {  689}
   (( segid B    and resid 86   and name HB2 ))
   (( segid B    and resid 86   and name HA  ))
      1.900     0.500     0.500 peak   689 spectrum    1 weight  0.11000E+01 volume  0.21991E-01 ppm1      4.084 ppm2      4.767 CV     1
 OR {  689}
   (( segid A    and resid 86   and name HB2 ))
   (( segid A    and resid 86   and name HA  ))
 ASSI {  690}
   (( segid A    and resid 88   and name HA  ))
   (  segid A    and resid 88   and name HG2%)
      2.200     0.600     0.600 peak   690 spectrum    1 weight  0.11000E+01 volume  0.83417E-02 ppm1      3.701 ppm2      0.208 CV     1
 OR {  690}
   (( segid B    and resid 88   and name HA  ))
   (  segid B    and resid 88   and name HG2%)
 ASSI {  691}
   (( segid A    and resid 88   and name HB  ))
   (  segid A    and resid 88   and name HG2%)
      1.900     0.500     0.500 peak   691 spectrum    1 weight  0.11000E+01 volume  0.20254E-01 ppm1      1.781 ppm2      0.212 CV     1
 OR {  691}
   (( segid B    and resid 88   and name HB  ))
   (  segid B    and resid 88   and name HG2%)
 ASSI {  694}
   (  segid A    and resid 88   and name HG1%)
   (  segid A    and resid 21   and name HD% )
      3.000     1.100     1.100 peak   694 spectrum    1 weight  0.11000E+01 volume  0.55424E-02 ppm1      0.133 ppm2      6.726 CV     1
 OR {  694}
   (  segid B    and resid 88   and name HG1%)
   (  segid B    and resid 21   and name HD% )
 ASSI {  695}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 85   and name HE1 ))
      2.100     0.600     0.600 peak   695 spectrum    1 weight  0.11000E+01 volume  0.22353E-01 ppm1      0.118 ppm2      7.169 CV     1
 OR {  695}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 85   and name HE1 ))
 ASSI {  696}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 85   and name HD2 ))
      2.300     0.700     0.700 peak   696 spectrum    1 weight  0.11000E+01 volume  0.37701E-02 ppm1      0.131 ppm2      7.523 CV     1
 OR {  696}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 85   and name HD2 ))
 ASSI {  697}
   (  segid B    and resid 88   and name HG1%)
   (  segid B    and resid 88   and name HG2%)
      1.900     0.400     0.400 peak   697 spectrum    1 weight  0.11000E+01 volume  0.30666E-01 ppm1      0.142 ppm2      0.212 CV     1
 OR {  697}
   (  segid A    and resid 88   and name HG1%)
   (  segid A    and resid 88   and name HG2%)
 ASSI {  698}
   (  segid B    and resid 88   and name HG2%)
   (( segid B    and resid 21   and name HA  ))
      3.800     1.800     1.800 peak   698 spectrum    1 weight  0.11000E+01 volume  0.11788E-02 ppm1      0.226 ppm2      5.466 CV     1
 OR {  698}
   (  segid A    and resid 88   and name HG2%)
   (( segid A    and resid 21   and name HA  ))
 ASSI {  700}
   (  segid A    and resid 88   and name HG2%)
   (( segid A    and resid 85   and name HE1 ))
      2.800     1.000     1.000 peak   700 spectrum    1 weight  0.11000E+01 volume  0.30536E-02 ppm1      0.212 ppm2      7.173 CV     1
 OR {  700}
   (  segid B    and resid 88   and name HG2%)
   (( segid B    and resid 85   and name HE1 ))
 ASSI {  701}
   (( segid A    and resid 90   and name HA  ))
   (( segid A    and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   701 spectrum    1 weight  0.11000E+01 volume  0.49070E-02 ppm1      4.058 ppm2      5.461 CV     1
 OR {  701}
   (( segid B    and resid 90   and name HA  ))
   (( segid B    and resid 21   and name HA  ))
 ASSI {  702}
   (( segid B    and resid 90   and name HB  ))
   (( segid B    and resid 21   and name HA  ))
      3.500     1.600     1.600 peak   702 spectrum    1 weight  0.11000E+01 volume  0.16950E-02 ppm1      1.911 ppm2      5.460 CV     1
 OR {  702}
   (( segid A    and resid 90   and name HB  ))
   (( segid A    and resid 21   and name HA  ))
 ASSI {  704}
   (  segid A    and resid 90   and name HD1%)
   (  segid A    and resid 88   and name HG2%)
      2.200     0.600     0.600 peak   704 spectrum    1 weight  0.11000E+01 volume  0.10313E-01 ppm1      0.655 ppm2      0.213 CV     1
 OR {  704}
   (  segid B    and resid 90   and name HD1%)
   (  segid B    and resid 88   and name HG2%)
 ASSI {  706}
   (( segid B    and resid 93   and name HB1 ))
   (( segid B    and resid 93   and name HA  ))
      2.000     0.500     0.500 peak   706 spectrum    1 weight  0.11000E+01 volume  0.12461E-01 ppm1      2.066 ppm2      5.185 CV     1
 OR {  706}
   (( segid A    and resid 93   and name HB1 ))
   (( segid A    and resid 93   and name HA  ))
 ASSI {  707}
   (( segid B    and resid 93   and name HG1 ))
   (( segid B    and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   707 spectrum    1 weight  0.11000E+01 volume  0.62824E-02 ppm1      2.178 ppm2      5.186 CV     1
 OR {  707}
   (( segid A    and resid 93   and name HG1 ))
   (( segid A    and resid 93   and name HA  ))
 ASSI {  708}
   (( segid A    and resid 93   and name HG2 ))
   (( segid A    and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   708 spectrum    1 weight  0.11000E+01 volume  0.50889E-02 ppm1      2.252 ppm2      5.186 CV     1
 OR {  708}
   (( segid B    and resid 93   and name HG2 ))
   (( segid B    and resid 93   and name HA  ))
 ASSI {  710}
   (( segid B    and resid 94   and name HB1 ))
   (( segid B    and resid 94   and name HA  ))
      2.300     0.700     0.700 peak   710 spectrum    1 weight  0.11000E+01 volume  0.82208E-02 ppm1      2.024 ppm2      4.896 CV     1
 OR {  710}
   (( segid A    and resid 94   and name HB1 ))
   (( segid A    and resid 94   and name HA  ))
 ASSI {  711}
   (( segid B    and resid 94   and name HB2 ))
   (( segid B    and resid 94   and name HA  ))
      2.100     0.500     0.500 peak   711 spectrum    1 weight  0.11000E+01 volume  0.14822E-01 ppm1      2.219 ppm2      4.906 CV     1
 OR {  711}
   (( segid A    and resid 94   and name HB2 ))
   (( segid A    and resid 94   and name HA  ))
 ASSI {  712}
   (( segid A    and resid 94   and name HG1 ))
   (( segid A    and resid 94   and name HA  ))
      2.800     1.000     1.000 peak   712 spectrum    1 weight  0.11000E+01 volume  0.44206E-02 ppm1      2.276 ppm2      4.896 CV     1
 OR {  712}
   (( segid B    and resid 94   and name HG1 ))
   (( segid B    and resid 94   and name HA  ))
 OR {  712}
   (( segid B    and resid 94   and name HG2 ))
   (( segid B    and resid 94   and name HA  ))
 OR {  712}
   (( segid A    and resid 94   and name HG2 ))
   (( segid A    and resid 94   and name HA  ))
 ASSI {  714}
   (( segid A    and resid 95   and name HA  ))
   (( segid A    and resid 18   and name HN  ))
      3.300     1.400     1.400 peak   714 spectrum    1 weight  0.11000E+01 volume  0.17056E-02 ppm1      4.939 ppm2      9.007 CV     1
 OR {  714}
   (( segid B    and resid 95   and name HA  ))
   (( segid B    and resid 18   and name HN  ))
 ASSI {  716}
   (( segid A    and resid 95   and name HB1 ))
   (( segid A    and resid 95   and name HA  ))
      1.900     0.400     0.400 peak   716 spectrum    1 weight  0.11000E+01 volume  0.19974E-01 ppm1      3.963 ppm2      4.947 CV     1
 OR {  716}
   (( segid B    and resid 95   and name HB1 ))
   (( segid B    and resid 95   and name HA  ))
 OR {  716}
   (( segid A    and resid 95   and name HB2 ))
   (( segid A    and resid 95   and name HA  ))
 OR {  716}
   (( segid B    and resid 95   and name HB2 ))
   (( segid B    and resid 95   and name HA  ))
 ASSI {  717}
   (( segid B    and resid 96   and name HB  ))
   (( segid B    and resid 96   and name HA  ))
      1.700     0.400     0.500 peak   717 spectrum    1 weight  0.11000E+01 volume  0.34782E-01 ppm1      1.952 ppm2      4.824 CV     1
 OR {  717}
   (( segid A    and resid 96   and name HB  ))
   (( segid A    and resid 96   and name HA  ))
 ASSI {  718}
   (( segid B    and resid 96   and name HG11))
   (( segid B    and resid 96   and name HA  ))
      2.800     1.000     1.000 peak   718 spectrum    1 weight  0.11000E+01 volume  0.32788E-02 ppm1      0.681 ppm2      4.837 CV     1
 OR {  718}
   (( segid A    and resid 96   and name HG11))
   (( segid A    and resid 96   and name HA  ))
 ASSI {  719}
   (( segid A    and resid 96   and name HG12))
   (( segid A    and resid 96   and name HA  ))
      2.800     1.000     1.000 peak   719 spectrum    1 weight  0.11000E+01 volume  0.47657E-02 ppm1      1.246 ppm2      4.823 CV     1
 OR {  719}
   (( segid B    and resid 96   and name HG12))
   (( segid B    and resid 96   and name HA  ))
 ASSI {  720}
   (  segid B    and resid 96   and name HD1%)
   (( segid B    and resid 96   and name HA  ))
      3.000     1.100     1.100 peak   720 spectrum    1 weight  0.11000E+01 volume  0.67772E-02 ppm1      0.921 ppm2      4.823 CV     1
 OR {  720}
   (  segid A    and resid 96   and name HD1%)
   (( segid A    and resid 96   and name HA  ))
 ASSI {  721}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   721 spectrum    1 weight  0.11000E+01 volume  0.17259E-02 ppm1      1.057 ppm2      5.237 CV     1
 OR {  721}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 17   and name HA  ))
 ASSI {  722}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 96   and name HA  ))
      1.800     0.400     0.400 peak   722 spectrum    1 weight  0.11000E+01 volume  0.35794E-01 ppm1      1.056 ppm2      4.827 CV     1
 OR {  722}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 96   and name HA  ))
 ASSI {  723}
   (( segid A    and resid 101  and name HA  ))
   (  segid A    and resid 101  and name HD% )
      2.800     1.000     1.000 peak   723 spectrum    1 weight  0.11000E+01 volume  0.32968E-02 ppm1      4.640 ppm2      7.247 CV     1
 OR {  723}
   (( segid B    and resid 101  and name HA  ))
   (  segid B    and resid 101  and name HD% )
 ASSI {  724}
   (( segid A    and resid 101  and name HB1 ))
   (  segid A    and resid 101  and name HD% )
      2.500     0.800     0.800 peak   724 spectrum    1 weight  0.11000E+01 volume  0.56670E-02 ppm1      3.094 ppm2      7.246 CV     1
 OR {  724}
   (( segid B    and resid 101  and name HB1 ))
   (  segid B    and resid 101  and name HD% )
 ASSI {  725}
   (( segid A    and resid 101  and name HB2 ))
   (  segid A    and resid 101  and name HD% )
      2.400     0.700     0.700 peak   725 spectrum    1 weight  0.11000E+01 volume  0.64870E-02 ppm1      3.224 ppm2      7.248 CV     1
 OR {  725}
   (( segid B    and resid 101  and name HB2 ))
   (  segid B    and resid 101  and name HD% )
 ASSI {  726}
   (( segid B    and resid 101  and name HZ  ))
   (  segid B    and resid 101  and name HD% )
      3.800     1.800     1.800 peak   726 spectrum    1 weight  0.11000E+01 volume  0.11038E-02 ppm1      6.620 ppm2      7.244 CV     1
 OR {  726}
   (( segid A    and resid 101  and name HZ  ))
   (  segid A    and resid 101  and name HD% )
 ASSI {  727}
   (( segid B    and resid 101  and name HZ  ))
   (  segid B    and resid 101  and name HE% )
      2.100     0.600     0.600 peak   727 spectrum    1 weight  0.11000E+01 volume  0.14251E-01 ppm1      6.616 ppm2      6.849 CV     1
 OR {  727}
   (( segid A    and resid 101  and name HZ  ))
   (  segid A    and resid 101  and name HE% )
 ASSI {  729}
   (  segid B    and resid 101  and name HD% )
   (  segid B    and resid 101  and name HE% )
      2.000     0.500     0.500 peak   729 spectrum    1 weight  0.11000E+01 volume  0.17281E-01 ppm1      7.267 ppm2      6.850 CV     1
 OR {  729}
   (  segid A    and resid 101  and name HD% )
   (  segid A    and resid 101  and name HE% )
 ASSI {  732}
   (( segid A    and resid 104  and name HB1 ))
   (( segid A    and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   732 spectrum    1 weight  0.11000E+01 volume  0.26420E-02 ppm1      3.116 ppm2      5.492 CV     1
 OR {  732}
   (( segid B    and resid 104  and name HB1 ))
   (( segid B    and resid 104  and name HA  ))
 ASSI {  733}
   (( segid A    and resid 104  and name HB2 ))
   (( segid A    and resid 104  and name HA  ))
      3.300     1.400     1.400 peak   733 spectrum    1 weight  0.11000E+01 volume  0.95226E-03 ppm1      3.357 ppm2      5.489 CV     1
 OR {  733}
   (( segid B    and resid 104  and name HB2 ))
   (( segid B    and resid 104  and name HA  ))
 ASSI {  734}
   (( segid A    and resid 104  and name HB2 ))
   (( segid A    and resid 104  and name HE3 ))
      3.000     1.100     1.100 peak   734 spectrum    1 weight  0.11000E+01 volume  0.17116E-02 ppm1      3.347 ppm2      7.163 CV     1
 OR {  734}
   (( segid B    and resid 104  and name HB2 ))
   (( segid B    and resid 104  and name HE3 ))
 ASSI {  736}
   (( segid B    and resid 104  and name HE3 ))
   (( segid B    and resid 104  and name HZ3 ))
      2.200     0.600     0.600 peak   736 spectrum    1 weight  0.11000E+01 volume  0.12298E-01 ppm1      7.189 ppm2      7.391 CV     1
 OR {  736}
   (( segid A    and resid 104  and name HE3 ))
   (( segid A    and resid 104  and name HZ3 ))
 ASSI {  737}
   (( segid B    and resid 104  and name HH2 ))
   (( segid B    and resid 104  and name HE3 ))
      2.800     1.000     1.000 peak   737 spectrum    1 weight  0.11000E+01 volume  0.75765E-02 ppm1      7.678 ppm2      7.161 CV     1
 OR {  737}
   (( segid A    and resid 104  and name HH2 ))
   (( segid A    and resid 104  and name HE3 ))
 ASSI {  738}
   (( segid B    and resid 104  and name HH2 ))
   (( segid B    and resid 104  and name HZ2 ))
      3.200     1.200     1.200 peak   738 spectrum    1 weight  0.11000E+01 volume  0.13524E-02 ppm1      7.679 ppm2      6.839 CV     1
 OR {  738}
   (( segid A    and resid 104  and name HH2 ))
   (( segid A    and resid 104  and name HZ2 ))
 ASSI {  743}
   (( segid B    and resid 501  and name H9  ))
   (  segid B    and resid 501  and name HM8%)
      2.400     0.700     0.700 peak   743 spectrum    1 weight  0.11000E+01 volume  0.69208E-02 ppm1      7.986 ppm2      1.316 CV     1
 OR {  743}
   (( segid A    and resid 501  and name H9  ))
   (  segid A    and resid 501  and name HM8%)
 ASSI {  744}
   (  segid A    and resid 501  and name HM7%)
   (  segid A    and resid 21   and name HE% )
      3.500     0.800     0.800 peak   744 spectrum    1 weight  0.11000E+01 volume  0.22693E-02 ppm1      1.213 ppm2      6.683 CV     1
 OR {  744}
   (  segid B    and resid 501  and name HM7%)
   (  segid B    and resid 21   and name HE% )
 ASSI {  745}
   (  segid B    and resid 501  and name HM8%)
   (( segid B    and resid 85   and name HE1 ))
      2.600     0.900     0.900 peak   745 spectrum    1 weight  0.11000E+01 volume  0.17584E-02 ppm1      1.330 ppm2      7.171 CV     1
 OR {  745}
   (  segid A    and resid 501  and name HM8%)
   (( segid A    and resid 85   and name HE1 ))
 ASSI {  746}
   (  segid A    and resid 501  and name HM8%)
   (( segid A    and resid 85   and name HD2 ))
      2.900     1.100     1.100 peak   746 spectrum    1 weight  0.11000E+01 volume  0.23119E-02 ppm1      1.337 ppm2      7.523 CV     1
 OR {  746}
   (  segid B    and resid 501  and name HM8%)
   (( segid B    and resid 85   and name HD2 ))
 ASSI {    3}
   (( segid A    and resid 79   and name HN  ))
   (( segid A    and resid 79   and name HG11))
      3.000     1.100     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.10746E-02 ppm1      8.568 ppm2     -0.909 CV     1
 OR {    3}
   (( segid B    and resid 79   and name HN  ))
   (( segid B    and resid 79   and name HG11))
 ASSI {    4}
   (( segid B    and resid 41   and name HN  ))
   (  segid B    and resid 37   and name HG2%)
      3.200     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.58539E-03 ppm1      7.796 ppm2     -0.675 CV     1
 OR {    4}
   (( segid A    and resid 41   and name HN  ))
   (  segid A    and resid 37   and name HG2%)
 ASSI {    6}
   (( segid B    and resid 37   and name HN  ))
   (  segid B    and resid 37   and name HG2%)
      3.100     1.200     1.200 peak     6 spectrum    1 weight  0.10000E+01 volume  0.18287E-02 ppm1      7.894 ppm2     -0.664 CV     1
 OR {    6}
   (( segid A    and resid 37   and name HN  ))
   (  segid A    and resid 37   and name HG2%)
 ASSI {    9}
   (( segid B    and resid 79   and name HN  ))
   (  segid B    and resid 79   and name HG2%)
      3.500     1.500     1.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.12110E-02 ppm1      8.570 ppm2      0.109 CV     1
 OR {    9}
   (( segid A    and resid 79   and name HN  ))
   (  segid A    and resid 79   and name HG2%)
 ASSI {   11}
   (( segid A    and resid 82   and name HN  ))
   (  segid A    and resid 88   and name HG1%)
      3.600     1.600     1.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.90416E-03 ppm1      7.329 ppm2      0.114 CV     1
 OR {   11}
   (( segid B    and resid 82   and name HN  ))
   (  segid B    and resid 88   and name HG1%)
 ASSI {   12}
   (( segid B    and resid 81   and name HN  ))
   (  segid B    and resid 79   and name HG2%)
      4.200     2.200     1.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.67814E-03 ppm1      7.028 ppm2      0.114 CV     1
 OR {   12}
   (( segid A    and resid 81   and name HN  ))
   (  segid A    and resid 79   and name HG2%)
 ASSI {   14}
   (( segid A    and resid 24   and name HN  ))
   (  segid A    and resid 88   and name HG1%)
      4.000     2.000     2.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.84715E-03 ppm1      8.837 ppm2      0.131 CV     1
 OR {   14}
   (( segid B    and resid 24   and name HN  ))
   (  segid B    and resid 88   and name HG1%)
 ASSI {   15}
   (( segid A    and resid 88   and name HN  ))
   (  segid A    and resid 88   and name HG1%)
      2.200     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.16000E-01 ppm1      7.934 ppm2      0.132 CV     1
 OR {   15}
   (( segid B    and resid 88   and name HN  ))
   (  segid B    and resid 88   and name HG1%)
 ASSI {   16}
   (( segid B    and resid 80   and name HE22))
   (  segid B    and resid 88   and name HG1%)
      3.500     1.500     1.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.10560E-02 ppm1      6.844 ppm2      0.132 CV     1
 OR {   16}
   (( segid A    and resid 80   and name HE22))
   (  segid A    and resid 88   and name HG1%)
 ASSI {   18}
   (( segid B    and resid 86   and name HN  ))
   (  segid B    and resid 88   and name HG1%)
      4.300     2.300     1.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.50573E-03 ppm1      9.309 ppm2      0.136 CV     1
 OR {   18}
   (( segid A    and resid 86   and name HN  ))
   (  segid A    and resid 88   and name HG1%)
 ASSI {   19}
   (( segid A    and resid 80   and name HE21))
   (  segid A    and resid 88   and name HG1%)
      3.500     1.600     1.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.92217E-03 ppm1      6.648 ppm2      0.142 CV     1
 OR {   19}
   (( segid B    and resid 80   and name HE21))
   (  segid B    and resid 88   and name HG1%)
 ASSI {   20}
   (( segid B    and resid 85   and name HN  ))
   (  segid B    and resid 88   and name HG1%)
      3.800     1.800     1.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.73826E-03 ppm1      8.303 ppm2      0.144 CV     1
 OR {   20}
   (( segid A    and resid 85   and name HN  ))
   (  segid A    and resid 88   and name HG1%)
 ASSI {   21}
   (( segid B    and resid 80   and name HN  ))
   (  segid B    and resid 79   and name HD1%)
      3.800     1.800     1.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.12368E-02 ppm1      8.443 ppm2      0.159 CV     1
 OR {   21}
   (( segid A    and resid 80   and name HN  ))
   (  segid A    and resid 79   and name HD1%)
 ASSI {   22}
   (( segid B    and resid 79   and name HN  ))
   (  segid B    and resid 79   and name HD1%)
      4.200     2.200     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.99139E-03 ppm1      8.561 ppm2      0.171 CV     1
 OR {   22}
   (( segid A    and resid 79   and name HN  ))
   (  segid A    and resid 79   and name HD1%)
 ASSI {   23}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 37   and name HG11))
      3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.16337E-02 ppm1      7.895 ppm2      0.203 CV     1
 OR {   23}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 37   and name HG11))
 ASSI {   25}
   (( segid A    and resid 88   and name HN  ))
   (  segid A    and resid 88   and name HG2%)
      3.100     1.200     1.200 peak    25 spectrum    1 weight  0.10000E+01 volume  0.56872E-02 ppm1      7.933 ppm2      0.220 CV     1
 OR {   25}
   (( segid B    and resid 88   and name HN  ))
   (  segid B    and resid 88   and name HG2%)
 ASSI {   27}
   (( segid B    and resid 80   and name HE21))
   (  segid B    and resid 88   and name HG2%)
      2.900     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.28575E-02 ppm1      6.649 ppm2      0.221 CV     1
 OR {   27}
   (( segid A    and resid 80   and name HE21))
   (  segid A    and resid 88   and name HG2%)
 ASSI {   28}
   (( segid B    and resid 22   and name HN  ))
   (  segid B    and resid 88   and name HG2%)
      4.200     2.200     1.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.60892E-03 ppm1      8.689 ppm2      0.223 CV     1
 OR {   28}
   (( segid A    and resid 22   and name HN  ))
   (  segid A    and resid 88   and name HG2%)
 ASSI {   29}
   (( segid B    and resid 80   and name HE22))
   (  segid B    and resid 88   and name HG2%)
      3.100     1.200     1.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.22857E-02 ppm1      6.844 ppm2      0.225 CV     1
 OR {   29}
   (( segid A    and resid 80   and name HE22))
   (  segid A    and resid 88   and name HG2%)
 ASSI {   30}
   (( segid B    and resid 38   and name HN  ))
   (  segid B    and resid 37   and name HD1%)
      3.100     1.200     1.200 peak    30 spectrum    1 weight  0.10000E+01 volume  0.68645E-03 ppm1      8.442 ppm2      0.445 CV     1
 OR {   30}
   (( segid A    and resid 38   and name HN  ))
   (  segid A    and resid 37   and name HD1%)
 ASSI {   31}
   (( segid A    and resid 84   and name HE  ))
   (  segid A    and resid 37   and name HD1%)
      3.900     1.900     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.36831E-03 ppm1      9.080 ppm2      0.449 CV     1
 OR {   31}
   (( segid B    and resid 84   and name HE  ))
   (  segid B    and resid 37   and name HD1%)
 ASSI {   32}
   (( segid B    and resid 37   and name HN  ))
   (  segid B    and resid 37   and name HD1%)
      3.400     1.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.19994E-02 ppm1      7.894 ppm2      0.452 CV     1
 OR {   32}
   (( segid A    and resid 37   and name HN  ))
   (  segid A    and resid 37   and name HD1%)
 ASSI {   34}
   (( segid B    and resid 54   and name HN  ))
   (  segid B    and resid 53   and name HB% )
      3.600     1.600     1.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.11788E-02 ppm1      7.781 ppm2      0.613 CV     1
 OR {   34}
   (( segid A    and resid 54   and name HN  ))
   (  segid A    and resid 53   and name HB% )
 ASSI {   35}
   (( segid B    and resid 53   and name HN  ))
   (  segid B    and resid 53   and name HB% )
      3.300     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.12195E-02 ppm1      7.974 ppm2      0.613 CV     1
 OR {   35}
   (( segid A    and resid 53   and name HN  ))
   (  segid A    and resid 53   and name HB% )
 ASSI {   36}
   (( segid A    and resid 105  and name HN  ))
   (  segid A    and resid 53   and name HB% )
      2.900     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.10626E-02 ppm1      6.321 ppm2      0.616 CV     1
 OR {   36}
   (( segid B    and resid 105  and name HN  ))
   (  segid B    and resid 53   and name HB% )
 ASSI {   37}
   (( segid A    and resid 80   and name HE22))
   (  segid A    and resid 90   and name HD1%)
      2.600     0.800     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.38329E-02 ppm1      6.845 ppm2      0.649 CV     1
 OR {   37}
   (( segid B    and resid 80   and name HE22))
   (  segid B    and resid 90   and name HD1%)
 ASSI {   39}
   (( segid B    and resid 80   and name HE21))
   (  segid B    and resid 90   and name HD1%)
      2.600     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.43008E-02 ppm1      6.649 ppm2      0.655 CV     1
 OR {   39}
   (( segid A    and resid 80   and name HE21))
   (  segid A    and resid 90   and name HD1%)
 ASSI {   42}
   (( segid A    and resid 92   and name HN  ))
   (  segid A    and resid 90   and name HD1%)
      3.000     3.000     3.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.80090E-03 ppm1      7.732 ppm2      0.658 CV     1
 OR {   42}
   (( segid B    and resid 92   and name HN  ))
   (  segid B    and resid 90   and name HD1%)
 ASSI {   46}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 96   and name HG11))
      3.500     1.500     1.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.10881E-02 ppm1      8.093 ppm2      0.676 CV     1
 OR {   46}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 96   and name HG11))
 ASSI {   48}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 96   and name HG11))
      2.300     0.600     0.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.49722E-02 ppm1      7.866 ppm2      0.679 CV     1
 OR {   48}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 96   and name HG11))
 ASSI {   49}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 96   and name HG11))
      4.000     2.000     2.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.99707E-03 ppm1      9.024 ppm2      0.680 CV     1
 OR {   49}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 96   and name HG11))
 ASSI {   50}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 96   and name HG11))
      2.700     0.900     0.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.12368E-02 ppm1      7.371 ppm2      0.681 CV     1
 OR {   50}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 96   and name HG11))
 ASSI {   51}
   (( segid B    and resid 34   and name HN  ))
   (  segid B    and resid 34   and name HD1%)
      3.800     1.800     1.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.11834E-02 ppm1      7.663 ppm2      0.728 CV     1
 OR {   51}
   (( segid A    and resid 34   and name HN  ))
   (  segid A    and resid 34   and name HD1%)
 ASSI {   52}
   (( segid A    and resid 72   and name HN  ))
   (  segid A    and resid 72   and name HG2%)
      2.100     0.500     0.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.77865E-02 ppm1      8.353 ppm2      0.733 CV     1
 OR {   52}
   (( segid B    and resid 72   and name HN  ))
   (  segid B    and resid 72   and name HG2%)
 ASSI {   55}
   (( segid A    and resid 73   and name HN  ))
   (  segid A    and resid 72   and name HG2%)
      3.200     1.300     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.36409E-02 ppm1      8.259 ppm2      0.734 CV     1
 OR {   55}
   (( segid B    and resid 73   and name HN  ))
   (  segid B    and resid 72   and name HG2%)
 ASSI {   56}
   (( segid A    and resid 67   and name HN  ))
   (  segid A    and resid 72   and name HG2%)
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.39410E-02 ppm1      8.587 ppm2      0.735 CV     1
 OR {   56}
   (( segid B    and resid 67   and name HN  ))
   (  segid B    and resid 72   and name HG2%)
 ASSI {   57}
   (( segid B    and resid 37   and name HN  ))
   (  segid B    and resid 34   and name HD1%)
      3.900     1.900     1.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.65941E-03 ppm1      7.893 ppm2      0.739 CV     1
 OR {   57}
   (( segid A    and resid 37   and name HN  ))
   (  segid A    and resid 34   and name HD1%)
 ASSI {   58}
   (( segid B    and resid 17   and name HN  ))
   (  segid B    and resid 72   and name HG2%)
      2.600     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.41010E-02 ppm1      9.114 ppm2      0.741 CV     1
 OR {   58}
   (( segid A    and resid 17   and name HN  ))
   (  segid A    and resid 72   and name HG2%)
 ASSI {   59}
   (( segid B    and resid 68   and name HN  ))
   (  segid B    and resid 72   and name HG2%)
      3.000     1.100     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.25240E-02 ppm1      9.456 ppm2      0.741 CV     1
 OR {   59}
   (( segid A    and resid 68   and name HN  ))
   (  segid A    and resid 72   and name HG2%)
 ASSI {   60}
   (( segid B    and resid 16   and name HN  ))
   (  segid B    and resid 16   and name HD1%)
      2.800     1.000     1.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.41665E-02 ppm1      8.095 ppm2      0.751 CV     1
 OR {   60}
   (( segid A    and resid 16   and name HN  ))
   (  segid A    and resid 16   and name HD1%)
 ASSI {   61}
   (( segid A    and resid 15   and name HN  ))
   (  segid A    and resid 16   and name HD1%)
      3.500     1.500     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.92492E-03 ppm1      8.334 ppm2      0.774 CV     1
 OR {   61}
   (( segid B    and resid 15   and name HN  ))
   (  segid B    and resid 16   and name HD1%)
 ASSI {   63}
   (( segid B    and resid 16   and name HN  ))
   (  segid B    and resid 16   and name HD2%)
      2.400     0.700     0.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.43495E-02 ppm1      8.094 ppm2      0.780 CV     1
 OR {   63}
   (( segid A    and resid 16   and name HN  ))
   (  segid A    and resid 16   and name HD2%)
 ASSI {   64}
   (( segid B    and resid 98   and name HN  ))
   (  segid B    and resid 16   and name HD2%)
      2.900     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.23258E-02 ppm1      7.370 ppm2      0.784 CV     1
 OR {   64}
   (( segid A    and resid 98   and name HN  ))
   (  segid A    and resid 16   and name HD2%)
 ASSI {   65}
   (( segid B    and resid 31   and name HN  ))
   (  segid B    and resid 31   and name HD1%)
      4.400     2.400     1.600 peak    65 spectrum    1 weight  0.10000E+01 volume  0.81562E-03 ppm1      8.859 ppm2      0.784 CV     1
 OR {   65}
   (( segid A    and resid 31   and name HN  ))
   (  segid A    and resid 31   and name HD1%)
 ASSI {   66}
   (( segid A    and resid 35   and name HN  ))
   (  segid A    and resid 31   and name HD1%)
      3.600     1.600     1.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.62190E-03 ppm1      8.589 ppm2      0.784 CV     1
 OR {   66}
   (( segid B    and resid 35   and name HN  ))
   (  segid B    and resid 31   and name HD1%)
 ASSI {   67}
   (( segid B    and resid 71   and name HN  ))
   (  segid B    and resid 72   and name HG1%)
      4.300     2.300     1.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.11471E-02 ppm1      7.411 ppm2      0.786 CV     1
 OR {   67}
   (( segid A    and resid 71   and name HN  ))
   (  segid A    and resid 72   and name HG1%)
 ASSI {   68}
   (( segid B    and resid 96   and name HN  ))
   (  segid B    and resid 16   and name HD2%)
      3.800     1.800     1.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      7.866 ppm2      0.786 CV     1
 OR {   68}
   (( segid A    and resid 96   and name HN  ))
   (  segid A    and resid 16   and name HD2%)
 ASSI {   70}
   (( segid A    and resid 72   and name HN  ))
   (  segid A    and resid 72   and name HG1%)
      3.500     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.36531E-02 ppm1      8.354 ppm2      0.788 CV     1
 OR {   70}
   (( segid B    and resid 72   and name HN  ))
   (  segid B    and resid 72   and name HG1%)
 ASSI {   72}
   (( segid A    and resid 17   and name HN  ))
   (  segid A    and resid 16   and name HD2%)
      4.100     2.100     1.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.26451E-02 ppm1      9.112 ppm2      0.790 CV     1
 OR {   72}
   (( segid B    and resid 17   and name HN  ))
   (  segid B    and resid 16   and name HD2%)
 ASSI {   75}
   (( segid A    and resid 34   and name HN  ))
   (  segid A    and resid 31   and name HD1%)
      3.600     1.700     1.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.69932E-03 ppm1      7.667 ppm2      0.790 CV     1
 OR {   75}
   (( segid B    and resid 34   and name HN  ))
   (  segid B    and resid 31   and name HD1%)
 ASSI {   76}
   (( segid A    and resid 32   and name HN  ))
   (  segid A    and resid 31   and name HD1%)
      3.600     1.600     1.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      8.204 ppm2      0.792 CV     1
 OR {   76}
   (( segid B    and resid 32   and name HN  ))
   (  segid B    and resid 31   and name HD1%)
 ASSI {   77}
   (( segid A    and resid 73   and name HN  ))
   (  segid A    and resid 72   and name HG1%)
      3.200     1.300     1.300 peak    77 spectrum    1 weight  0.10000E+01 volume  0.45437E-02 ppm1      8.259 ppm2      0.795 CV     1
 OR {   77}
   (( segid B    and resid 73   and name HN  ))
   (  segid B    and resid 72   and name HG1%)
 ASSI {   79}
   (( segid B    and resid 79   and name HN  ))
   (  segid B    and resid 75   and name HG2%)
      3.200     3.200     2.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.59385E-03 ppm1      8.569 ppm2      0.837 CV     1
 OR {   79}
   (( segid A    and resid 79   and name HN  ))
   (  segid A    and resid 75   and name HG2%)
 ASSI {   82}
   (( segid B    and resid 76   and name HN  ))
   (  segid B    and resid 75   and name HG2%)
      4.300     2.300     1.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.10041E-02 ppm1      8.498 ppm2      0.854 CV     1
 OR {   82}
   (( segid A    and resid 76   and name HN  ))
   (  segid A    and resid 75   and name HG2%)
 ASSI {   88}
   (( segid A    and resid 67   and name HN  ))
   (  segid A    and resid 17   and name HG1%)
      3.200     1.300     1.300 peak    88 spectrum    1 weight  0.10000E+01 volume  0.17012E-02 ppm1      8.586 ppm2      0.859 CV     1
 OR {   88}
   (( segid B    and resid 67   and name HN  ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {   91}
   (( segid B    and resid 17   and name HN  ))
   (  segid B    and resid 17   and name HG1%)
      2.600     0.900     0.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.69202E-02 ppm1      9.113 ppm2      0.863 CV     1
 OR {   91}
   (( segid A    and resid 17   and name HN  ))
   (  segid A    and resid 17   and name HG1%)
 ASSI {   93}
   (( segid A    and resid 16   and name HN  ))
   (  segid A    and resid 17   and name HG1%)
      3.800     3.800     2.200 peak    93 spectrum    1 weight  0.10000E+01 volume  0.14965E-02 ppm1      8.094 ppm2      0.865 CV     1
 OR {   93}
   (( segid B    and resid 16   and name HN  ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {   94}
   (( segid B    and resid 18   and name HN  ))
   (  segid B    and resid 17   and name HG1%)
      2.800     0.900     0.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.29426E-02 ppm1      9.028 ppm2      0.866 CV     1
 OR {   94}
   (( segid A    and resid 18   and name HN  ))
   (  segid A    and resid 17   and name HG1%)
 ASSI {   95}
   (( segid B    and resid 94   and name HN  ))
   (  segid B    and resid 17   and name HG1%)
      3.300     1.300     1.300 peak    95 spectrum    1 weight  0.10000E+01 volume  0.11069E-02 ppm1      8.713 ppm2      0.867 CV     1
 OR {   95}
   (( segid A    and resid 94   and name HN  ))
   (  segid A    and resid 17   and name HG1%)
 ASSI {   96}
   (( segid A    and resid 96   and name HN  ))
   (  segid A    and resid 17   and name HG1%)
      2.800     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.13224E-02 ppm1      7.866 ppm2      0.869 CV     1
 OR {   96}
   (( segid B    and resid 96   and name HN  ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {  101}
   (( segid B    and resid 23   and name HN  ))
   (  segid B    and resid 24   and name HD1%)
      3.500     1.500     1.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.13297E-02 ppm1      9.672 ppm2      0.900 CV     1
 OR {  101}
   (( segid A    and resid 23   and name HN  ))
   (  segid A    and resid 24   and name HD1%)
 ASSI {  102}
   (( segid A    and resid 73   and name HN  ))
   (  segid A    and resid 50   and name HD1%)
      2.500     2.500     3.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.25854E-02 ppm1      8.258 ppm2      0.902 CV     1
 OR {  102}
   (( segid B    and resid 73   and name HN  ))
   (  segid B    and resid 50   and name HD1%)
 ASSI {  103}
   (( segid A    and resid 61   and name HN  ))
   (  segid A    and resid 24   and name HD1%)
      3.500     1.500     1.500 peak   103 spectrum    1 weight  0.10000E+01 volume  0.12555E-02 ppm1      8.743 ppm2      0.904 CV     1
 OR {  103}
   (( segid B    and resid 61   and name HN  ))
   (  segid B    and resid 24   and name HD1%)
 ASSI {  104}
   (( segid B    and resid 26   and name HN  ))
   (  segid B    and resid 29   and name HD1%)
      3.400     1.400     1.400 peak   104 spectrum    1 weight  0.10000E+01 volume  0.11207E-02 ppm1      8.401 ppm2      0.906 CV     1
 OR {  104}
   (( segid A    and resid 26   and name HN  ))
   (  segid A    and resid 29   and name HD1%)
 ASSI {  106}
   (( segid A    and resid 72   and name HN  ))
   (  segid A    and resid 50   and name HD1%)
      3.000     1.100     1.100 peak   106 spectrum    1 weight  0.10000E+01 volume  0.27207E-02 ppm1      8.355 ppm2      0.910 CV     1
 OR {  106}
   (( segid B    and resid 72   and name HN  ))
   (  segid B    and resid 50   and name HD1%)
 ASSI {  107}
   (( segid A    and resid 71   and name HN  ))
   (  segid A    and resid 50   and name HD1%)
      3.800     1.800     1.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.17085E-02 ppm1      7.413 ppm2      0.910 CV     1
 OR {  107}
   (( segid B    and resid 71   and name HN  ))
   (  segid B    and resid 50   and name HD1%)
 ASSI {  112}
   (( segid A    and resid 68   and name HN  ))
   (  segid A    and resid 50   and name HD1%)
      3.200     1.300     1.300 peak   112 spectrum    1 weight  0.10000E+01 volume  0.18717E-02 ppm1      9.457 ppm2      0.914 CV     1
 OR {  112}
   (( segid B    and resid 68   and name HN  ))
   (  segid B    and resid 50   and name HD1%)
 ASSI {  114}
   (( segid B    and resid 51   and name HN  ))
   (  segid B    and resid 50   and name HD1%)
      3.500     1.500     1.500 peak   114 spectrum    1 weight  0.10000E+01 volume  0.23833E-02 ppm1      8.777 ppm2      0.915 CV     1
 OR {  114}
   (( segid A    and resid 51   and name HN  ))
   (  segid A    and resid 50   and name HD1%)
 ASSI {  115}
   (( segid B    and resid 50   and name HN  ))
   (  segid B    and resid 50   and name HD1%)
      3.300     1.400     1.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.15399E-02 ppm1      8.995 ppm2      0.915 CV     1
 OR {  115}
   (( segid A    and resid 50   and name HN  ))
   (  segid A    and resid 50   and name HD1%)
 ASSI {  116}
   (( segid B    and resid 34   and name HN  ))
   (  segid B    and resid 29   and name HD1%)
      3.600     1.600     1.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.65941E-03 ppm1      7.664 ppm2      0.915 CV     1
 OR {  116}
   (( segid A    and resid 34   and name HN  ))
   (  segid A    and resid 29   and name HD1%)
 ASSI {  117}
   (( segid A    and resid 76   and name HN  ))
   (  segid A    and resid 90   and name HG2%)
      2.900     2.900     3.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.38796E-02 ppm1      8.498 ppm2      0.916 CV     1
 OR {  117}
   (( segid B    and resid 76   and name HN  ))
   (  segid B    and resid 90   and name HG2%)
 ASSI {  118}
   (( segid A    and resid 25   and name HN  ))
   (  segid A    and resid 24   and name HD1%)
      3.800     1.800     1.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.14913E-02 ppm1      8.441 ppm2      0.916 CV     1
 OR {  118}
   (( segid B    and resid 25   and name HN  ))
   (  segid B    and resid 24   and name HD1%)
 ASSI {  122}
   (( segid A    and resid 59   and name HN  ))
   (  segid A    and resid 60   and name HG1%)
      4.200     2.200     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.60395E-03 ppm1      6.501 ppm2      0.917 CV     1
 OR {  122}
   (( segid B    and resid 59   and name HN  ))
   (  segid B    and resid 60   and name HG1%)
 ASSI {  123}
   (( segid B    and resid 108  and name HN  ))
   (  segid B    and resid 54   and name HD1%)
      3.100     1.200     1.200 peak   123 spectrum    1 weight  0.10000E+01 volume  0.67652E-03 ppm1      7.764 ppm2      0.920 CV     1
 OR {  123}
   (( segid A    and resid 108  and name HN  ))
   (  segid A    and resid 54   and name HD1%)
 ASSI {  125}
   (( segid B    and resid 98   and name HN  ))
   (  segid B    and resid 96   and name HD1%)
      2.600     0.900     0.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.30667E-02 ppm1      7.370 ppm2      0.925 CV     1
 OR {  125}
   (( segid A    and resid 98   and name HN  ))
   (  segid A    and resid 96   and name HD1%)
 ASSI {  126}
   (( segid B    and resid 92   and name HN  ))
   (  segid B    and resid 90   and name HG2%)
      2.300     0.700     0.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.94102E-02 ppm1      7.734 ppm2      0.926 CV     1
 OR {  126}
   (( segid A    and resid 92   and name HN  ))
   (  segid A    and resid 90   and name HG2%)
 ASSI {  127}
   (( segid A    and resid 99   and name HN  ))
   (  segid A    and resid 96   and name HD1%)
      2.800     1.000     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.11305E-02 ppm1      8.512 ppm2      0.926 CV     1
 OR {  127}
   (( segid B    and resid 99   and name HN  ))
   (  segid B    and resid 96   and name HD1%)
 ASSI {  128}
   (( segid B    and resid 93   and name HN  ))
   (  segid B    and resid 90   and name HG2%)
      3.400     1.400     1.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.20718E-02 ppm1      8.444 ppm2      0.927 CV     1
 OR {  128}
   (( segid A    and resid 93   and name HN  ))
   (  segid A    and resid 90   and name HG2%)
 ASSI {  132}
   (( segid B    and resid 20   and name HN  ))
   (  segid B    and resid 90   and name HG2%)
      3.200     1.300     1.300 peak   132 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      8.767 ppm2      0.930 CV     1
 OR {  132}
   (( segid A    and resid 20   and name HN  ))
   (  segid A    and resid 90   and name HG2%)
 ASSI {  134}
   (( segid A    and resid 94   and name HN  ))
   (  segid A    and resid 17   and name HG2%)
      3.600     1.600     1.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.10811E-02 ppm1      8.722 ppm2      0.939 CV     1
 OR {  134}
   (( segid B    and resid 94   and name HN  ))
   (  segid B    and resid 17   and name HG2%)
 ASSI {  135}
   (( segid B    and resid 96   and name HN  ))
   (  segid B    and resid 96   and name HD1%)
      3.200     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.46295E-02 ppm1      7.866 ppm2      0.939 CV     1
 OR {  135}
   (( segid A    and resid 96   and name HN  ))
   (  segid A    and resid 96   and name HD1%)
 ASSI {  136}
   (( segid A    and resid 16   and name HN  ))
   (  segid A    and resid 17   and name HG2%)
      3.100     1.200     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.25754E-02 ppm1      8.094 ppm2      0.939 CV     1
 OR {  136}
   (( segid B    and resid 16   and name HN  ))
   (  segid B    and resid 17   and name HG2%)
 ASSI {  137}
   (( segid B    and resid 17   and name HN  ))
   (  segid B    and resid 17   and name HG2%)
      2.800     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.44132E-02 ppm1      9.112 ppm2      0.940 CV     1
 OR {  137}
   (( segid A    and resid 17   and name HN  ))
   (  segid A    and resid 17   and name HG2%)
 ASSI {  141}
   (( segid A    and resid 48   and name HN  ))
   (  segid A    and resid 50   and name HD2%)
      3.700     1.700     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.96632E-03 ppm1      8.172 ppm2      0.953 CV     1
 OR {  141}
   (( segid B    and resid 48   and name HN  ))
   (  segid B    and resid 50   and name HD2%)
 ASSI {  142}
   (( segid A    and resid 65   and name HN  ))
   (  segid A    and resid 65   and name HD1%)
      5.400     3.600     0.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.37382E-03 ppm1      9.588 ppm2      0.954 CV     1
 OR {  142}
   (( segid B    and resid 65   and name HN  ))
   (  segid B    and resid 65   and name HD1%)
 ASSI {  143}
   (( segid A    and resid 80   and name HE21))
   (  segid A    and resid 90   and name HG2%)
      4.300     2.300     1.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.79624E-03 ppm1      6.650 ppm2      0.954 CV     1
 OR {  143}
   (( segid B    and resid 80   and name HE21))
   (  segid B    and resid 90   and name HG2%)
 ASSI {  146}
   (( segid A    and resid 49   and name HN  ))
   (  segid A    and resid 50   and name HD2%)
      3.700     1.700     1.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.99612E-03 ppm1      7.554 ppm2      0.959 CV     1
 OR {  146}
   (( segid B    and resid 49   and name HN  ))
   (  segid B    and resid 50   and name HD2%)
 ASSI {  147}
   (( segid A    and resid 50   and name HN  ))
   (  segid A    and resid 50   and name HD2%)
      3.100     1.200     1.200 peak   147 spectrum    1 weight  0.10000E+01 volume  0.17510E-02 ppm1      8.997 ppm2      0.960 CV     1
 OR {  147}
   (( segid B    and resid 50   and name HN  ))
   (  segid B    and resid 50   and name HD2%)
 ASSI {  149}
   (( segid A    and resid 21   and name HN  ))
   (  segid A    and resid 65   and name HD2%)
      4.000     2.000     2.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.83106E-03 ppm1      8.764 ppm2      0.968 CV     1
 OR {  149}
   (( segid B    and resid 21   and name HN  ))
   (  segid B    and resid 65   and name HD2%)
 ASSI {  150}
   (( segid A    and resid 19   and name HN  ))
   (  segid A    and resid 65   and name HD1%)
      4.500     2.500     1.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.51957E-03 ppm1      9.416 ppm2      0.972 CV     1
 OR {  150}
   (( segid B    and resid 19   and name HN  ))
   (  segid B    and resid 65   and name HD1%)
 ASSI {  151}
   (( segid B    and resid 51   and name HN  ))
   (  segid B    and resid 50   and name HD2%)
      4.100     2.100     1.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.91296E-03 ppm1      8.777 ppm2      0.974 CV     1
 OR {  151}
   (( segid A    and resid 51   and name HN  ))
   (  segid A    and resid 50   and name HD2%)
 ASSI {  153}
   (( segid B    and resid 87   and name HD21))
   (  segid B    and resid 24   and name HD2%)
      3.200     1.300     1.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.16252E-02 ppm1      6.919 ppm2      0.979 CV     1
 OR {  153}
   (( segid A    and resid 87   and name HD21))
   (  segid A    and resid 24   and name HD2%)
 ASSI {  154}
   (( segid A    and resid 87   and name HD22))
   (  segid A    and resid 24   and name HD2%)
      3.200     1.300     1.300 peak   154 spectrum    1 weight  0.10000E+01 volume  0.17046E-02 ppm1      7.362 ppm2      0.979 CV     1
 OR {  154}
   (( segid B    and resid 87   and name HD22))
   (  segid B    and resid 24   and name HD2%)
 ASSI {  155}
   (( segid B    and resid 22   and name HE  ))
   (  segid B    and resid 24   and name HD2%)
      3.800     1.800     1.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.68083E-03 ppm1      7.270 ppm2      0.987 CV     1
 OR {  155}
   (( segid A    and resid 22   and name HE  ))
   (  segid A    and resid 24   and name HD2%)
 ASSI {  157}
   (( segid A    and resid 24   and name HN  ))
   (  segid A    and resid 24   and name HD2%)
      3.300     1.400     1.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.10980E-02 ppm1      8.827 ppm2      0.991 CV     1
 OR {  157}
   (( segid B    and resid 24   and name HN  ))
   (  segid B    and resid 24   and name HD2%)
 ASSI {  160}
   (( segid A    and resid 9    and name HN  ))
   (  segid A    and resid 9    and name HG2%)
      1.800     0.400     0.400 peak   160 spectrum    1 weight  0.10000E+01 volume  0.50515E-01 ppm1      8.108 ppm2      1.005 CV     1
 OR {  160}
   (( segid B    and resid 9    and name HN  ))
   (( segid B    and resid 9    and name HG22))
 OR {  160}
   (( segid B    and resid 9    and name HN  ))
   (( segid B    and resid 9    and name HG23))
 ASSI {  161}
   (( segid A    and resid 10   and name HN  ))
   (  segid A    and resid 9    and name HG2%)
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.11926E-01 ppm1      8.314 ppm2      1.008 CV     1
 OR {  161}
   (( segid B    and resid 10   and name HN  ))
   (( segid B    and resid 9    and name HG22))
 OR {  161}
   (( segid B    and resid 10   and name HN  ))
   (( segid B    and resid 9    and name HG21))
 ASSI {  163}
   (( segid B    and resid 35   and name HN  ))
   (  segid B    and resid 35   and name HD2%)
      3.200     1.300     1.300 peak   163 spectrum    1 weight  0.10000E+01 volume  0.13486E-02 ppm1      8.590 ppm2      1.022 CV     1
 OR {  163}
   (( segid A    and resid 35   and name HN  ))
   (  segid A    and resid 35   and name HD2%)
 ASSI {  164}
   (( segid B    and resid 36   and name HN  ))
   (  segid B    and resid 35   and name HD2%)
      2.800     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.12491E-02 ppm1      8.577 ppm2      1.025 CV     1
 OR {  164}
   (( segid A    and resid 36   and name HN  ))
   (  segid A    and resid 35   and name HD2%)
 ASSI {  168}
   (( segid A    and resid 32   and name HN  ))
   (  segid A    and resid 31   and name HD2%)
      3.000     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.76973E-03 ppm1      8.209 ppm2      1.031 CV     1
 OR {  168}
   (( segid B    and resid 32   and name HN  ))
   (  segid B    and resid 31   and name HD2%)
 ASSI {  169}
   (( segid A    and resid 97   and name HN  ))
   (  segid A    and resid 96   and name HG2%)
      4.200     2.200     1.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.12383E-02 ppm1      8.586 ppm2      1.036 CV     1
 OR {  169}
   (( segid B    and resid 97   and name HN  ))
   (  segid B    and resid 96   and name HG2%)
 ASSI {  170}
   (( segid B    and resid 98   and name HN  ))
   (  segid B    and resid 96   and name HG2%)
      2.300     2.300     3.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.36469E-02 ppm1      7.370 ppm2      1.038 CV     1
 OR {  170}
   (( segid A    and resid 98   and name HN  ))
   (  segid A    and resid 96   and name HG2%)
 ASSI {  172}
   (( segid A    and resid 96   and name HN  ))
   (  segid A    and resid 96   and name HG2%)
      2.600     0.900     0.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.42880E-02 ppm1      7.865 ppm2      1.040 CV     1
 OR {  172}
   (( segid B    and resid 96   and name HN  ))
   (  segid B    and resid 96   and name HG2%)
 ASSI {  173}
   (( segid A    and resid 95   and name HN  ))
   (  segid A    and resid 96   and name HG2%)
      3.700     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.70315E-03 ppm1      8.771 ppm2      1.041 CV     1
 OR {  173}
   (( segid B    and resid 95   and name HN  ))
   (  segid B    and resid 96   and name HG2%)
 ASSI {  174}
   (( segid A    and resid 94   and name HN  ))
   (  segid A    and resid 96   and name HG2%)
      4.000     2.000     2.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.57530E-03 ppm1      8.713 ppm2      1.043 CV     1
 OR {  174}
   (( segid B    and resid 94   and name HN  ))
   (  segid B    and resid 96   and name HG2%)
 ASSI {  175}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 90   and name HG11))
      2.900     2.900     3.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.89645E-03 ppm1      7.733 ppm2      1.046 CV     1
 OR {  175}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 90   and name HG11))
 ASSI {  176}
   (( segid B    and resid 80   and name HE21))
   (( segid B    and resid 90   and name HG11))
      4.000     2.000     2.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.74335E-03 ppm1      6.649 ppm2      1.046 CV     1
 OR {  176}
   (( segid A    and resid 80   and name HE21))
   (( segid A    and resid 90   and name HG11))
 ASSI {  177}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 90   and name HG11))
      2.700     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.36959E-02 ppm1      8.729 ppm2      1.054 CV     1
 OR {  177}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 90   and name HG11))
 ASSI {  178}
   (( segid B    and resid 79   and name HN  ))
   (( segid B    and resid 79   and name HG12))
      3.200     1.300     1.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      8.562 ppm2      1.106 CV     1
 OR {  178}
   (( segid A    and resid 79   and name HN  ))
   (( segid A    and resid 79   and name HG12))
 ASSI {  179}
   (( segid A    and resid 49   and name HE22))
   (  segid A    and resid 48   and name HB% )
      3.200     1.300     1.300 peak   179 spectrum    1 weight  0.10000E+01 volume  0.57395E-03 ppm1      7.570 ppm2      1.146 CV     1
 OR {  179}
   (( segid B    and resid 49   and name HE22))
   (  segid B    and resid 48   and name HB% )
 ASSI {  180}
   (( segid A    and resid 47   and name HN  ))
   (  segid A    and resid 48   and name HB% )
      3.600     1.600     1.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.28262E-02 ppm1      7.173 ppm2      1.148 CV     1
 OR {  180}
   (( segid B    and resid 47   and name HN  ))
   (  segid B    and resid 48   and name HB% )
 ASSI {  181}
   (( segid A    and resid 48   and name HN  ))
   (  segid A    and resid 48   and name HB% )
      2.200     0.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.11121E-01 ppm1      8.166 ppm2      1.150 CV     1
 OR {  181}
   (( segid B    and resid 48   and name HN  ))
   (  segid B    and resid 48   and name HB% )
 ASSI {  182}
   (( segid A    and resid 49   and name HN  ))
   (  segid A    and resid 48   and name HB% )
      2.800     1.000     1.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.46469E-02 ppm1      7.551 ppm2      1.150 CV     1
 OR {  182}
   (( segid B    and resid 49   and name HN  ))
   (  segid B    and resid 48   and name HB% )
 ASSI {  184}
   (( segid A    and resid 52   and name HN  ))
   (  segid A    and resid 51   and name HG2%)
      4.000     2.000     2.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      9.077 ppm2      1.175 CV     1
 OR {  184}
   (( segid B    and resid 52   and name HN  ))
   (  segid B    and resid 51   and name HG2%)
 ASSI {  186}
   (( segid B    and resid 51   and name HN  ))
   (  segid B    and resid 51   and name HG2%)
      2.900     1.100     1.100 peak   186 spectrum    1 weight  0.10000E+01 volume  0.20655E-02 ppm1      8.777 ppm2      1.177 CV     1
 OR {  186}
   (( segid A    and resid 51   and name HN  ))
   (  segid A    and resid 51   and name HG2%)
 ASSI {  187}
   (( segid A    and resid 103  and name HN  ))
   (  segid A    and resid 51   and name HG2%)
      2.800     1.000     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.36005E-02 ppm1      8.079 ppm2      1.178 CV     1
 OR {  187}
   (( segid B    and resid 103  and name HN  ))
   (  segid B    and resid 51   and name HG2%)
 ASSI {  188}
   (( segid A    and resid 104  and name HN  ))
   (  segid A    and resid 51   and name HG2%)
      2.800     1.000     1.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.12975E-02 ppm1      8.435 ppm2      1.178 CV     1
 OR {  188}
   (( segid B    and resid 104  and name HN  ))
   (  segid B    and resid 51   and name HG2%)
 ASSI {  189}
   (( segid A    and resid 102  and name HN  ))
   (  segid A    and resid 51   and name HG2%)
      3.900     1.900     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.41587E-03 ppm1      8.524 ppm2      1.184 CV     1
 OR {  189}
   (( segid B    and resid 102  and name HN  ))
   (  segid B    and resid 51   and name HG2%)
 ASSI {  193}
   (( segid A    and resid 39   and name HN  ))
   (  segid A    and resid 38   and name HG1%)
      3.300     1.400     1.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.13133E-02 ppm1      8.797 ppm2      1.206 CV     1
 OR {  193}
   (( segid B    and resid 39   and name HN  ))
   (  segid B    and resid 38   and name HG1%)
 ASSI {  195}
   (( segid B    and resid 38   and name HN  ))
   (  segid B    and resid 38   and name HG1%)
      3.000     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.51121E-02 ppm1      8.446 ppm2      1.209 CV     1
 OR {  195}
   (( segid A    and resid 38   and name HN  ))
   (  segid A    and resid 38   and name HG1%)
 ASSI {  198}
   (( segid A    and resid 40   and name HN  ))
   (  segid A    and resid 40   and name HG2%)
      3.300     1.300     1.300 peak   198 spectrum    1 weight  0.10000E+01 volume  0.16227E-02 ppm1      8.085 ppm2      1.260 CV     1
 OR {  198}
   (( segid B    and resid 40   and name HN  ))
   (  segid B    and resid 40   and name HG2%)
 ASSI {  199}
   (( segid B    and resid 30   and name HN  ))
   (( segid B    and resid 29   and name HG  ))
      3.700     1.700     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.87186E-03 ppm1      9.317 ppm2      1.263 CV     1
 OR {  199}
   (( segid A    and resid 30   and name HN  ))
   (( segid A    and resid 29   and name HG  ))
 ASSI {  201}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 29   and name HG  ))
      2.600     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.30978E-02 ppm1      7.131 ppm2      1.268 CV     1
 OR {  201}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 29   and name HG  ))
 ASSI {  203}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 96   and name HG12))
      2.400     0.700     0.700 peak   203 spectrum    1 weight  0.10000E+01 volume  0.48365E-02 ppm1      7.866 ppm2      1.269 CV     1
 OR {  203}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 96   and name HG12))
 ASSI {  204}
   (( segid B    and resid 86   and name HN  ))
   (  segid B    and resid 25   and name HB% )
      3.100     1.200     1.200 peak   204 spectrum    1 weight  0.10000E+01 volume  0.63626E-03 ppm1      9.309 ppm2      1.272 CV     1
 OR {  204}
   (( segid A    and resid 86   and name HN  ))
   (  segid A    and resid 25   and name HB% )
 ASSI {  206}
   (( segid A    and resid 17   and name HN  ))
   (( segid A    and resid 16   and name HB1 ))
      2.200     0.600     0.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.27676E-02 ppm1      9.112 ppm2      1.274 CV     1
 OR {  206}
   (( segid B    and resid 17   and name HN  ))
   (( segid B    and resid 16   and name HB1 ))
 ASSI {  207}
   (( segid B    and resid 85   and name HN  ))
   (  segid B    and resid 25   and name HB% )
      2.900     2.900     3.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.98493E-03 ppm1      8.308 ppm2      1.276 CV     1
 OR {  207}
   (( segid A    and resid 85   and name HN  ))
   (  segid A    and resid 25   and name HB% )
 ASSI {  208}
   (( segid B    and resid 13   and name HN  ))
   (  segid B    and resid 12   and name HG2%)
      4.100     2.100     1.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.78277E-03 ppm1      8.429 ppm2      1.282 CV     1
 OR {  208}
   (( segid A    and resid 13   and name HN  ))
   (  segid A    and resid 12   and name HG2%)
 ASSI {  209}
   (( segid B    and resid 26   and name HN  ))
   (  segid B    and resid 25   and name HB% )
      2.900     1.000     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.67150E-02 ppm1      8.399 ppm2      1.283 CV     1
 OR {  209}
   (( segid A    and resid 26   and name HN  ))
   (  segid A    and resid 25   and name HB% )
 ASSI {  210}
   (( segid A    and resid 12   and name HN  ))
   (  segid A    and resid 12   and name HG2%)
      2.500     0.800     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.71278E-02 ppm1      8.164 ppm2      1.283 CV     1
 OR {  210}
   (( segid B    and resid 12   and name HN  ))
   (  segid B    and resid 12   and name HG2%)
 ASSI {  211}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 16   and name HB1 ))
      4.300     2.300     1.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11665E-02 ppm1      8.338 ppm2      1.284 CV     1
 OR {  211}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 16   and name HB1 ))
 ASSI {  212}
   (( segid B    and resid 60   and name HN  ))
   (  segid B    and resid 25   and name HB% )
      3.800     1.800     1.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.60910E-03 ppm1      7.763 ppm2      1.284 CV     1
 OR {  212}
   (( segid A    and resid 60   and name HN  ))
   (  segid A    and resid 25   and name HB% )
 ASSI {  213}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 16   and name HB1 ))
      2.900     1.100     1.100 peak   213 spectrum    1 weight  0.10000E+01 volume  0.54133E-02 ppm1      8.099 ppm2      1.285 CV     1
 OR {  213}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 16   and name HB1 ))
 ASSI {  214}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 98   and name HG1 ))
      3.100     1.200     1.200 peak   214 spectrum    1 weight  0.10000E+01 volume  0.35686E-02 ppm1      7.370 ppm2      1.287 CV     1
 OR {  214}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 98   and name HG1 ))
 ASSI {  215}
   (( segid A    and resid 11   and name HN  ))
   (  segid A    and resid 10   and name HG2%)
      3.300     1.400     1.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.19293E-02 ppm1      8.308 ppm2      1.287 CV     1
 OR {  215}
   (( segid B    and resid 11   and name HN  ))
   (( segid B    and resid 10   and name HG22))
 OR {  215}
   (( segid B    and resid 11   and name HN  ))
   (( segid B    and resid 10   and name HG21))
 ASSI {  216}
   (( segid B    and resid 25   and name HN  ))
   (  segid B    and resid 25   and name HB% )
      2.400     0.700     0.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.79187E-02 ppm1      8.442 ppm2      1.288 CV     1
 OR {  216}
   (( segid A    and resid 25   and name HN  ))
   (  segid A    and resid 25   and name HB% )
 ASSI {  217}
   (( segid A    and resid 67   and name HN  ))
   (( segid A    and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.45280E-03 ppm1      8.576 ppm2      1.289 CV     1
 OR {  217}
   (( segid B    and resid 67   and name HN  ))
   (( segid B    and resid 16   and name HB1 ))
 ASSI {  218}
   (( segid A    and resid 10   and name HN  ))
   (  segid A    and resid 10   and name HG2%)
      2.200     0.600     0.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.15401E-01 ppm1      8.314 ppm2      1.291 CV     1
 OR {  218}
   (( segid B    and resid 10   and name HN  ))
   (( segid B    and resid 10   and name HG21))
 OR {  218}
   (( segid B    and resid 10   and name HN  ))
   (( segid B    and resid 10   and name HG23))
 ASSI {  223}
   (( segid A    and resid 114  and name HN  ))
   (  segid A    and resid 113  and name HB% )
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.47799E-02 ppm1      7.791 ppm2      1.316 CV     1
 OR {  223}
   (( segid B    and resid 114  and name HN  ))
   (  segid B    and resid 113  and name HB% )
 ASSI {  226}
   (( segid B    and resid 113  and name HN  ))
   (  segid B    and resid 113  and name HB% )
      2.600     0.900     0.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.49804E-02 ppm1      8.158 ppm2      1.318 CV     1
 OR {  226}
   (( segid A    and resid 113  and name HN  ))
   (  segid A    and resid 113  and name HB% )
 ASSI {  228}
   (( segid B    and resid 85   and name HN  ))
   (  segid B    and resid 501  and name HM8%)
      3.300     1.400     1.400 peak   228 spectrum    1 weight  0.10000E+01 volume  0.16252E-02 ppm1      8.307 ppm2      1.322 CV     1
 OR {  228}
   (( segid A    and resid 85   and name HN  ))
   (  segid A    and resid 501  and name HM8%)
 ASSI {  231}
   (( segid A    and resid 84   and name HE  ))
   (  segid A    and resid 501  and name HM8%)
      3.800     1.800     1.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.46901E-03 ppm1      9.088 ppm2      1.337 CV     1
 OR {  231}
   (( segid B    and resid 84   and name HE  ))
   (  segid B    and resid 501  and name HM8%)
 ASSI {  232}
   (( segid B    and resid 80   and name HE21))
   (  segid B    and resid 76   and name HE% )
      2.900     1.100     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.24554E-02 ppm1      6.649 ppm2      1.359 CV     1
 OR {  232}
   (( segid A    and resid 80   and name HE21))
   (  segid A    and resid 76   and name HE% )
 ASSI {  233}
   (( segid A    and resid 80   and name HE22))
   (  segid A    and resid 76   and name HE% )
      3.300     1.400     1.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      6.844 ppm2      1.362 CV     1
 OR {  233}
   (( segid B    and resid 80   and name HE22))
   (  segid B    and resid 76   and name HE% )
 ASSI {  236}
   (( segid A    and resid 122  and name HN  ))
   (  segid A    and resid 121  and name HB% )
      2.700     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.79265E-02 ppm1      8.329 ppm2      1.379 CV     1
 OR {  236}
   (( segid B    and resid 122  and name HN  ))
   (  segid B    and resid 121  and name HB% )
 ASSI {  237}
   (( segid B    and resid 121  and name HN  ))
   (  segid B    and resid 121  and name HB% )
      2.100     0.500     0.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.21489E-01 ppm1      8.060 ppm2      1.379 CV     1
 OR {  237}
   (( segid A    and resid 121  and name HN  ))
   (  segid A    and resid 121  and name HB% )
 ASSI {  240}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 98   and name HG2 ))
      2.900     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.49160E-02 ppm1      7.370 ppm2      1.417 CV     1
 OR {  240}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 98   and name HG2 ))
 ASSI {  241}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 100  and name HB1 ))
      3.500     1.500     1.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.10937E-02 ppm1      9.600 ppm2      1.419 CV     1
 OR {  241}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 100  and name HB1 ))
 ASSI {  245}
   (( segid A    and resid 94   and name HN  ))
   (  segid A    and resid 92   and name HB% )
      3.200     1.300     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.51650E-03 ppm1      8.710 ppm2      1.424 CV     1
 OR {  245}
   (( segid B    and resid 94   and name HN  ))
   (  segid B    and resid 92   and name HB% )
 ASSI {  246}
   (( segid B    and resid 99   and name HN  ))
   (( segid B    and resid 98   and name HG2 ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.64798E-02 ppm1      8.509 ppm2      1.424 CV     1
 OR {  246}
   (( segid A    and resid 99   and name HN  ))
   (( segid A    and resid 98   and name HG2 ))
 ASSI {  247}
   (( segid B    and resid 93   and name HN  ))
   (  segid B    and resid 92   and name HB% )
      2.600     0.800     0.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.14669E-01 ppm1      8.443 ppm2      1.427 CV     1
 OR {  247}
   (( segid A    and resid 93   and name HN  ))
   (  segid A    and resid 92   and name HB% )
 ASSI {  248}
   (( segid B    and resid 92   and name HN  ))
   (  segid B    and resid 92   and name HB% )
      2.500     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.65439E-02 ppm1      7.734 ppm2      1.430 CV     1
 OR {  248}
   (( segid A    and resid 92   and name HN  ))
   (  segid A    and resid 92   and name HB% )
 ASSI {  250}
   (( segid A    and resid 102  and name HN  ))
   (  segid A    and resid 102  and name HB% )
      2.500     0.800     0.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.88370E-02 ppm1      8.525 ppm2      1.434 CV     1
 OR {  250}
   (( segid B    and resid 102  and name HN  ))
   (  segid B    and resid 102  and name HB% )
 ASSI {  251}
   (( segid B    and resid 103  and name HN  ))
   (  segid B    and resid 102  and name HB% )
      2.800     1.000     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.40066E-02 ppm1      8.079 ppm2      1.434 CV     1
 OR {  251}
   (( segid A    and resid 103  and name HN  ))
   (  segid A    and resid 102  and name HB% )
 ASSI {  252}
   (( segid A    and resid 7    and name HN  ))
   (  segid A    and resid 7    and name HB% )
      1.900     0.400     0.400 peak   252 spectrum    1 weight  0.10000E+01 volume  0.45270E-01 ppm1      8.125 ppm2      1.436 CV     1
 OR {  252}
   (( segid B    and resid 7    and name HN  ))
   (( segid B    and resid 7    and name HB2 ))
 OR {  252}
   (( segid B    and resid 7    and name HN  ))
   (( segid B    and resid 7    and name HB3 ))
 ASSI {  253}
   (( segid A    and resid 8    and name HN  ))
   (  segid A    and resid 7    and name HB% )
      2.300     0.600     0.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.15351E-01 ppm1      8.267 ppm2      1.436 CV     1
 OR {  253}
   (( segid B    and resid 8    and name HN  ))
   (( segid B    and resid 7    and name HB3 ))
 OR {  253}
   (( segid B    and resid 8    and name HN  ))
   (( segid B    and resid 7    and name HB2 ))
 ASSI {  256}
   (( segid B    and resid 29   and name HN  ))
   (  segid B    and resid 30   and name HG2%)
      3.900     1.900     1.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.11398E-02 ppm1      7.129 ppm2      1.457 CV     1
 OR {  256}
   (( segid A    and resid 29   and name HN  ))
   (  segid A    and resid 30   and name HG2%)
 ASSI {  257}
   (( segid B    and resid 32   and name HN  ))
   (  segid B    and resid 30   and name HG2%)
      2.600     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.19453E-02 ppm1      8.204 ppm2      1.459 CV     1
 OR {  257}
   (( segid A    and resid 32   and name HN  ))
   (  segid A    and resid 30   and name HG2%)
 ASSI {  260}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 90   and name HG12))
      2.500     0.800     0.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.41763E-02 ppm1      8.729 ppm2      1.468 CV     1
 OR {  260}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 90   and name HG12))
 ASSI {  261}
   (( segid B    and resid 80   and name HE21))
   (( segid B    and resid 90   and name HG12))
      3.900     1.900     1.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.11561E-02 ppm1      6.650 ppm2      1.471 CV     1
 OR {  261}
   (( segid A    and resid 80   and name HE21))
   (( segid A    and resid 90   and name HG12))
 ASSI {  262}
   (( segid A    and resid 16   and name HN  ))
   (  segid A    and resid 97   and name HB% )
      4.100     2.100     1.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.91242E-03 ppm1      8.089 ppm2      1.474 CV     1
 OR {  262}
   (( segid B    and resid 16   and name HN  ))
   (  segid B    and resid 97   and name HB% )
 ASSI {  263}
   (( segid B    and resid 100  and name HN  ))
   (( segid B    and resid 100  and name HG2 ))
      3.900     1.900     1.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.62280E-03 ppm1     11.654 ppm2      1.476 CV     1
 OR {  263}
   (( segid A    and resid 100  and name HN  ))
   (( segid A    and resid 100  and name HG2 ))
 ASSI {  265}
   (( segid A    and resid 98   and name HN  ))
   (  segid A    and resid 97   and name HB% )
      2.300     0.700     0.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.14281E-01 ppm1      7.369 ppm2      1.479 CV     1
 OR {  265}
   (( segid B    and resid 98   and name HN  ))
   (  segid B    and resid 97   and name HB% )
 ASSI {  266}
   (( segid B    and resid 78   and name HN  ))
   (( segid B    and resid 79   and name HB  ))
      4.100     2.100     1.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      7.156 ppm2      1.483 CV     1
 OR {  266}
   (( segid A    and resid 78   and name HN  ))
   (( segid A    and resid 79   and name HB  ))
 ASSI {  267}
   (( segid B    and resid 80   and name HN  ))
   (( segid B    and resid 79   and name HB  ))
      2.800     1.000     1.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.20921E-02 ppm1      8.444 ppm2      1.485 CV     1
 OR {  267}
   (( segid A    and resid 80   and name HN  ))
   (( segid A    and resid 79   and name HB  ))
 ASSI {  268}
   (( segid B    and resid 96   and name HN  ))
   (  segid B    and resid 97   and name HB% )
      4.200     2.200     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.65086E-03 ppm1      7.865 ppm2      1.488 CV     1
 OR {  268}
   (( segid A    and resid 96   and name HN  ))
   (  segid A    and resid 97   and name HB% )
 ASSI {  270}
   (( segid B    and resid 79   and name HN  ))
   (( segid B    and resid 79   and name HB  ))
      3.100     1.200     1.200 peak   270 spectrum    1 weight  0.10000E+01 volume  0.17309E-02 ppm1      8.567 ppm2      1.491 CV     1
 OR {  270}
   (( segid A    and resid 79   and name HN  ))
   (( segid A    and resid 79   and name HB  ))
 ASSI {  271}
   (( segid B    and resid 77   and name HN  ))
   (  segid B    and resid 73   and name HB% )
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      7.878 ppm2      1.492 CV     1
 OR {  271}
   (( segid A    and resid 77   and name HN  ))
   (  segid A    and resid 73   and name HB% )
 ASSI {  273}
   (( segid B    and resid 72   and name HN  ))
   (  segid B    and resid 73   and name HB% )
      3.500     1.500     1.500 peak   273 spectrum    1 weight  0.10000E+01 volume  0.30285E-02 ppm1      8.346 ppm2      1.493 CV     1
 OR {  273}
   (( segid A    and resid 72   and name HN  ))
   (  segid A    and resid 73   and name HB% )
 ASSI {  274}
   (( segid B    and resid 76   and name HN  ))
   (  segid B    and resid 73   and name HB% )
      2.900     1.100     1.100 peak   274 spectrum    1 weight  0.10000E+01 volume  0.94963E-03 ppm1      8.497 ppm2      1.493 CV     1
 OR {  274}
   (( segid A    and resid 76   and name HN  ))
   (  segid A    and resid 73   and name HB% )
 ASSI {  275}
   (( segid B    and resid 73   and name HN  ))
   (  segid B    and resid 73   and name HB% )
      2.000     0.500     0.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.22784E-01 ppm1      8.260 ppm2      1.493 CV     1
 OR {  275}
   (( segid A    and resid 73   and name HN  ))
   (  segid A    and resid 73   and name HB% )
 ASSI {  276}
   (( segid B    and resid 71   and name HN  ))
   (  segid B    and resid 73   and name HB% )
      3.800     1.800     1.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.11435E-02 ppm1      7.415 ppm2      1.497 CV     1
 OR {  276}
   (( segid A    and resid 71   and name HN  ))
   (  segid A    and resid 73   and name HB% )
 ASSI {  278}
   (( segid B    and resid 54   and name HN  ))
   (( segid B    and resid 54   and name HB1 ))
      3.700     1.700     1.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.58189E-03 ppm1      7.783 ppm2      1.518 CV     1
 OR {  278}
   (( segid A    and resid 54   and name HN  ))
   (( segid A    and resid 54   and name HB1 ))
 OR {  278}
   (( segid B    and resid 54   and name HN  ))
   (( segid B    and resid 54   and name HB2 ))
 OR {  278}
   (( segid A    and resid 54   and name HN  ))
   (( segid A    and resid 54   and name HB2 ))
 ASSI {  279}
   (( segid A    and resid 55   and name HN  ))
   (( segid A    and resid 54   and name HB2 ))
      4.200     2.200     1.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.49647E-03 ppm1     10.049 ppm2      1.523 CV     1
 OR {  279}
   (( segid B    and resid 55   and name HN  ))
   (( segid B    and resid 54   and name HB2 ))
 OR {  279}
   (( segid B    and resid 55   and name HN  ))
   (( segid B    and resid 54   and name HB1 ))
 OR {  279}
   (( segid A    and resid 55   and name HN  ))
   (( segid A    and resid 54   and name HB1 ))
 ASSI {  280}
   (( segid B    and resid 29   and name HN  ))
   (  segid B    and resid 26   and name HB% )
      2.800     1.000     1.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.42238E-02 ppm1      7.129 ppm2      1.531 CV     1
 OR {  280}
   (( segid A    and resid 29   and name HN  ))
   (  segid A    and resid 26   and name HB% )
 ASSI {  282}
   (( segid A    and resid 28   and name HN  ))
   (  segid A    and resid 26   and name HB% )
      2.400     0.700     0.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.77302E-02 ppm1      8.317 ppm2      1.532 CV     1
 OR {  282}
   (( segid B    and resid 28   and name HN  ))
   (  segid B    and resid 26   and name HB% )
 ASSI {  283}
   (( segid A    and resid 85   and name HN  ))
   (  segid A    and resid 26   and name HB% )
      3.100     1.200     1.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.22703E-02 ppm1      8.304 ppm2      1.533 CV     1
 OR {  283}
   (( segid B    and resid 85   and name HN  ))
   (  segid B    and resid 26   and name HB% )
 ASSI {  284}
   (( segid B    and resid 26   and name HN  ))
   (  segid B    and resid 26   and name HB% )
      2.100     0.600     0.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.12343E-01 ppm1      8.399 ppm2      1.534 CV     1
 OR {  284}
   (( segid A    and resid 26   and name HN  ))
   (  segid A    and resid 26   and name HB% )
 ASSI {  285}
   (( segid A    and resid 120  and name HN  ))
   (( segid A    and resid 118  and name HB2 ))
      2.200     2.200     3.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.17174E-01 ppm1      7.720 ppm2      1.543 CV     1
 OR {  285}
   (( segid B    and resid 120  and name HN  ))
   (( segid B    and resid 118  and name HB2 ))
 ASSI {  286}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 16   and name HG  ))
      4.100     2.100     1.900 peak   286 spectrum    1 weight  0.10000E+01 volume  0.14081E-02 ppm1      8.341 ppm2      1.549 CV     1
 OR {  286}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 16   and name HG  ))
 ASSI {  287}
   (( segid A    and resid 121  and name HN  ))
   (( segid A    and resid 118  and name HB2 ))
      2.100     2.100     3.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.68053E-02 ppm1      8.059 ppm2      1.550 CV     1
 OR {  287}
   (( segid B    and resid 121  and name HN  ))
   (( segid B    and resid 118  and name HB2 ))
 OR {  287}
   (( segid A    and resid 121  and name HN  ))
   (( segid A    and resid 118  and name HB1 ))
 ASSI {  288}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 16   and name HG  ))
      3.000     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.72941E-02 ppm1      8.093 ppm2      1.551 CV     1
 OR {  288}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 16   and name HG  ))
 ASSI {  290}
   (( segid A    and resid 17   and name HN  ))
   (( segid A    and resid 16   and name HG  ))
      4.100     2.100     1.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.17844E-02 ppm1      9.107 ppm2      1.557 CV     1
 OR {  290}
   (( segid B    and resid 17   and name HN  ))
   (( segid B    and resid 16   and name HG  ))
 ASSI {  291}
   (( segid A    and resid 42   and name HN  ))
   (  segid A    and resid 43   and name HB% )
      4.600     2.700     1.400 peak   291 spectrum    1 weight  0.10000E+01 volume  0.57958E-03 ppm1      8.743 ppm2      1.564 CV     1
 OR {  291}
   (( segid B    and resid 42   and name HN  ))
   (  segid B    and resid 43   and name HB% )
 ASSI {  293}
   (( segid B    and resid 47   and name HN  ))
   (  segid B    and resid 43   and name HB% )
      2.600     2.600     3.400 peak   293 spectrum    1 weight  0.10000E+01 volume  0.20877E-02 ppm1      7.173 ppm2      1.571 CV     1
 OR {  293}
   (( segid A    and resid 47   and name HN  ))
   (  segid A    and resid 43   and name HB% )
 ASSI {  299}
   (( segid B    and resid 119  and name HN  ))
   (( segid B    and resid 118  and name HG  ))
      3.400     1.400     1.400 peak   299 spectrum    1 weight  0.10000E+01 volume  0.18817E-02 ppm1      7.861 ppm2      1.591 CV     1
 OR {  299}
   (( segid A    and resid 119  and name HN  ))
   (( segid A    and resid 118  and name HG  ))
 ASSI {  300}
   (( segid B    and resid 118  and name HN  ))
   (( segid B    and resid 118  and name HG  ))
      2.200     0.600     0.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.86306E-02 ppm1      7.525 ppm2      1.597 CV     1
 OR {  300}
   (( segid A    and resid 118  and name HN  ))
   (( segid A    and resid 118  and name HG  ))
 ASSI {  301}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 91   and name HB2 ))
      2.900     1.000     1.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.34386E-02 ppm1      7.733 ppm2      1.599 CV     1
 OR {  301}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 91   and name HB2 ))
 OR {  301}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 91   and name HB1 ))
 OR {  301}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 91   and name HB1 ))
 ASSI {  302}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 118  and name HG  ))
      3.800     1.800     1.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.96238E-03 ppm1      8.018 ppm2      1.605 CV     1
 OR {  302}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 118  and name HG  ))
 ASSI {  306}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 118  and name HG  ))
      3.400     1.400     1.400 peak   306 spectrum    1 weight  0.10000E+01 volume  0.14869E-02 ppm1      8.054 ppm2      1.615 CV     1
 OR {  306}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 118  and name HG  ))
 ASSI {  307}
   (( segid A    and resid 35   and name HN  ))
   (( segid A    and resid 35   and name HB1 ))
      3.900     1.900     1.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.10242E-02 ppm1      8.610 ppm2      1.617 CV     1
 OR {  307}
   (( segid B    and resid 35   and name HN  ))
   (( segid B    and resid 35   and name HB1 ))
 ASSI {  310}
   (( segid A    and resid 66   and name HN  ))
   (( segid A    and resid 65   and name HB1 ))
      5.000     3.100     1.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.38759E-03 ppm1      8.905 ppm2      1.620 CV     1
 OR {  310}
   (( segid B    and resid 66   and name HN  ))
   (( segid B    and resid 65   and name HB1 ))
 ASSI {  311}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 22   and name HB1 ))
      3.700     1.700     1.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.77248E-03 ppm1      8.696 ppm2      1.622 CV     1
 OR {  311}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 22   and name HB1 ))
 ASSI {  312}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.13610E-02 ppm1      8.581 ppm2      1.622 CV     1
 OR {  312}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 35   and name HB1 ))
 ASSI {  313}
   (( segid A    and resid 65   and name HN  ))
   (( segid A    and resid 65   and name HB1 ))
      4.000     2.000     2.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.40999E-03 ppm1      9.576 ppm2      1.623 CV     1
 OR {  313}
   (( segid B    and resid 65   and name HN  ))
   (( segid B    and resid 65   and name HB1 ))
 ASSI {  314}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 65   and name HB1 ))
      4.500     2.600     1.500 peak   314 spectrum    1 weight  0.10000E+01 volume  0.41272E-03 ppm1      9.414 ppm2      1.625 CV     1
 OR {  314}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 65   and name HB1 ))
 ASSI {  315}
   (( segid B    and resid 46   and name HN  ))
   (  segid B    and resid 46   and name HB% )
      2.200     0.600     0.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.13578E-01 ppm1      7.284 ppm2      1.626 CV     1
 OR {  315}
   (( segid A    and resid 46   and name HN  ))
   (  segid A    and resid 46   and name HB% )
 ASSI {  316}
   (( segid B    and resid 47   and name HN  ))
   (  segid B    and resid 46   and name HB% )
      2.200     0.600     0.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.14278E-01 ppm1      7.173 ppm2      1.627 CV     1
 OR {  316}
   (( segid A    and resid 47   and name HN  ))
   (  segid A    and resid 46   and name HB% )
 ASSI {  317}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 29   and name HB1 ))
      2.700     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.60347E-02 ppm1      7.129 ppm2      1.630 CV     1
 OR {  317}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 29   and name HB1 ))
 ASSI {  318}
   (( segid B    and resid 45   and name HN  ))
   (  segid B    and resid 46   and name HB% )
      4.000     2.000     2.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      9.086 ppm2      1.631 CV     1
 OR {  318}
   (( segid A    and resid 45   and name HN  ))
   (  segid A    and resid 46   and name HB% )
 ASSI {  319}
   (( segid A    and resid 55   and name HN  ))
   (( segid A    and resid 54   and name HG  ))
      4.000     2.000     2.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.81909E-03 ppm1     10.053 ppm2      1.631 CV     1
 OR {  319}
   (( segid B    and resid 55   and name HN  ))
   (( segid B    and resid 54   and name HG  ))
 ASSI {  323}
   (( segid B    and resid 73   and name HN  ))
   (  segid B    and resid 70   and name HB% )
      3.400     1.400     1.400 peak   323 spectrum    1 weight  0.10000E+01 volume  0.23987E-02 ppm1      8.259 ppm2      1.635 CV     1
 OR {  323}
   (( segid A    and resid 73   and name HN  ))
   (  segid A    and resid 70   and name HB% )
 ASSI {  324}
   (( segid A    and resid 71   and name HN  ))
   (  segid A    and resid 70   and name HB% )
      2.200     0.600     0.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.10116E-01 ppm1      7.412 ppm2      1.637 CV     1
 OR {  324}
   (( segid B    and resid 71   and name HN  ))
   (  segid B    and resid 70   and name HB% )
 ASSI {  325}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 50   and name HG  ))
      3.700     1.700     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.79402E-03 ppm1      8.773 ppm2      1.639 CV     1
 OR {  325}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 50   and name HG  ))
 ASSI {  326}
   (( segid A    and resid 70   and name HN  ))
   (  segid A    and resid 70   and name HB% )
      3.700     1.700     1.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.73043E-03 ppm1     10.296 ppm2      1.640 CV     1
 OR {  326}
   (( segid B    and resid 70   and name HN  ))
   (  segid B    and resid 70   and name HB% )
 ASSI {  327}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 50   and name HG  ))
      2.900     1.100     1.100 peak   327 spectrum    1 weight  0.10000E+01 volume  0.26540E-02 ppm1      8.998 ppm2      1.645 CV     1
 OR {  327}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 50   and name HG  ))
 ASSI {  329}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 32   and name HG2 ))
      3.400     1.400     1.400 peak   329 spectrum    1 weight  0.10000E+01 volume  0.21011E-02 ppm1      7.748 ppm2      1.655 CV     1
 OR {  329}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 32   and name HG1 ))
 OR {  329}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 32   and name HG2 ))
 OR {  329}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 32   and name HG1 ))
 ASSI {  331}
   (( segid A    and resid 54   and name HN  ))
   (( segid A    and resid 54   and name HG  ))
      3.500     1.500     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.91607E-03 ppm1      7.779 ppm2      1.660 CV     1
 OR {  331}
   (( segid B    and resid 54   and name HN  ))
   (( segid B    and resid 54   and name HG  ))
 ASSI {  332}
   (( segid B    and resid 108  and name HN  ))
   (( segid B    and resid 54   and name HG  ))
      3.000     3.000     3.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.88161E-03 ppm1      7.766 ppm2      1.663 CV     1
 OR {  332}
   (( segid A    and resid 108  and name HN  ))
   (( segid A    and resid 54   and name HG  ))
 ASSI {  333}
   (( segid B    and resid 6    and name HN  ))
   (( segid B    and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.70632E-02 ppm1      8.158 ppm2      1.664 CV     1
 OR {  333}
   (( segid A    and resid 6    and name HN  ))
   (( segid A    and resid 5    and name HB1 ))
 OR {  333}
   (( segid B    and resid 6    and name HN  ))
   (( segid B    and resid 5    and name HB1 ))
 OR {  333}
   (( segid A    and resid 6    and name HN  ))
   (( segid A    and resid 5    and name HB2 ))
 ASSI {  336}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 32   and name HG2 ))
      2.900     1.100     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.95514E-03 ppm1      8.582 ppm2      1.670 CV     1
 OR {  336}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 32   and name HG1 ))
 OR {  336}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 32   and name HG2 ))
 OR {  336}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 32   and name HG1 ))
 ASSI {  337}
   (( segid B    and resid 125  and name HN  ))
   (( segid B    and resid 124  and name HG2 ))
      3.100     1.200     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.17576E-02 ppm1      7.991 ppm2      1.671 CV     1
 OR {  337}
   (( segid A    and resid 125  and name HN  ))
   (( segid A    and resid 124  and name HG2 ))
 ASSI {  338}
   (( segid A    and resid 32   and name HN  ))
   (( segid A    and resid 31   and name HG  ))
      3.300     1.400     1.400 peak   338 spectrum    1 weight  0.10000E+01 volume  0.14090E-02 ppm1      8.205 ppm2      1.672 CV     1
 OR {  338}
   (( segid B    and resid 32   and name HN  ))
   (( segid B    and resid 31   and name HG  ))
 ASSI {  339}
   (( segid A    and resid 34   and name HN  ))
   (( segid A    and resid 31   and name HG  ))
      2.600     2.600     3.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.17058E-02 ppm1      7.665 ppm2      1.685 CV     1
 OR {  339}
   (( segid B    and resid 34   and name HN  ))
   (( segid B    and resid 31   and name HG  ))
 ASSI {  340}
   (( segid B    and resid 124  and name HN  ))
   (( segid B    and resid 124  and name HG1 ))
      3.400     1.500     1.500 peak   340 spectrum    1 weight  0.10000E+01 volume  0.14033E-02 ppm1      8.341 ppm2      1.687 CV     1
 OR {  340}
   (( segid A    and resid 124  and name HN  ))
   (( segid A    and resid 124  and name HG1 ))
 OR {  340}
   (( segid B    and resid 124  and name HN  ))
   (( segid B    and resid 124  and name HG2 ))
 OR {  340}
   (( segid A    and resid 124  and name HN  ))
   (( segid A    and resid 124  and name HG2 ))
 ASSI {  341}
   (( segid A    and resid 120  and name HN  ))
   (( segid A    and resid 120  and name HG  ))
      3.900     1.900     1.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.83805E-03 ppm1      7.724 ppm2      1.689 CV     1
 OR {  341}
   (( segid B    and resid 120  and name HN  ))
   (( segid B    and resid 120  and name HG  ))
 ASSI {  344}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 100  and name HB2 ))
      3.600     1.700     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.72630E-03 ppm1      9.592 ppm2      1.703 CV     1
 OR {  344}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 100  and name HB2 ))
 ASSI {  346}
   (( segid B    and resid 87   and name HD21))
   (( segid B    and resid 24   and name HB1 ))
      3.600     1.700     1.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.76058E-03 ppm1      6.915 ppm2      1.705 CV     1
 OR {  346}
   (( segid A    and resid 87   and name HD21))
   (( segid A    and resid 24   and name HB2 ))
 OR {  346}
   (( segid B    and resid 87   and name HD21))
   (( segid B    and resid 24   and name HB2 ))
 ASSI {  347}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 22   and name HG1 ))
      3.300     1.300     1.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.16064E-02 ppm1      8.695 ppm2      1.706 CV     1
 OR {  347}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 22   and name HG2 ))
 OR {  347}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 22   and name HG2 ))
 OR {  347}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 22   and name HG1 ))
 ASSI {  348}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 98   and name HB1 ))
      2.500     0.800     0.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.69956E-02 ppm1      7.370 ppm2      1.707 CV     1
 OR {  348}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 98   and name HB1 ))
 ASSI {  349}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.19186E-02 ppm1      8.442 ppm2      1.707 CV     1
 OR {  349}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 24   and name HB1 ))
 OR {  349}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 24   and name HB2 ))
 OR {  349}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 24   and name HB1 ))
 ASSI {  350}
   (( segid A    and resid 87   and name HD22))
   (( segid A    and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.75992E-03 ppm1      7.371 ppm2      1.707 CV     1
 OR {  350}
   (( segid A    and resid 87   and name HD22))
   (( segid A    and resid 24   and name HB1 ))
 OR {  350}
   (( segid B    and resid 87   and name HD22))
   (( segid B    and resid 24   and name HB2 ))
 ASSI {  351}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 22   and name HG2 ))
      3.800     1.800     1.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.12989E-02 ppm1      9.671 ppm2      1.709 CV     1
 OR {  351}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 22   and name HG1 ))
 OR {  351}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 22   and name HG1 ))
 OR {  351}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 22   and name HG2 ))
 ASSI {  353}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 24   and name HB2 ))
      3.500     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.12045E-02 ppm1      9.306 ppm2      1.713 CV     1
 OR {  353}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 24   and name HB1 ))
 OR {  353}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 24   and name HB1 ))
 OR {  353}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 24   and name HB2 ))
 ASSI {  354}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 22   and name HG2 ))
      3.300     1.300     1.300 peak   354 spectrum    1 weight  0.10000E+01 volume  0.18739E-02 ppm1      7.269 ppm2      1.715 CV     1
 OR {  354}
   (( segid A    and resid 22   and name HE  ))
   (( segid A    and resid 22   and name HG1 ))
 OR {  354}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 22   and name HG1 ))
 OR {  354}
   (( segid A    and resid 22   and name HE  ))
   (( segid A    and resid 22   and name HG2 ))
 ASSI {  355}
   (( segid B    and resid 24   and name HN  ))
   (( segid B    and resid 24   and name HB1 ))
      2.600     0.900     0.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.34996E-02 ppm1      8.840 ppm2      1.717 CV     1
 OR {  355}
   (( segid A    and resid 24   and name HN  ))
   (( segid A    and resid 24   and name HB2 ))
 OR {  355}
   (( segid A    and resid 24   and name HN  ))
   (( segid A    and resid 24   and name HB1 ))
 OR {  355}
   (( segid B    and resid 24   and name HN  ))
   (( segid B    and resid 24   and name HB2 ))
 ASSI {  359}
   (( segid A    and resid 82   and name HN  ))
   (( segid A    and resid 81   and name HG1 ))
      3.500     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.12673E-02 ppm1      7.331 ppm2      1.745 CV     1
 OR {  359}
   (( segid B    and resid 82   and name HN  ))
   (( segid B    and resid 81   and name HG2 ))
 OR {  359}
   (( segid A    and resid 82   and name HN  ))
   (( segid A    and resid 81   and name HG2 ))
 OR {  359}
   (( segid B    and resid 82   and name HN  ))
   (( segid B    and resid 81   and name HG1 ))
 ASSI {  360}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 65   and name HB2 ))
      4.000     2.000     2.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.55003E-03 ppm1      9.404 ppm2      1.745 CV     1
 OR {  360}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 65   and name HB2 ))
 ASSI {  361}
   (( segid A    and resid 83   and name HN  ))
   (( segid A    and resid 88   and name HB  ))
      3.100     3.100     2.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.21170E-02 ppm1      8.701 ppm2      1.745 CV     1
 OR {  361}
   (( segid B    and resid 83   and name HN  ))
   (( segid B    and resid 88   and name HB  ))
 ASSI {  362}
   (( segid B    and resid 65   and name HN  ))
   (( segid B    and resid 65   and name HB2 ))
      4.300     2.300     1.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.44678E-03 ppm1      9.583 ppm2      1.746 CV     1
 OR {  362}
   (( segid A    and resid 65   and name HN  ))
   (( segid A    and resid 65   and name HB2 ))
 ASSI {  363}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 81   and name HG1 ))
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.54825E-02 ppm1      7.028 ppm2      1.748 CV     1
 OR {  363}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 81   and name HG2 ))
 OR {  363}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 81   and name HG2 ))
 OR {  363}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 81   and name HG1 ))
 ASSI {  365}
   (( segid A    and resid 71   and name HN  ))
   (  segid A    and resid 71   and name HB% )
      2.000     0.500     0.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.16337E-01 ppm1      7.412 ppm2      1.756 CV     1
 OR {  365}
   (( segid B    and resid 71   and name HN  ))
   (  segid B    and resid 71   and name HB% )
 ASSI {  369}
   (( segid B    and resid 68   and name HN  ))
   (  segid B    and resid 71   and name HB% )
      2.700     0.900     0.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.30788E-02 ppm1      9.455 ppm2      1.760 CV     1
 OR {  369}
   (( segid A    and resid 68   and name HN  ))
   (  segid A    and resid 71   and name HB% )
 ASSI {  370}
   (( segid B    and resid 24   and name HN  ))
   (( segid B    and resid 24   and name HG  ))
      3.600     1.600     1.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.23364E-02 ppm1      8.838 ppm2      1.761 CV     1
 OR {  370}
   (( segid A    and resid 24   and name HN  ))
   (( segid A    and resid 24   and name HG  ))
 ASSI {  372}
   (( segid B    and resid 87   and name HN  ))
   (( segid B    and resid 88   and name HB  ))
      3.600     1.600     1.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.88059E-03 ppm1      8.925 ppm2      1.766 CV     1
 OR {  372}
   (( segid A    and resid 87   and name HN  ))
   (( segid A    and resid 88   and name HB  ))
 ASSI {  373}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 88   and name HB  ))
      2.000     0.500     0.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.18347E-01 ppm1      7.933 ppm2      1.768 CV     1
 OR {  373}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 88   and name HB  ))
 ASSI {  375}
   (( segid A    and resid 80   and name HE21))
   (( segid A    and resid 88   and name HB  ))
      3.700     1.700     1.700 peak   375 spectrum    1 weight  0.10000E+01 volume  0.16086E-02 ppm1      6.647 ppm2      1.768 CV     1
 OR {  375}
   (( segid B    and resid 80   and name HE21))
   (( segid B    and resid 88   and name HB  ))
 ASSI {  377}
   (( segid B    and resid 89   and name HN  ))
   (( segid B    and resid 88   and name HB  ))
      4.100     2.100     1.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.91852E-03 ppm1      9.604 ppm2      1.771 CV     1
 OR {  377}
   (( segid A    and resid 89   and name HN  ))
   (( segid A    and resid 88   and name HB  ))
 ASSI {  378}
   (( segid A    and resid 75   and name HN  ))
   (  segid A    and resid 71   and name HB% )
      3.100     3.100     2.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.67156E-03 ppm1      7.656 ppm2      1.776 CV     1
 OR {  378}
   (( segid B    and resid 75   and name HN  ))
   (  segid B    and resid 71   and name HB% )
 ASSI {  379}
   (( segid A    and resid 80   and name HE22))
   (( segid A    and resid 88   and name HB  ))
      3.700     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.16323E-02 ppm1      6.844 ppm2      1.777 CV     1
 OR {  379}
   (( segid B    and resid 80   and name HE22))
   (( segid B    and resid 88   and name HB  ))
 ASSI {  381}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 98   and name HB2 ))
      2.300     0.700     0.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.60132E-02 ppm1      7.370 ppm2      1.790 CV     1
 OR {  381}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 98   and name HB2 ))
 ASSI {  382}
   (( segid A    and resid 99   and name HN  ))
   (( segid A    and resid 98   and name HB2 ))
      3.200     1.300     1.300 peak   382 spectrum    1 weight  0.10000E+01 volume  0.37935E-02 ppm1      8.510 ppm2      1.790 CV     1
 OR {  382}
   (( segid B    and resid 99   and name HN  ))
   (( segid B    and resid 98   and name HB2 ))
 ASSI {  383}
   (( segid B    and resid 66   and name HN  ))
   (( segid B    and resid 65   and name HG  ))
      4.200     2.200     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.47479E-03 ppm1      8.897 ppm2      1.793 CV     1
 OR {  383}
   (( segid A    and resid 66   and name HN  ))
   (( segid A    and resid 65   and name HG  ))
 ASSI {  385}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.78547E-03 ppm1      8.690 ppm2      1.797 CV     1
 OR {  385}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 22   and name HB2 ))
 ASSI {  386}
   (( segid A    and resid 125  and name HN  ))
   (( segid A    and resid 124  and name HB1 ))
      3.300     1.400     1.400 peak   386 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      7.991 ppm2      1.807 CV     1
 OR {  386}
   (( segid B    and resid 125  and name HN  ))
   (( segid B    and resid 124  and name HB1 ))
 ASSI {  387}
   (( segid B    and resid 124  and name HN  ))
   (( segid B    and resid 124  and name HB1 ))
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.23945E-02 ppm1      8.342 ppm2      1.809 CV     1
 OR {  387}
   (( segid A    and resid 124  and name HN  ))
   (( segid A    and resid 124  and name HB1 ))
 ASSI {  388}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 22   and name HB2 ))
      3.700     1.700     1.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.16424E-02 ppm1      9.672 ppm2      1.818 CV     1
 OR {  388}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 22   and name HB2 ))
 ASSI {  389}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 16   and name HB2 ))
      4.200     2.200     1.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.79115E-03 ppm1      8.336 ppm2      1.818 CV     1
 OR {  389}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 16   and name HB2 ))
 ASSI {  390}
   (( segid A    and resid 38   and name HN  ))
   (( segid A    and resid 37   and name HB  ))
      3.000     1.100     1.100 peak   390 spectrum    1 weight  0.10000E+01 volume  0.23422E-02 ppm1      8.444 ppm2      1.825 CV     1
 OR {  390}
   (( segid B    and resid 38   and name HN  ))
   (( segid B    and resid 37   and name HB  ))
 ASSI {  391}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 16   and name HB2 ))
      2.100     0.500     0.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.84619E-02 ppm1      8.092 ppm2      1.825 CV     1
 OR {  391}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 16   and name HB2 ))
 ASSI {  392}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 37   and name HB  ))
      2.600     0.800     0.800 peak   392 spectrum    1 weight  0.10000E+01 volume  0.40871E-02 ppm1      7.896 ppm2      1.828 CV     1
 OR {  392}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 37   and name HB  ))
 ASSI {  393}
   (( segid A    and resid 17   and name HN  ))
   (( segid A    and resid 16   and name HB2 ))
      3.500     1.500     1.500 peak   393 spectrum    1 weight  0.10000E+01 volume  0.18254E-02 ppm1      9.111 ppm2      1.829 CV     1
 OR {  393}
   (( segid B    and resid 17   and name HN  ))
   (( segid B    and resid 16   and name HB2 ))
 ASSI {  394}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 16   and name HB2 ))
      3.100     1.200     1.200 peak   394 spectrum    1 weight  0.10000E+01 volume  0.11191E-02 ppm1      7.865 ppm2      1.829 CV     1
 OR {  394}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 16   and name HB2 ))
 ASSI {  395}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 22   and name HB2 ))
      3.700     1.700     1.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.59335E-03 ppm1      7.269 ppm2      1.829 CV     1
 OR {  395}
   (( segid A    and resid 22   and name HE  ))
   (( segid A    and resid 22   and name HB2 ))
 ASSI {  396}
   (( segid A    and resid 67   and name HN  ))
   (( segid A    and resid 16   and name HB2 ))
      5.000     3.200     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.44552E-03 ppm1      8.584 ppm2      1.829 CV     1
 OR {  396}
   (( segid B    and resid 67   and name HN  ))
   (( segid B    and resid 16   and name HB2 ))
 ASSI {  398}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 72   and name HB  ))
      3.500     1.600     1.600 peak   398 spectrum    1 weight  0.10000E+01 volume  0.24608E-02 ppm1      7.414 ppm2      1.832 CV     1
 OR {  398}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 72   and name HB  ))
 ASSI {  401}
   (( segid A    and resid 73   and name HN  ))
   (( segid A    and resid 72   and name HB  ))
      2.300     0.600     0.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.80545E-02 ppm1      8.259 ppm2      1.843 CV     1
 OR {  401}
   (( segid B    and resid 73   and name HN  ))
   (( segid B    and resid 72   and name HB  ))
 ASSI {  402}
   (( segid A    and resid 34   and name HN  ))
   (( segid A    and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak   402 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      7.658 ppm2      1.851 CV     1
 OR {  402}
   (( segid B    and resid 34   and name HN  ))
   (( segid B    and resid 34   and name HB2 ))
 ASSI {  408}
   (( segid A    and resid 35   and name HN  ))
   (( segid A    and resid 35   and name HG  ))
      2.900     1.000     1.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.18422E-02 ppm1      8.603 ppm2      1.892 CV     1
 OR {  408}
   (( segid B    and resid 35   and name HN  ))
   (( segid B    and resid 35   and name HG  ))
 ASSI {  410}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 116  and name HB2 ))
      3.100     1.200     1.200 peak   410 spectrum    1 weight  0.10000E+01 volume  0.20061E-02 ppm1      8.019 ppm2      1.897 CV     1
 OR {  410}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 116  and name HB2 ))
 OR {  410}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 116  and name HB1 ))
 OR {  410}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 116  and name HB1 ))
 ASSI {  412}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 90   and name HB  ))
      4.100     2.100     1.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.12001E-02 ppm1      8.695 ppm2      1.902 CV     1
 OR {  412}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 90   and name HB  ))
 ASSI {  413}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 116  and name HB1 ))
      2.500     0.800     0.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.65283E-02 ppm1      8.056 ppm2      1.903 CV     1
 OR {  413}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 116  and name HB1 ))
 OR {  413}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 116  and name HB2 ))
 OR {  413}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 116  and name HB2 ))
 ASSI {  414}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 90   and name HB  ))
      3.100     1.200     1.200 peak   414 spectrum    1 weight  0.10000E+01 volume  0.26828E-02 ppm1      7.735 ppm2      1.903 CV     1
 OR {  414}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 90   and name HB  ))
 ASSI {  415}
   (( segid B    and resid 20   and name HN  ))
   (( segid B    and resid 90   and name HB  ))
      3.800     1.800     1.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.12406E-02 ppm1      8.764 ppm2      1.904 CV     1
 OR {  415}
   (( segid A    and resid 20   and name HN  ))
   (( segid A    and resid 90   and name HB  ))
 ASSI {  416}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 90   and name HB  ))
      2.300     0.600     0.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.11569E-01 ppm1      8.729 ppm2      1.915 CV     1
 OR {  416}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 90   and name HB  ))
 ASSI {  418}
   (( segid B    and resid 48   and name HN  ))
   (( segid B    and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.42627E-02 ppm1      8.168 ppm2      1.938 CV     1
 OR {  418}
   (( segid A    and resid 48   and name HN  ))
   (( segid A    and resid 47   and name HB1 ))
 OR {  418}
   (( segid B    and resid 48   and name HN  ))
   (( segid B    and resid 47   and name HB2 ))
 OR {  418}
   (( segid A    and resid 48   and name HN  ))
   (( segid A    and resid 47   and name HB2 ))
 ASSI {  419}
   (( segid B    and resid 49   and name HN  ))
   (( segid B    and resid 47   and name HB1 ))
      3.200     1.300     1.300 peak   419 spectrum    1 weight  0.10000E+01 volume  0.12531E-02 ppm1      7.551 ppm2      1.938 CV     1
 OR {  419}
   (( segid A    and resid 49   and name HN  ))
   (( segid A    and resid 47   and name HB1 ))
 ASSI {  420}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 47   and name HB2 ))
      4.100     2.100     1.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.10062E-02 ppm1      7.282 ppm2      1.939 CV     1
 OR {  420}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 47   and name HB2 ))
 OR {  420}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 47   and name HB1 ))
 OR {  420}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 47   and name HB1 ))
 ASSI {  423}
   (( segid A    and resid 89   and name HN  ))
   (( segid A    and resid 89   and name HB1 ))
      3.100     1.200     1.200 peak   423 spectrum    1 weight  0.10000E+01 volume  0.23829E-02 ppm1      9.601 ppm2      1.942 CV     1
 OR {  423}
   (( segid B    and resid 89   and name HN  ))
   (( segid B    and resid 89   and name HB1 ))
 ASSI {  424}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 47   and name HB2 ))
      2.000     0.500     0.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.16966E-01 ppm1      7.173 ppm2      1.944 CV     1
 OR {  424}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 47   and name HB2 ))
 OR {  424}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 47   and name HB1 ))
 OR {  424}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 47   and name HB1 ))
 ASSI {  425}
   (( segid A    and resid 32   and name HN  ))
   (( segid A    and resid 32   and name HB1 ))
      2.300     0.700     0.700 peak   425 spectrum    1 weight  0.10000E+01 volume  0.10381E-01 ppm1      8.204 ppm2      1.945 CV     1
 OR {  425}
   (( segid B    and resid 32   and name HN  ))
   (( segid B    and resid 32   and name HB1 ))
 OR {  425}
   (( segid A    and resid 32   and name HN  ))
   (( segid A    and resid 32   and name HB2 ))
 OR {  425}
   (( segid B    and resid 32   and name HN  ))
   (( segid B    and resid 32   and name HB2 ))
 ASSI {  426}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 29   and name HB2 ))
      3.700     1.700     1.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.16409E-02 ppm1      8.317 ppm2      1.945 CV     1
 OR {  426}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 29   and name HB2 ))
 ASSI {  427}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 32   and name HB2 ))
      2.500     0.800     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.58663E-02 ppm1      7.753 ppm2      1.945 CV     1
 OR {  427}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 32   and name HB2 ))
 OR {  427}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 32   and name HB1 ))
 OR {  427}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 32   and name HB1 ))
 ASSI {  428}
   (( segid B    and resid 99   and name HN  ))
   (( segid B    and resid 99   and name HB2 ))
      3.700     1.700     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.63865E-03 ppm1      8.512 ppm2      1.946 CV     1
 OR {  428}
   (( segid A    and resid 99   and name HN  ))
   (( segid A    and resid 99   and name HB2 ))
 OR {  428}
   (( segid A    and resid 99   and name HN  ))
   (( segid A    and resid 99   and name HB1 ))
 OR {  428}
   (( segid B    and resid 99   and name HN  ))
   (( segid B    and resid 99   and name HB1 ))
 ASSI {  429}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak   429 spectrum    1 weight  0.10000E+01 volume  0.87275E-02 ppm1      7.129 ppm2      1.948 CV     1
 OR {  429}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 29   and name HB2 ))
 ASSI {  430}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 96   and name HB  ))
      2.200     0.600     0.600 peak   430 spectrum    1 weight  0.10000E+01 volume  0.94772E-02 ppm1      7.370 ppm2      1.949 CV     1
 OR {  430}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 96   and name HB  ))
 ASSI {  431}
   (( segid B    and resid 97   and name HN  ))
   (( segid B    and resid 96   and name HB  ))
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.18466E-02 ppm1      8.589 ppm2      1.950 CV     1
 OR {  431}
   (( segid A    and resid 97   and name HN  ))
   (( segid A    and resid 96   and name HB  ))
 ASSI {  433}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 89   and name HB1 ))
      4.200     2.200     1.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.51272E-03 ppm1      7.269 ppm2      1.952 CV     1
 OR {  433}
   (( segid A    and resid 22   and name HE  ))
   (( segid A    and resid 89   and name HB1 ))
 ASSI {  434}
   (( segid A    and resid 124  and name HN  ))
   (( segid A    and resid 124  and name HB2 ))
      3.500     1.500     1.500 peak   434 spectrum    1 weight  0.10000E+01 volume  0.13584E-02 ppm1      8.344 ppm2      1.955 CV     1
 OR {  434}
   (( segid B    and resid 124  and name HN  ))
   (( segid B    and resid 124  and name HB2 ))
 ASSI {  435}
   (( segid B    and resid 125  and name HN  ))
   (( segid B    and resid 125  and name HB1 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.11546E-01 ppm1      7.992 ppm2      1.961 CV     1
 OR {  435}
   (( segid A    and resid 125  and name HN  ))
   (( segid A    and resid 125  and name HB1 ))
 ASSI {  436}
   (( segid A    and resid 79   and name HN  ))
   (( segid A    and resid 81   and name HB2 ))
      4.100     2.100     1.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.51579E-03 ppm1      8.573 ppm2      1.970 CV     1
 OR {  436}
   (( segid B    and resid 79   and name HN  ))
   (( segid B    and resid 81   and name HB2 ))
 ASSI {  437}
   (( segid A    and resid 35   and name HN  ))
   (( segid A    and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.12752E-02 ppm1      8.595 ppm2      1.974 CV     1
 OR {  437}
   (( segid B    and resid 35   and name HN  ))
   (( segid B    and resid 35   and name HB2 ))
 ASSI {  440}
   (( segid A    and resid 122  and name HN  ))
   (( segid A    and resid 122  and name HB1 ))
      2.400     0.700     0.700 peak   440 spectrum    1 weight  0.10000E+01 volume  0.95765E-02 ppm1      8.329 ppm2      1.978 CV     1
 OR {  440}
   (( segid B    and resid 122  and name HN  ))
   (( segid B    and resid 122  and name HB1 ))
 ASSI {  441}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.21048E-02 ppm1      8.579 ppm2      1.978 CV     1
 OR {  441}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 35   and name HB2 ))
 ASSI {  445}
   (( segid B    and resid 6    and name HN  ))
   (( segid B    and resid 6    and name HB1 ))
      2.300     0.700     0.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.16881E-01 ppm1      8.162 ppm2      1.985 CV     1
 OR {  445}
   (( segid A    and resid 6    and name HN  ))
   (( segid A    and resid 6    and name HB1 ))
 ASSI {  446}
   (( segid A    and resid 7    and name HN  ))
   (( segid A    and resid 6    and name HB1 ))
      2.700     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.44283E-02 ppm1      8.125 ppm2      1.986 CV     1
 OR {  446}
   (( segid B    and resid 7    and name HN  ))
   (( segid B    and resid 6    and name HB1 ))
 ASSI {  448}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 69   and name HG1 ))
      3.600     1.600     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.13548E-02 ppm1      8.092 ppm2      1.988 CV     1
 OR {  448}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 69   and name HG1 ))
 OR {  448}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 69   and name HG2 ))
 OR {  448}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 69   and name HG2 ))
 ASSI {  450}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 37   and name HG12))
      2.900     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.29767E-02 ppm1      7.895 ppm2      1.995 CV     1
 OR {  450}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 37   and name HG12))
 ASSI {  453}
   (( segid B    and resid 67   and name HN  ))
   (( segid B    and resid 66   and name HB1 ))
      3.500     1.500     1.500 peak   453 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      8.592 ppm2      2.015 CV     1
 OR {  453}
   (( segid A    and resid 67   and name HN  ))
   (( segid A    and resid 66   and name HB1 ))
 ASSI {  454}
   (( segid A    and resid 95   and name HN  ))
   (( segid A    and resid 94   and name HB1 ))
      3.100     1.200     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.43342E-02 ppm1      8.771 ppm2      2.019 CV     1
 OR {  454}
   (( segid B    and resid 95   and name HN  ))
   (( segid B    and resid 94   and name HB1 ))
 ASSI {  456}
   (( segid A    and resid 94   and name HN  ))
   (( segid A    and resid 94   and name HB1 ))
      2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.34219E-02 ppm1      8.716 ppm2      2.023 CV     1
 OR {  456}
   (( segid B    and resid 94   and name HN  ))
   (( segid B    and resid 94   and name HB1 ))
 ASSI {  457}
   (( segid A    and resid 64   and name HE1 ))
   (( segid A    and resid 66   and name HB1 ))
      4.000     2.000     2.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.57770E-03 ppm1     10.672 ppm2      2.024 CV     1
 OR {  457}
   (( segid B    and resid 64   and name HE1 ))
   (( segid B    and resid 66   and name HB1 ))
 ASSI {  459}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 66   and name HB1 ))
      4.200     2.200     1.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.53780E-03 ppm1      8.773 ppm2      2.028 CV     1
 OR {  459}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 66   and name HB1 ))
 ASSI {  462}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 93   and name HB1 ))
      2.900     1.100     1.100 peak   462 spectrum    1 weight  0.10000E+01 volume  0.68346E-02 ppm1      8.443 ppm2      2.042 CV     1
 OR {  462}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 93   and name HB1 ))
 ASSI {  463}
   (( segid A    and resid 113  and name HN  ))
   (( segid A    and resid 112  and name HB2 ))
      3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.17998E-02 ppm1      8.157 ppm2      2.047 CV     1
 OR {  463}
   (( segid B    and resid 113  and name HN  ))
   (( segid B    and resid 112  and name HB2 ))
 OR {  463}
   (( segid A    and resid 113  and name HN  ))
   (( segid A    and resid 112  and name HB1 ))
 OR {  463}
   (( segid B    and resid 113  and name HN  ))
   (( segid B    and resid 112  and name HB1 ))
 ASSI {  464}
   (( segid A    and resid 75   and name HN  ))
   (( segid A    and resid 74   and name HG1 ))
      3.800     1.800     1.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.13712E-02 ppm1      7.665 ppm2      2.049 CV     1
 OR {  464}
   (( segid B    and resid 75   and name HN  ))
   (( segid B    and resid 74   and name HG1 ))
 ASSI {  465}
   (( segid B    and resid 112  and name HN  ))
   (( segid B    and resid 112  and name HB1 ))
      3.400     1.500     1.500 peak   465 spectrum    1 weight  0.10000E+01 volume  0.12683E-02 ppm1      8.866 ppm2      2.050 CV     1
 OR {  465}
   (( segid A    and resid 112  and name HN  ))
   (( segid A    and resid 112  and name HB1 ))
 OR {  465}
   (( segid A    and resid 112  and name HN  ))
   (( segid A    and resid 112  and name HB2 ))
 OR {  465}
   (( segid B    and resid 112  and name HN  ))
   (( segid B    and resid 112  and name HB2 ))
 ASSI {  467}
   (( segid A    and resid 115  and name HN  ))
   (( segid A    and resid 112  and name HB2 ))
      2.900     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.15075E-02 ppm1      7.839 ppm2      2.054 CV     1
 OR {  467}
   (( segid B    and resid 115  and name HN  ))
   (( segid B    and resid 112  and name HB2 ))
 OR {  467}
   (( segid A    and resid 115  and name HN  ))
   (( segid A    and resid 112  and name HB1 ))
 ASSI {  468}
   (( segid A    and resid 74   and name HN  ))
   (( segid A    and resid 74   and name HG1 ))
      3.700     1.700     1.700 peak   468 spectrum    1 weight  0.10000E+01 volume  0.27249E-02 ppm1      7.743 ppm2      2.056 CV     1
 OR {  468}
   (( segid B    and resid 74   and name HN  ))
   (( segid B    and resid 74   and name HG1 ))
 ASSI {  469}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 80   and name HB2 ))
      2.700     0.900     0.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.28597E-02 ppm1      7.028 ppm2      2.057 CV     1
 OR {  469}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 80   and name HB2 ))
 ASSI {  470}
   (( segid B    and resid 80   and name HN  ))
   (( segid B    and resid 80   and name HB2 ))
      2.300     0.600     0.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.64619E-02 ppm1      8.443 ppm2      2.059 CV     1
 OR {  470}
   (( segid A    and resid 80   and name HN  ))
   (( segid A    and resid 80   and name HB2 ))
 ASSI {  471}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 89   and name HB2 ))
      3.100     1.200     1.200 peak   471 spectrum    1 weight  0.10000E+01 volume  0.29039E-02 ppm1      8.728 ppm2      2.059 CV     1
 OR {  471}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 89   and name HB2 ))
 ASSI {  472}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 89   and name HB2 ))
      3.900     1.900     1.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.10230E-02 ppm1      7.936 ppm2      2.059 CV     1
 OR {  472}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 89   and name HB2 ))
 OR {  472}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 89   and name HG1 ))
 ASSI {  473}
   (( segid B    and resid 80   and name HE21))
   (( segid B    and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.49189E-02 ppm1      6.648 ppm2      2.059 CV     1
 OR {  473}
   (( segid A    and resid 80   and name HE21))
   (( segid A    and resid 80   and name HG1 ))
 ASSI {  475}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 89   and name HB2 ))
      4.100     2.100     1.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.68280E-03 ppm1      7.264 ppm2      2.061 CV     1
 OR {  475}
   (( segid A    and resid 22   and name HE  ))
   (( segid A    and resid 89   and name HB2 ))
 OR {  475}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 89   and name HG1 ))
 ASSI {  476}
   (( segid A    and resid 83   and name HN  ))
   (( segid A    and resid 83   and name HB1 ))
      3.000     1.100     1.100 peak   476 spectrum    1 weight  0.10000E+01 volume  0.36055E-02 ppm1      8.701 ppm2      2.061 CV     1
 OR {  476}
   (( segid B    and resid 83   and name HN  ))
   (( segid B    and resid 83   and name HB1 ))
 ASSI {  477}
   (( segid A    and resid 80   and name HE22))
   (( segid A    and resid 80   and name HG1 ))
      3.100     1.200     1.200 peak   477 spectrum    1 weight  0.10000E+01 volume  0.58500E-02 ppm1      6.844 ppm2      2.061 CV     1
 OR {  477}
   (( segid B    and resid 80   and name HE22))
   (( segid B    and resid 80   and name HG1 ))
 ASSI {  478}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak   478 spectrum    1 weight  0.10000E+01 volume  0.37888E-02 ppm1      8.317 ppm2      2.062 CV     1
 OR {  478}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 27   and name HB1 ))
 ASSI {  479}
   (( segid B    and resid 89   and name HN  ))
   (( segid B    and resid 89   and name HB2 ))
      2.700     0.900     0.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.24823E-02 ppm1      9.603 ppm2      2.065 CV     1
 OR {  479}
   (( segid A    and resid 89   and name HN  ))
   (( segid A    and resid 89   and name HB2 ))
 ASSI {  480}
   (( segid A    and resid 107  and name HN  ))
   (  segid A    and resid 106  and name HE% )
      3.300     1.300     1.300 peak   480 spectrum    1 weight  0.10000E+01 volume  0.47007E-03 ppm1      9.091 ppm2      2.065 CV     1
 OR {  480}
   (( segid B    and resid 107  and name HN  ))
   (  segid B    and resid 106  and name HE% )
 ASSI {  481}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 58   and name HB1 ))
      3.900     1.900     1.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.82513E-03 ppm1      9.288 ppm2      2.068 CV     1
 OR {  481}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 58   and name HB1 ))
 ASSI {  482}
   (( segid B    and resid 58   and name HE22))
   (( segid B    and resid 58   and name HB1 ))
      4.200     2.200     1.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.77751E-03 ppm1      7.534 ppm2      2.068 CV     1
 OR {  482}
   (( segid A    and resid 58   and name HE22))
   (( segid A    and resid 58   and name HB1 ))
 ASSI {  484}
   (( segid B    and resid 59   and name HN  ))
   (( segid B    and resid 58   and name HB1 ))
      3.700     1.700     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.59708E-03 ppm1      6.505 ppm2      2.080 CV     1
 OR {  484}
   (( segid A    and resid 59   and name HN  ))
   (( segid A    and resid 58   and name HB1 ))
 ASSI {  485}
   (( segid A    and resid 58   and name HE21))
   (( segid A    and resid 58   and name HB1 ))
      4.100     2.100     1.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.65498E-03 ppm1      6.877 ppm2      2.081 CV     1
 OR {  485}
   (( segid B    and resid 58   and name HE21))
   (( segid B    and resid 58   and name HB1 ))
 ASSI {  486}
   (( segid B    and resid 122  and name HN  ))
   (( segid B    and resid 122  and name HB2 ))
      2.600     0.800     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.49058E-02 ppm1      8.330 ppm2      2.085 CV     1
 OR {  486}
   (( segid A    and resid 122  and name HN  ))
   (( segid A    and resid 122  and name HB2 ))
 ASSI {  488}
   (( segid A    and resid 57   and name HN  ))
   (( segid A    and resid 58   and name HB1 ))
      3.900     1.900     1.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.77853E-03 ppm1      8.557 ppm2      2.098 CV     1
 OR {  488}
   (( segid B    and resid 57   and name HN  ))
   (( segid B    and resid 58   and name HB1 ))
 ASSI {  489}
   (( segid B    and resid 75   and name HN  ))
   (( segid B    and resid 76   and name HB2 ))
      3.300     3.300     2.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.30493E-02 ppm1      7.655 ppm2      2.103 CV     1
 OR {  489}
   (( segid A    and resid 75   and name HN  ))
   (( segid A    and resid 76   and name HB2 ))
 ASSI {  490}
   (( segid B    and resid 76   and name HN  ))
   (( segid B    and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.31927E-02 ppm1      8.498 ppm2      2.105 CV     1
 OR {  490}
   (( segid A    and resid 76   and name HN  ))
   (( segid A    and resid 76   and name HB2 ))
 ASSI {  491}
   (( segid A    and resid 84   and name HN  ))
   (( segid A    and resid 84   and name HB2 ))
      3.600     1.700     1.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.74066E-03 ppm1      9.606 ppm2      2.105 CV     1
 OR {  491}
   (( segid B    and resid 84   and name HN  ))
   (( segid B    and resid 84   and name HB2 ))
 OR {  491}
   (( segid A    and resid 84   and name HN  ))
   (( segid A    and resid 84   and name HB1 ))
 OR {  491}
   (( segid B    and resid 84   and name HN  ))
   (( segid B    and resid 84   and name HB1 ))
 ASSI {  492}
   (( segid A    and resid 74   and name HN  ))
   (( segid A    and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak   492 spectrum    1 weight  0.10000E+01 volume  0.78433E-02 ppm1      7.740 ppm2      2.108 CV     1
 OR {  492}
   (( segid B    and resid 74   and name HN  ))
   (( segid B    and resid 74   and name HB1 ))
 ASSI {  493}
   (( segid A    and resid 123  and name HN  ))
   (( segid A    and resid 122  and name HB2 ))
      3.900     1.900     1.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.10684E-02 ppm1      8.305 ppm2      2.109 CV     1
 OR {  493}
   (( segid B    and resid 123  and name HN  ))
   (( segid B    and resid 122  and name HB2 ))
 ASSI {  495}
   (( segid A    and resid 77   and name HN  ))
   (( segid A    and resid 74   and name HB1 ))
      2.600     2.600     3.400 peak   495 spectrum    1 weight  0.10000E+01 volume  0.20522E-02 ppm1      7.877 ppm2      2.113 CV     1
 OR {  495}
   (( segid B    and resid 77   and name HN  ))
   (( segid B    and resid 74   and name HB1 ))
 ASSI {  497}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 27   and name HG1 ))
      3.300     1.300     1.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.44935E-02 ppm1      8.317 ppm2      2.117 CV     1
 OR {  497}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 27   and name HG1 ))
 ASSI {  498}
   (( segid A    and resid 6    and name HN  ))
   (( segid A    and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.75178E-02 ppm1      8.162 ppm2      2.118 CV     1
 OR {  498}
   (( segid B    and resid 6    and name HN  ))
   (( segid B    and resid 6    and name HB2 ))
 ASSI {  499}
   (( segid A    and resid 12   and name HN  ))
   (( segid A    and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak   499 spectrum    1 weight  0.10000E+01 volume  0.18962E-02 ppm1      8.165 ppm2      2.120 CV     1
 OR {  499}
   (( segid B    and resid 12   and name HN  ))
   (( segid B    and resid 11   and name HB1 ))
 ASSI {  500}
   (( segid B    and resid 7    and name HN  ))
   (( segid B    and resid 6    and name HB2 ))
      2.900     1.100     1.100 peak   500 spectrum    1 weight  0.10000E+01 volume  0.62615E-02 ppm1      8.126 ppm2      2.121 CV     1
 OR {  500}
   (( segid A    and resid 7    and name HN  ))
   (( segid A    and resid 6    and name HB2 ))
 ASSI {  501}
   (( segid B    and resid 11   and name HN  ))
   (( segid B    and resid 11   and name HB1 ))
      2.600     0.900     0.900 peak   501 spectrum    1 weight  0.10000E+01 volume  0.68813E-02 ppm1      8.310 ppm2      2.121 CV     1
 OR {  501}
   (( segid A    and resid 11   and name HN  ))
   (( segid A    and resid 11   and name HB1 ))
 ASSI {  503}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 39   and name HB1 ))
      3.500     1.500     1.500 peak   503 spectrum    1 weight  0.10000E+01 volume  0.19328E-02 ppm1      8.797 ppm2      2.147 CV     1
 OR {  503}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 39   and name HB1 ))
 ASSI {  505}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 27   and name HG2 ))
      2.400     2.400     3.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.34150E-02 ppm1      7.129 ppm2      2.154 CV     1
 OR {  505}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 27   and name HG2 ))
 ASSI {  506}
   (( segid A    and resid 125  and name HN  ))
   (( segid A    and resid 125  and name HB2 ))
      2.800     1.000     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.29064E-02 ppm1      7.994 ppm2      2.155 CV     1
 OR {  506}
   (( segid B    and resid 125  and name HN  ))
   (( segid B    and resid 125  and name HB2 ))
 ASSI {  507}
   (( segid B    and resid 40   and name HN  ))
   (( segid B    and resid 39   and name HB1 ))
      3.000     1.100     1.100 peak   507 spectrum    1 weight  0.10000E+01 volume  0.20293E-02 ppm1      8.086 ppm2      2.156 CV     1
 OR {  507}
   (( segid A    and resid 40   and name HN  ))
   (( segid A    and resid 39   and name HB1 ))
 ASSI {  509}
   (( segid A    and resid 26   and name HN  ))
   (( segid A    and resid 27   and name HG2 ))
      4.600     2.700     1.400 peak   509 spectrum    1 weight  0.10000E+01 volume  0.76459E-03 ppm1      8.396 ppm2      2.161 CV     1
 OR {  509}
   (( segid B    and resid 26   and name HN  ))
   (( segid B    and resid 27   and name HG2 ))
 ASSI {  510}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 93   and name HG1 ))
      2.900     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20504E-02 ppm1      8.443 ppm2      2.166 CV     1
 OR {  510}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 93   and name HG1 ))
 ASSI {  511}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 27   and name HG2 ))
      2.800     1.000     1.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.24133E-02 ppm1      8.317 ppm2      2.176 CV     1
 OR {  511}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 27   and name HG2 ))
 ASSI {  513}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 17   and name HB  ))
      2.800     1.000     1.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.71128E-02 ppm1      9.028 ppm2      2.184 CV     1
 OR {  513}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 17   and name HB  ))
 ASSI {  515}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 17   and name HB  ))
      4.000     2.000     2.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.15250E-02 ppm1      7.865 ppm2      2.187 CV     1
 OR {  515}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 17   and name HB  ))
 ASSI {  518}
   (( segid B    and resid 42   and name HN  ))
   (( segid B    and resid 42   and name HB1 ))
      3.100     1.200     1.200 peak   518 spectrum    1 weight  0.10000E+01 volume  0.11346E-02 ppm1      8.748 ppm2      2.189 CV     1
 OR {  518}
   (( segid A    and resid 42   and name HN  ))
   (( segid A    and resid 42   and name HB1 ))
 ASSI {  521}
   (( segid A    and resid 43   and name HN  ))
   (( segid A    and resid 42   and name HB1 ))
      2.900     1.100     1.100 peak   521 spectrum    1 weight  0.10000E+01 volume  0.16467E-02 ppm1      6.931 ppm2      2.195 CV     1
 OR {  521}
   (( segid B    and resid 43   and name HN  ))
   (( segid B    and resid 42   and name HB1 ))
 ASSI {  522}
   (( segid B    and resid 49   and name HE21))
   (( segid B    and resid 49   and name HB1 ))
      4.000     2.000     2.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.76644E-03 ppm1      6.855 ppm2      2.201 CV     1
 OR {  522}
   (( segid A    and resid 49   and name HE21))
   (( segid A    and resid 49   and name HB1 ))
 ASSI {  523}
   (( segid A    and resid 49   and name HN  ))
   (( segid A    and resid 49   and name HB1 ))
      3.400     1.400     1.400 peak   523 spectrum    1 weight  0.10000E+01 volume  0.27289E-02 ppm1      7.550 ppm2      2.202 CV     1
 OR {  523}
   (( segid B    and resid 49   and name HN  ))
   (( segid B    and resid 49   and name HB1 ))
 ASSI {  524}
   (( segid A    and resid 49   and name HE22))
   (( segid A    and resid 49   and name HB1 ))
      4.200     2.200     1.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.98236E-03 ppm1      7.567 ppm2      2.204 CV     1
 OR {  524}
   (( segid B    and resid 49   and name HE22))
   (( segid B    and resid 49   and name HB1 ))
 ASSI {  525}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 49   and name HB1 ))
      4.100     2.100     1.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.74861E-03 ppm1      8.998 ppm2      2.207 CV     1
 OR {  525}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 49   and name HB1 ))
 ASSI {  526}
   (( segid A    and resid 94   and name HN  ))
   (( segid A    and resid 94   and name HB2 ))
      3.000     1.100     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.26814E-02 ppm1      8.722 ppm2      2.208 CV     1
 OR {  526}
   (( segid B    and resid 94   and name HN  ))
   (( segid B    and resid 94   and name HB2 ))
 ASSI {  527}
   (( segid A    and resid 95   and name HN  ))
   (( segid A    and resid 94   and name HB2 ))
      2.600     0.800     0.800 peak   527 spectrum    1 weight  0.10000E+01 volume  0.45419E-02 ppm1      8.771 ppm2      2.217 CV     1
 OR {  527}
   (( segid B    and resid 95   and name HN  ))
   (( segid B    and resid 94   and name HB2 ))
 ASSI {  528}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 58   and name HB2 ))
      3.500     1.600     1.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.79761E-03 ppm1      9.277 ppm2      2.225 CV     1
 OR {  528}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 58   and name HB2 ))
 ASSI {  529}
   (( segid A    and resid 58   and name HE21))
   (( segid A    and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.10219E-02 ppm1      6.878 ppm2      2.228 CV     1
 OR {  529}
   (( segid B    and resid 58   and name HE21))
   (( segid B    and resid 58   and name HB2 ))
 ASSI {  530}
   (( segid A    and resid 59   and name HN  ))
   (( segid A    and resid 58   and name HB2 ))
      4.300     2.300     1.700 peak   530 spectrum    1 weight  0.10000E+01 volume  0.48371E-03 ppm1      6.506 ppm2      2.231 CV     1
 OR {  530}
   (( segid B    and resid 59   and name HN  ))
   (( segid B    and resid 58   and name HB2 ))
 ASSI {  531}
   (( segid B    and resid 58   and name HE22))
   (( segid B    and resid 58   and name HB2 ))
      4.100     2.100     1.900 peak   531 spectrum    1 weight  0.10000E+01 volume  0.93168E-03 ppm1      7.538 ppm2      2.233 CV     1
 OR {  531}
   (( segid A    and resid 58   and name HE22))
   (( segid A    and resid 58   and name HB2 ))
 ASSI {  533}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 93   and name HG2 ))
      4.000     2.000     2.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.90105E-03 ppm1      7.731 ppm2      2.241 CV     1
 OR {  533}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 93   and name HG2 ))
 OR {  533}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 93   and name HB2 ))
 ASSI {  535}
   (( segid A    and resid 10   and name HN  ))
   (( segid A    and resid 9    and name HB  ))
      2.600     0.800     2.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.56732E-02 ppm1      8.314 ppm2      2.245 CV     1
 OR {  535}
   (( segid B    and resid 10   and name HN  ))
   (( segid B    and resid 9    and name HB  ))
 ASSI {  536}
   (( segid A    and resid 75   and name HN  ))
   (( segid A    and resid 74   and name HB2 ))
      3.500     1.500     1.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.23194E-02 ppm1      7.655 ppm2      2.247 CV     1
 OR {  536}
   (( segid B    and resid 75   and name HN  ))
   (( segid B    and resid 74   and name HB2 ))
 ASSI {  537}
   (( segid A    and resid 74   and name HN  ))
   (( segid A    and resid 74   and name HB2 ))
      2.100     0.600     0.600 peak   537 spectrum    1 weight  0.10000E+01 volume  0.96926E-02 ppm1      7.741 ppm2      2.248 CV     1
 OR {  537}
   (( segid B    and resid 74   and name HN  ))
   (( segid B    and resid 74   and name HB2 ))
 ASSI {  538}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 93   and name HG2 ))
      3.300     1.400     1.400 peak   538 spectrum    1 weight  0.10000E+01 volume  0.32990E-02 ppm1      8.443 ppm2      2.250 CV     1
 OR {  538}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 93   and name HG2 ))
 ASSI {  540}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 39   and name HB2 ))
      2.700     0.900     0.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.22104E-02 ppm1      8.797 ppm2      2.269 CV     1
 OR {  540}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 39   and name HB2 ))
 ASSI {  541}
   (( segid A    and resid 40   and name HN  ))
   (( segid A    and resid 39   and name HB2 ))
      3.000     1.100     1.100 peak   541 spectrum    1 weight  0.10000E+01 volume  0.16088E-02 ppm1      8.089 ppm2      2.271 CV     1
 OR {  541}
   (( segid B    and resid 40   and name HN  ))
   (( segid B    and resid 39   and name HB2 ))
 ASSI {  542}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 94   and name HG1 ))
      3.300     1.400     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.11430E-02 ppm1      9.025 ppm2      2.273 CV     1
 OR {  542}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 94   and name HG1 ))
 OR {  542}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 94   and name HG2 ))
 OR {  542}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 94   and name HG2 ))
 ASSI {  543}
   (( segid A    and resid 95   and name HN  ))
   (( segid A    and resid 94   and name HG1 ))
      3.100     1.200     1.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.27017E-02 ppm1      8.771 ppm2      2.275 CV     1
 OR {  543}
   (( segid B    and resid 95   and name HN  ))
   (( segid B    and resid 94   and name HG1 ))
 OR {  543}
   (( segid B    and resid 95   and name HN  ))
   (( segid B    and resid 94   and name HG2 ))
 OR {  543}
   (( segid A    and resid 95   and name HN  ))
   (( segid A    and resid 94   and name HG2 ))
 ASSI {  544}
   (( segid B    and resid 94   and name HN  ))
   (( segid B    and resid 94   and name HG2 ))
      2.700     0.900     0.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.40990E-02 ppm1      8.715 ppm2      2.276 CV     1
 OR {  544}
   (( segid A    and resid 94   and name HN  ))
   (( segid A    and resid 94   and name HG2 ))
 OR {  544}
   (( segid A    and resid 94   and name HN  ))
   (( segid A    and resid 94   and name HG1 ))
 OR {  544}
   (( segid B    and resid 94   and name HN  ))
   (( segid B    and resid 94   and name HG1 ))
 ASSI {  546}
   (( segid B    and resid 122  and name HN  ))
   (( segid B    and resid 122  and name HG1 ))
      3.100     1.200     1.200 peak   546 spectrum    1 weight  0.10000E+01 volume  0.42097E-02 ppm1      8.330 ppm2      2.285 CV     1
 OR {  546}
   (( segid A    and resid 122  and name HN  ))
   (( segid A    and resid 122  and name HG1 ))
 OR {  546}
   (( segid B    and resid 122  and name HN  ))
   (( segid B    and resid 122  and name HG2 ))
 OR {  546}
   (( segid A    and resid 122  and name HN  ))
   (( segid A    and resid 122  and name HG2 ))
 ASSI {  548}
   (( segid A    and resid 7    and name HN  ))
   (( segid A    and resid 6    and name HG2 ))
      3.200     1.300     1.300 peak   548 spectrum    1 weight  0.10000E+01 volume  0.24263E-02 ppm1      8.126 ppm2      2.294 CV     1
 OR {  548}
   (( segid B    and resid 7    and name HN  ))
   (( segid B    and resid 6    and name HG2 ))
 ASSI {  554}
   (( segid B    and resid 80   and name HE21))
   (( segid B    and resid 80   and name HG2 ))
      2.400     0.700     0.700 peak   554 spectrum    1 weight  0.10000E+01 volume  0.28475E-02 ppm1      6.649 ppm2      2.315 CV     1
 OR {  554}
   (( segid A    and resid 80   and name HE21))
   (( segid A    and resid 80   and name HG2 ))
 ASSI {  556}
   (( segid A    and resid 80   and name HE22))
   (( segid A    and resid 80   and name HG2 ))
      3.400     1.400     1.400 peak   556 spectrum    1 weight  0.10000E+01 volume  0.30152E-02 ppm1      6.843 ppm2      2.320 CV     1
 OR {  556}
   (( segid B    and resid 80   and name HE22))
   (( segid B    and resid 80   and name HG2 ))
 ASSI {  557}
   (( segid A    and resid 74   and name HN  ))
   (( segid A    and resid 74   and name HG2 ))
      3.800     1.800     1.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      7.740 ppm2      2.327 CV     1
 OR {  557}
   (( segid B    and resid 74   and name HN  ))
   (( segid B    and resid 74   and name HG2 ))
 ASSI {  558}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 49   and name HG2 ))
      2.900     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.96513E-03 ppm1      8.996 ppm2      2.328 CV     1
 OR {  558}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 49   and name HG1 ))
 OR {  558}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 49   and name HG2 ))
 OR {  558}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 49   and name HG1 ))
 ASSI {  559}
   (( segid A    and resid 112  and name HN  ))
   (( segid A    and resid 112  and name HG1 ))
      4.300     2.300     1.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.43261E-03 ppm1      8.869 ppm2      2.331 CV     1
 OR {  559}
   (( segid B    and resid 112  and name HN  ))
   (( segid B    and resid 112  and name HG1 ))
 ASSI {  564}
   (( segid A    and resid 49   and name HE22))
   (( segid A    and resid 49   and name HG1 ))
      3.200     1.300     1.300 peak   564 spectrum    1 weight  0.10000E+01 volume  0.39380E-02 ppm1      7.567 ppm2      2.343 CV     1
 OR {  564}
   (( segid A    and resid 49   and name HE22))
   (( segid A    and resid 49   and name HG2 ))
 OR {  564}
   (( segid B    and resid 49   and name HE22))
   (( segid B    and resid 49   and name HG2 ))
 OR {  564}
   (( segid B    and resid 49   and name HE22))
   (( segid B    and resid 49   and name HG1 ))
 ASSI {  565}
   (( segid B    and resid 49   and name HE21))
   (( segid B    and resid 49   and name HG2 ))
      2.700     0.900     0.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.32468E-02 ppm1      6.852 ppm2      2.345 CV     1
 OR {  565}
   (( segid B    and resid 49   and name HE21))
   (( segid B    and resid 49   and name HG1 ))
 OR {  565}
   (( segid A    and resid 49   and name HE21))
   (( segid A    and resid 49   and name HG1 ))
 OR {  565}
   (( segid A    and resid 49   and name HE21))
   (( segid A    and resid 49   and name HG2 ))
 ASSI {  566}
   (( segid A    and resid 48   and name HN  ))
   (( segid A    and resid 49   and name HG1 ))
      4.000     2.000     2.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.87204E-03 ppm1      8.175 ppm2      2.346 CV     1
 OR {  566}
   (( segid B    and resid 48   and name HN  ))
   (( segid B    and resid 49   and name HG2 ))
 OR {  566}
   (( segid A    and resid 48   and name HN  ))
   (( segid A    and resid 49   and name HG2 ))
 OR {  566}
   (( segid B    and resid 48   and name HN  ))
   (( segid B    and resid 49   and name HG1 ))
 ASSI {  568}
   (( segid A    and resid 77   and name HN  ))
   (( segid A    and resid 76   and name HG1 ))
      4.300     2.400     1.700 peak   568 spectrum    1 weight  0.10000E+01 volume  0.72379E-03 ppm1      7.877 ppm2      2.353 CV     1
 OR {  568}
   (( segid B    and resid 77   and name HN  ))
   (( segid B    and resid 76   and name HG1 ))
 ASSI {  569}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 20   and name HB1 ))
      3.200     1.200     1.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.21023E-02 ppm1      7.734 ppm2      2.355 CV     1
 OR {  569}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 20   and name HB1 ))
 OR {  569}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 20   and name HB2 ))
 OR {  569}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 20   and name HB2 ))
 ASSI {  570}
   (( segid A    and resid 43   and name HN  ))
   (( segid A    and resid 42   and name HB2 ))
      3.700     1.700     1.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      6.931 ppm2      2.357 CV     1
 OR {  570}
   (( segid B    and resid 43   and name HN  ))
   (( segid B    and resid 42   and name HB2 ))
 ASSI {  572}
   (( segid B    and resid 21   and name HN  ))
   (( segid B    and resid 20   and name HB1 ))
      4.400     2.400     1.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.54590E-03 ppm1      8.766 ppm2      2.359 CV     1
 OR {  572}
   (( segid A    and resid 21   and name HN  ))
   (( segid A    and resid 20   and name HB1 ))
 OR {  572}
   (( segid B    and resid 21   and name HN  ))
   (( segid B    and resid 20   and name HB2 ))
 OR {  572}
   (( segid A    and resid 21   and name HN  ))
   (( segid A    and resid 20   and name HB2 ))
 ASSI {  573}
   (( segid B    and resid 42   and name HN  ))
   (( segid B    and resid 42   and name HB2 ))
      3.500     1.600     1.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.11080E-02 ppm1      8.741 ppm2      2.361 CV     1
 OR {  573}
   (( segid A    and resid 42   and name HN  ))
   (( segid A    and resid 42   and name HB2 ))
 ASSI {  574}
   (( segid A    and resid 76   and name HN  ))
   (( segid A    and resid 76   and name HG1 ))
      3.300     1.400     1.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.20595E-02 ppm1      8.498 ppm2      2.371 CV     1
 OR {  574}
   (( segid B    and resid 76   and name HN  ))
   (( segid B    and resid 76   and name HG1 ))
 ASSI {  575}
   (( segid B    and resid 40   and name HN  ))
   (( segid B    and resid 39   and name HG1 ))
      4.000     2.000     2.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.95920E-03 ppm1      8.089 ppm2      2.372 CV     1
 OR {  575}
   (( segid A    and resid 40   and name HN  ))
   (( segid A    and resid 39   and name HG1 ))
 ASSI {  576}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 39   and name HG1 ))
      3.000     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.26790E-02 ppm1      8.797 ppm2      2.383 CV     1
 OR {  576}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 39   and name HG1 ))
 ASSI {  578}
   (( segid A    and resid 58   and name HE21))
   (( segid A    and resid 58   and name HG2 ))
      2.700     0.900     0.900 peak   578 spectrum    1 weight  0.10000E+01 volume  0.29936E-02 ppm1      6.877 ppm2      2.391 CV     1
 OR {  578}
   (( segid A    and resid 58   and name HE21))
   (( segid A    and resid 58   and name HG1 ))
 OR {  578}
   (( segid B    and resid 58   and name HE21))
   (( segid B    and resid 58   and name HG2 ))
 OR {  578}
   (( segid B    and resid 58   and name HE21))
   (( segid B    and resid 58   and name HG1 ))
 ASSI {  579}
   (( segid B    and resid 58   and name HE22))
   (( segid B    and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.36420E-02 ppm1      7.537 ppm2      2.395 CV     1
 OR {  579}
   (( segid B    and resid 58   and name HE22))
   (( segid B    and resid 58   and name HG1 ))
 OR {  579}
   (( segid A    and resid 58   and name HE22))
   (( segid A    and resid 58   and name HG2 ))
 OR {  579}
   (( segid A    and resid 58   and name HE22))
   (( segid A    and resid 58   and name HG1 ))
 ASSI {  580}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 58   and name HG1 ))
      3.600     1.600     1.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.14046E-02 ppm1      9.288 ppm2      2.401 CV     1
 OR {  580}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 58   and name HG1 ))
 OR {  580}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 58   and name HG2 ))
 OR {  580}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 58   and name HG2 ))
 ASSI {  581}
   (( segid B    and resid 59   and name HN  ))
   (( segid B    and resid 58   and name HG2 ))
      4.400     2.400     1.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.41117E-03 ppm1      6.501 ppm2      2.407 CV     1
 OR {  581}
   (( segid A    and resid 59   and name HN  ))
   (( segid A    and resid 58   and name HG2 ))
 OR {  581}
   (( segid B    and resid 59   and name HN  ))
   (( segid B    and resid 58   and name HG1 ))
 OR {  581}
   (( segid A    and resid 59   and name HN  ))
   (( segid A    and resid 58   and name HG1 ))
 ASSI {  583}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak   583 spectrum    1 weight  0.10000E+01 volume  0.21509E-02 ppm1      8.316 ppm2      2.438 CV     1
 OR {  583}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 27   and name HB2 ))
 ASSI {  584}
   (( segid B    and resid 49   and name HN  ))
   (( segid B    and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak   584 spectrum    1 weight  0.10000E+01 volume  0.24145E-02 ppm1      7.550 ppm2      2.440 CV     1
 OR {  584}
   (( segid A    and resid 49   and name HN  ))
   (( segid A    and resid 49   and name HB2 ))
 ASSI {  585}
   (( segid A    and resid 64   and name HE1 ))
   (( segid A    and resid 66   and name HG2 ))
      3.600     1.600     1.600 peak   585 spectrum    1 weight  0.10000E+01 volume  0.71350E-03 ppm1     10.676 ppm2      2.442 CV     1
 OR {  585}
   (( segid B    and resid 64   and name HE1 ))
   (( segid B    and resid 66   and name HG1 ))
 OR {  585}
   (( segid B    and resid 64   and name HE1 ))
   (( segid B    and resid 66   and name HG2 ))
 OR {  585}
   (( segid A    and resid 64   and name HE1 ))
   (( segid A    and resid 66   and name HG1 ))
 ASSI {  586}
   (( segid A    and resid 49   and name HE22))
   (( segid A    and resid 49   and name HB2 ))
      3.800     1.800     1.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.12604E-02 ppm1      7.566 ppm2      2.444 CV     1
 OR {  586}
   (( segid B    and resid 49   and name HE22))
   (( segid B    and resid 49   and name HB2 ))
 ASSI {  587}
   (( segid B    and resid 49   and name HE21))
   (( segid B    and resid 49   and name HB2 ))
      3.700     1.700     1.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.73192E-03 ppm1      6.855 ppm2      2.444 CV     1
 OR {  587}
   (( segid A    and resid 49   and name HE21))
   (( segid A    and resid 49   and name HB2 ))
 ASSI {  588}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 66   and name HG2 ))
      3.400     1.500     1.500 peak   588 spectrum    1 weight  0.10000E+01 volume  0.13541E-02 ppm1      8.776 ppm2      2.452 CV     1
 OR {  588}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 66   and name HG1 ))
 OR {  588}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 66   and name HG2 ))
 OR {  588}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 66   and name HG1 ))
 ASSI {  589}
   (( segid A    and resid 66   and name HN  ))
   (( segid A    and resid 66   and name HG2 ))
      3.400     1.500     1.500 peak   589 spectrum    1 weight  0.10000E+01 volume  0.94832E-03 ppm1      8.910 ppm2      2.452 CV     1
 OR {  589}
   (( segid B    and resid 66   and name HN  ))
   (( segid B    and resid 66   and name HG1 ))
 OR {  589}
   (( segid B    and resid 66   and name HN  ))
   (( segid B    and resid 66   and name HG2 ))
 OR {  589}
   (( segid A    and resid 66   and name HN  ))
   (( segid A    and resid 66   and name HG1 ))
 ASSI {  590}
   (( segid B    and resid 67   and name HN  ))
   (( segid B    and resid 66   and name HB2 ))
      3.600     1.600     1.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.14413E-02 ppm1      8.586 ppm2      2.453 CV     1
 OR {  590}
   (( segid A    and resid 67   and name HN  ))
   (( segid A    and resid 66   and name HB2 ))
 ASSI {  591}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 49   and name HB2 ))
      3.700     1.700     1.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.75095E-03 ppm1      8.995 ppm2      2.453 CV     1
 OR {  591}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 49   and name HB2 ))
 ASSI {  592}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 21   and name HB1 ))
      3.900     1.900     1.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.60222E-03 ppm1      8.727 ppm2      2.453 CV     1
 OR {  592}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 21   and name HB1 ))
 ASSI {  593}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 33   and name HB1 ))
      2.900     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.34776E-02 ppm1      7.753 ppm2      2.459 CV     1
 OR {  593}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 33   and name HB1 ))
 ASSI {  594}
   (( segid B    and resid 34   and name HN  ))
   (( segid B    and resid 33   and name HB1 ))
      3.400     1.400     1.400 peak   594 spectrum    1 weight  0.10000E+01 volume  0.88807E-03 ppm1      7.663 ppm2      2.460 CV     1
 OR {  594}
   (( segid A    and resid 34   and name HN  ))
   (( segid A    and resid 33   and name HB1 ))
 ASSI {  595}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 33   and name HB1 ))
      3.200     3.200     2.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.55586E-03 ppm1      8.584 ppm2      2.465 CV     1
 OR {  595}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 33   and name HB1 ))
 ASSI {  596}
   (( segid A    and resid 30   and name HN  ))
   (( segid A    and resid 33   and name HB1 ))
      4.100     2.100     1.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.60395E-03 ppm1      9.316 ppm2      2.466 CV     1
 OR {  596}
   (( segid B    and resid 30   and name HN  ))
   (( segid B    and resid 33   and name HB1 ))
 ASSI {  600}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 39   and name HG2 ))
      3.600     1.700     1.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.14246E-02 ppm1      8.798 ppm2      2.506 CV     1
 OR {  600}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 39   and name HG2 ))
 ASSI {  601}
   (( segid B    and resid 40   and name HN  ))
   (( segid B    and resid 39   and name HG2 ))
      4.300     2.300     1.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.67126E-03 ppm1      8.088 ppm2      2.513 CV     1
 OR {  601}
   (( segid A    and resid 40   and name HN  ))
   (( segid A    and resid 39   and name HG2 ))
 ASSI {  605}
   (( segid B    and resid 115  and name HN  ))
   (( segid B    and resid 114  and name HB1 ))
      3.700     1.700     1.700 peak   605 spectrum    1 weight  0.10000E+01 volume  0.82232E-03 ppm1      7.872 ppm2      2.558 CV     1
 OR {  605}
   (( segid A    and resid 115  and name HN  ))
   (( segid A    and resid 114  and name HB1 ))
 ASSI {  606}
   (( segid A    and resid 114  and name HN  ))
   (( segid A    and resid 114  and name HB1 ))
      3.000     1.100     1.100 peak   606 spectrum    1 weight  0.10000E+01 volume  0.25368E-02 ppm1      7.791 ppm2      2.570 CV     1
 OR {  606}
   (( segid B    and resid 114  and name HN  ))
   (( segid B    and resid 114  and name HB1 ))
 ASSI {  607}
   (( segid B    and resid 76   and name HN  ))
   (( segid B    and resid 76   and name HG2 ))
      2.900     1.100     1.100 peak   607 spectrum    1 weight  0.10000E+01 volume  0.12421E-02 ppm1      8.495 ppm2      2.582 CV     1
 OR {  607}
   (( segid A    and resid 76   and name HN  ))
   (( segid A    and resid 76   and name HG2 ))
 ASSI {  608}
   (( segid A    and resid 11   and name HN  ))
   (( segid A    and resid 11   and name HG1 ))
      3.000     1.100     1.100 peak   608 spectrum    1 weight  0.10000E+01 volume  0.30359E-02 ppm1      8.310 ppm2      2.588 CV     1
 OR {  608}
   (( segid B    and resid 11   and name HN  ))
   (( segid B    and resid 11   and name HG1 ))
 ASSI {  610}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 42   and name HG1 ))
      2.500     2.500     3.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.23550E-02 ppm1      9.093 ppm2      2.638 CV     1
 OR {  610}
   (( segid A    and resid 45   and name HN  ))
   (( segid A    and resid 42   and name HG1 ))
 OR {  610}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 42   and name HG2 ))
 ASSI {  613}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.10078E-01 ppm1      8.339 ppm2      2.647 CV     1
 OR {  613}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 15   and name HB1 ))
 ASSI {  614}
   (( segid A    and resid 42   and name HE22))
   (( segid A    and resid 42   and name HG1 ))
      3.900     1.900     1.900 peak   614 spectrum    1 weight  0.10000E+01 volume  0.10888E-02 ppm1      7.703 ppm2      2.652 CV     1
 OR {  614}
   (( segid A    and resid 42   and name HE22))
   (( segid A    and resid 42   and name HG2 ))
 OR {  614}
   (( segid B    and resid 42   and name HE22))
   (( segid B    and resid 42   and name HG1 ))
 OR {  614}
   (( segid B    and resid 42   and name HE22))
   (( segid B    and resid 42   and name HG2 ))
 ASSI {  615}
   (( segid B    and resid 42   and name HE21))
   (( segid B    and resid 42   and name HG1 ))
      3.200     1.300     1.300 peak   615 spectrum    1 weight  0.10000E+01 volume  0.11552E-02 ppm1      7.051 ppm2      2.653 CV     1
 OR {  615}
   (( segid B    and resid 42   and name HE21))
   (( segid B    and resid 42   and name HG2 ))
 OR {  615}
   (( segid A    and resid 42   and name HE21))
   (( segid A    and resid 42   and name HG1 ))
 OR {  615}
   (( segid A    and resid 42   and name HE21))
   (( segid A    and resid 42   and name HG2 ))
 ASSI {  616}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 19   and name HB1 ))
      3.600     1.600     1.600 peak   616 spectrum    1 weight  0.10000E+01 volume  0.14296E-02 ppm1      9.417 ppm2      2.660 CV     1
 OR {  616}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 19   and name HB1 ))
 ASSI {  617}
   (( segid A    and resid 20   and name HN  ))
   (( segid A    and resid 19   and name HB1 ))
      3.800     1.800     1.800 peak   617 spectrum    1 weight  0.10000E+01 volume  0.66916E-03 ppm1      8.757 ppm2      2.662 CV     1
 OR {  617}
   (( segid B    and resid 20   and name HN  ))
   (( segid B    and resid 19   and name HB1 ))
 ASSI {  618}
   (( segid B    and resid 83   and name HN  ))
   (( segid B    and resid 82   and name HB1 ))
      3.600     1.600     1.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.81999E-03 ppm1      8.700 ppm2      2.664 CV     1
 OR {  618}
   (( segid A    and resid 83   and name HN  ))
   (( segid A    and resid 82   and name HB1 ))
 ASSI {  619}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 82   and name HB1 ))
      4.100     2.100     1.900 peak   619 spectrum    1 weight  0.10000E+01 volume  0.12202E-02 ppm1      7.027 ppm2      2.665 CV     1
 OR {  619}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 82   and name HB1 ))
 ASSI {  620}
   (( segid A    and resid 82   and name HN  ))
   (( segid A    and resid 82   and name HB1 ))
      3.000     1.100     1.100 peak   620 spectrum    1 weight  0.10000E+01 volume  0.35068E-02 ppm1      7.333 ppm2      2.667 CV     1
 OR {  620}
   (( segid B    and resid 82   and name HN  ))
   (( segid B    and resid 82   and name HB1 ))
 ASSI {  621}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 28   and name HB1 ))
      3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.83590E-03 ppm1      7.131 ppm2      2.670 CV     1
 OR {  621}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 28   and name HB1 ))
 ASSI {  622}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 28   and name HB1 ))
      2.600     0.900     0.900 peak   622 spectrum    1 weight  0.10000E+01 volume  0.46001E-02 ppm1      8.317 ppm2      2.672 CV     1
 OR {  622}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 28   and name HB1 ))
 ASSI {  623}
   (( segid B    and resid 65   and name HN  ))
   (( segid B    and resid 19   and name HB1 ))
      4.500     2.600     1.500 peak   623 spectrum    1 weight  0.10000E+01 volume  0.34232E-03 ppm1      9.586 ppm2      2.672 CV     1
 OR {  623}
   (( segid A    and resid 65   and name HN  ))
   (( segid A    and resid 19   and name HB1 ))
 ASSI {  624}
   (( segid B    and resid 11   and name HN  ))
   (( segid B    and resid 11   and name HG2 ))
      3.100     1.200     1.200 peak   624 spectrum    1 weight  0.10000E+01 volume  0.21442E-02 ppm1      8.308 ppm2      2.680 CV     1
 OR {  624}
   (( segid A    and resid 11   and name HN  ))
   (( segid A    and resid 11   and name HG2 ))
 ASSI {  625}
   (( segid B    and resid 8    and name HN  ))
   (( segid B    and resid 8    and name HB1 ))
      2.000     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.19933E-01 ppm1      8.268 ppm2      2.697 CV     1
 OR {  625}
   (( segid A    and resid 8    and name HN  ))
   (( segid A    and resid 8    and name HB1 ))
 ASSI {  626}
   (( segid B    and resid 9    and name HN  ))
   (( segid B    and resid 8    and name HB1 ))
      2.600     2.600     3.400 peak   626 spectrum    1 weight  0.10000E+01 volume  0.75496E-02 ppm1      8.106 ppm2      2.700 CV     1
 OR {  626}
   (( segid A    and resid 9    and name HN  ))
   (( segid A    and resid 8    and name HB1 ))
 ASSI {  630}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak   630 spectrum    1 weight  0.10000E+01 volume  0.60317E-02 ppm1      8.339 ppm2      2.717 CV     1
 OR {  630}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 15   and name HB2 ))
 ASSI {  631}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 36   and name HB1 ))
      3.000     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.21534E-02 ppm1      8.579 ppm2      2.738 CV     1
 OR {  631}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 36   and name HB1 ))
 ASSI {  632}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 36   and name HB1 ))
      3.100     1.200     1.200 peak   632 spectrum    1 weight  0.10000E+01 volume  0.15830E-02 ppm1      7.895 ppm2      2.744 CV     1
 OR {  632}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 36   and name HB1 ))
 ASSI {  633}
   (( segid B    and resid 87   and name HN  ))
   (( segid B    and resid 87   and name HB1 ))
      3.600     1.600     1.600 peak   633 spectrum    1 weight  0.10000E+01 volume  0.18643E-02 ppm1      8.924 ppm2      2.760 CV     1
 OR {  633}
   (( segid A    and resid 87   and name HN  ))
   (( segid A    and resid 87   and name HB1 ))
 ASSI {  634}
   (( segid B    and resid 87   and name HD21))
   (( segid B    and resid 87   and name HB1 ))
      3.500     1.500     1.500 peak   634 spectrum    1 weight  0.10000E+01 volume  0.15200E-02 ppm1      6.920 ppm2      2.762 CV     1
 OR {  634}
   (( segid A    and resid 87   and name HD21))
   (( segid A    and resid 87   and name HB1 ))
 ASSI {  635}
   (( segid A    and resid 87   and name HD22))
   (( segid A    and resid 87   and name HB1 ))
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.18253E-02 ppm1      7.367 ppm2      2.765 CV     1
 OR {  635}
   (( segid B    and resid 87   and name HD22))
   (( segid B    and resid 87   and name HB1 ))
 ASSI {  637}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 87   and name HB1 ))
      3.400     1.500     1.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1      7.934 ppm2      2.766 CV     1
 OR {  637}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 87   and name HB1 ))
 ASSI {  638}
   (( segid A    and resid 8    and name HN  ))
   (( segid A    and resid 8    and name HB2 ))
      2.200     0.600     0.600 peak   638 spectrum    1 weight  0.10000E+01 volume  0.16258E-01 ppm1      8.268 ppm2      2.794 CV     1
 OR {  638}
   (( segid B    and resid 8    and name HN  ))
   (( segid B    and resid 8    and name HB2 ))
 ASSI {  639}
   (( segid A    and resid 57   and name HN  ))
   (( segid A    and resid 56   and name HB1 ))
      4.400     2.400     1.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.58679E-03 ppm1      8.556 ppm2      2.831 CV     1
 OR {  639}
   (( segid B    and resid 57   and name HN  ))
   (( segid B    and resid 56   and name HB1 ))
 ASSI {  642}
   (( segid A    and resid 115  and name HN  ))
   (( segid A    and resid 114  and name HB2 ))
      3.700     1.700     1.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.10883E-02 ppm1      7.873 ppm2      2.842 CV     1
 OR {  642}
   (( segid B    and resid 115  and name HN  ))
   (( segid B    and resid 114  and name HB2 ))
 ASSI {  643}
   (( segid B    and resid 114  and name HN  ))
   (( segid B    and resid 114  and name HB2 ))
      2.900     1.000     1.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.34292E-02 ppm1      7.791 ppm2      2.844 CV     1
 OR {  643}
   (( segid A    and resid 114  and name HN  ))
   (( segid A    and resid 114  and name HB2 ))
 ASSI {  647}
   (( segid B    and resid 105  and name HN  ))
   (( segid B    and resid 105  and name HB2 ))
      3.700     1.700     1.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.72055E-03 ppm1      6.310 ppm2      2.876 CV     1
 OR {  647}
   (( segid A    and resid 105  and name HN  ))
   (( segid A    and resid 105  and name HB2 ))
 ASSI {  648}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 82   and name HB2 ))
      3.900     1.900     1.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.10853E-02 ppm1      7.025 ppm2      2.896 CV     1
 OR {  648}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 82   and name HB2 ))
 ASSI {  649}
   (( segid B    and resid 82   and name HN  ))
   (( segid B    and resid 82   and name HB2 ))
      2.600     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.36253E-02 ppm1      7.334 ppm2      2.900 CV     1
 OR {  649}
   (( segid A    and resid 82   and name HN  ))
   (( segid A    and resid 82   and name HB2 ))
 ASSI {  650}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 61   and name HB2 ))
      3.600     1.600     1.600 peak   650 spectrum    1 weight  0.10000E+01 volume  0.66755E-03 ppm1      9.673 ppm2      2.900 CV     1
 OR {  650}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 61   and name HB1 ))
 OR {  650}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 61   and name HB1 ))
 OR {  650}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 61   and name HB2 ))
 ASSI {  651}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 82   and name HB2 ))
      3.700     1.700     1.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.11806E-02 ppm1      8.307 ppm2      2.904 CV     1
 OR {  651}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 82   and name HB2 ))
 ASSI {  653}
   (( segid B    and resid 83   and name HN  ))
   (( segid B    and resid 82   and name HB2 ))
      3.600     1.700     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.71637E-03 ppm1      8.700 ppm2      2.905 CV     1
 OR {  653}
   (( segid A    and resid 83   and name HN  ))
   (( segid A    and resid 82   and name HB2 ))
 ASSI {  657}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 19   and name HB2 ))
      3.100     1.200     1.200 peak   657 spectrum    1 weight  0.10000E+01 volume  0.11222E-02 ppm1      9.410 ppm2      2.941 CV     1
 OR {  657}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 19   and name HB2 ))
 ASSI {  659}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 28   and name HB2 ))
      2.800     1.000     1.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.36285E-02 ppm1      8.317 ppm2      2.959 CV     1
 OR {  659}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 28   and name HB2 ))
 ASSI {  662}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 28   and name HB2 ))
      3.900     1.900     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.74562E-03 ppm1      7.121 ppm2      2.966 CV     1
 OR {  662}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 28   and name HB2 ))
 ASSI {  664}
   (( segid B    and resid 55   and name HN  ))
   (( segid B    and resid 62   and name HB1 ))
      3.900     1.900     1.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.49434E-03 ppm1     10.046 ppm2      2.979 CV     1
 OR {  664}
   (( segid A    and resid 55   and name HN  ))
   (( segid A    and resid 62   and name HB2 ))
 OR {  664}
   (( segid B    and resid 55   and name HN  ))
   (( segid B    and resid 62   and name HB2 ))
 OR {  664}
   (( segid A    and resid 55   and name HN  ))
   (( segid A    and resid 62   and name HB1 ))
 ASSI {  665}
   (( segid A    and resid 21   and name HN  ))
   (( segid A    and resid 62   and name HB1 ))
      4.400     2.500     1.600 peak   665 spectrum    1 weight  0.10000E+01 volume  0.37601E-03 ppm1      8.765 ppm2      2.980 CV     1
 OR {  665}
   (( segid B    and resid 21   and name HN  ))
   (( segid B    and resid 62   and name HB2 ))
 OR {  665}
   (( segid A    and resid 21   and name HN  ))
   (( segid A    and resid 62   and name HB2 ))
 OR {  665}
   (( segid B    and resid 21   and name HN  ))
   (( segid B    and resid 62   and name HB1 ))
 ASSI {  667}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.25891E-02 ppm1      7.894 ppm2      2.994 CV     1
 OR {  667}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 37   and name HA  ))
 ASSI {  668}
   (( segid A    and resid 38   and name HN  ))
   (( segid A    and resid 37   and name HA  ))
      3.600     1.600     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.79977E-03 ppm1      8.445 ppm2      2.997 CV     1
 OR {  668}
   (( segid B    and resid 38   and name HN  ))
   (( segid B    and resid 37   and name HA  ))
 ASSI {  669}
   (( segid A    and resid 65   and name HN  ))
   (( segid A    and resid 64   and name HB1 ))
      4.400     2.500     1.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.36926E-03 ppm1      9.589 ppm2      3.001 CV     1
 OR {  669}
   (( segid B    and resid 65   and name HN  ))
   (( segid B    and resid 64   and name HB2 ))
 OR {  669}
   (( segid A    and resid 65   and name HN  ))
   (( segid A    and resid 64   and name HB2 ))
 OR {  669}
   (( segid B    and resid 65   and name HN  ))
   (( segid B    and resid 64   and name HB1 ))
 ASSI {  670}
   (( segid B    and resid 40   and name HN  ))
   (( segid B    and resid 37   and name HA  ))
      3.900     1.900     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.41075E-03 ppm1      8.091 ppm2      3.004 CV     1
 OR {  670}
   (( segid A    and resid 40   and name HN  ))
   (( segid A    and resid 37   and name HA  ))
 ASSI {  672}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 98   and name HE1 ))
      4.200     2.200     1.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.73575E-03 ppm1      7.371 ppm2      3.010 CV     1
 OR {  672}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 98   and name HE1 ))
 OR {  672}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 98   and name HE2 ))
 OR {  672}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 98   and name HE2 ))
 ASSI {  674}
   (( segid A    and resid 53   and name HN  ))
   (( segid A    and resid 64   and name HB2 ))
      3.600     1.600     1.600 peak   674 spectrum    1 weight  0.10000E+01 volume  0.11219E-02 ppm1      7.976 ppm2      3.015 CV     1
 OR {  674}
   (( segid B    and resid 53   and name HN  ))
   (( segid B    and resid 64   and name HB1 ))
 OR {  674}
   (( segid A    and resid 53   and name HN  ))
   (( segid A    and resid 64   and name HB1 ))
 ASSI {  675}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 21   and name HB2 ))
      3.700     1.800     1.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.48893E-03 ppm1      8.724 ppm2      3.033 CV     1
 OR {  675}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 21   and name HB2 ))
 ASSI {  678}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 21   and name HB2 ))
      3.300     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.48831E-03 ppm1      7.722 ppm2      3.056 CV     1
 OR {  678}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 21   and name HB2 ))
 ASSI {  683}
   (( segid A    and resid 21   and name HN  ))
   (( segid A    and resid 21   and name HB2 ))
      4.300     2.300     1.700 peak   683 spectrum    1 weight  0.10000E+01 volume  0.37410E-03 ppm1      8.767 ppm2      3.069 CV     1
 OR {  683}
   (( segid B    and resid 21   and name HN  ))
   (( segid B    and resid 21   and name HB2 ))
 ASSI {  685}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 87   and name HB2 ))
      2.600     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.21673E-02 ppm1      7.933 ppm2      3.078 CV     1
 OR {  685}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 87   and name HB2 ))
 ASSI {  686}
   (( segid A    and resid 87   and name HD22))
   (( segid A    and resid 87   and name HB2 ))
      3.600     1.600     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.19473E-02 ppm1      7.365 ppm2      3.079 CV     1
 OR {  686}
   (( segid B    and resid 87   and name HD22))
   (( segid B    and resid 87   and name HB2 ))
 ASSI {  687}
   (( segid B    and resid 87   and name HD21))
   (( segid B    and resid 87   and name HB2 ))
      2.700     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.17698E-02 ppm1      6.918 ppm2      3.080 CV     1
 OR {  687}
   (( segid A    and resid 87   and name HD21))
   (( segid A    and resid 87   and name HB2 ))
 ASSI {  688}
   (( segid A    and resid 87   and name HN  ))
   (( segid A    and resid 87   and name HB2 ))
      2.900     1.000     1.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.20765E-02 ppm1      8.924 ppm2      3.081 CV     1
 OR {  688}
   (( segid B    and resid 87   and name HN  ))
   (( segid B    and resid 87   and name HB2 ))
 ASSI {  689}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 101  and name HB1 ))
      4.100     2.100     1.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.57312E-03 ppm1      9.582 ppm2      3.085 CV     1
 OR {  689}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 101  and name HB1 ))
 ASSI {  690}
   (( segid B    and resid 40   and name HN  ))
   (( segid B    and resid 36   and name HB2 ))
      3.400     3.400     2.600 peak   690 spectrum    1 weight  0.10000E+01 volume  0.35975E-03 ppm1      8.087 ppm2      3.088 CV     1
 OR {  690}
   (( segid A    and resid 40   and name HN  ))
   (( segid A    and resid 36   and name HB2 ))
 ASSI {  691}
   (( segid B    and resid 102  and name HN  ))
   (( segid B    and resid 101  and name HB1 ))
      3.800     1.800     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.74885E-03 ppm1      8.518 ppm2      3.088 CV     1
 OR {  691}
   (( segid A    and resid 102  and name HN  ))
   (( segid A    and resid 101  and name HB1 ))
 ASSI {  692}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 36   and name HB2 ))
      3.400     1.400     1.400 peak   692 spectrum    1 weight  0.10000E+01 volume  0.17887E-02 ppm1      7.897 ppm2      3.092 CV     1
 OR {  692}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 36   and name HB2 ))
 ASSI {  693}
   (( segid A    and resid 52   and name HN  ))
   (( segid A    and resid 101  and name HB1 ))
      3.800     1.800     1.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.86737E-03 ppm1      9.079 ppm2      3.094 CV     1
 OR {  693}
   (( segid B    and resid 52   and name HN  ))
   (( segid B    and resid 101  and name HB1 ))
 ASSI {  696}
   (( segid B    and resid 103  and name HN  ))
   (( segid B    and resid 101  and name HB1 ))
      3.600     1.600     1.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.80880E-03 ppm1      8.075 ppm2      3.096 CV     1
 OR {  696}
   (( segid A    and resid 103  and name HN  ))
   (( segid A    and resid 101  and name HB1 ))
 ASSI {  699}
   (( segid B    and resid 105  and name HN  ))
   (( segid B    and resid 104  and name HB1 ))
      4.200     2.200     1.800 peak   699 spectrum    1 weight  0.10000E+01 volume  0.70386E-03 ppm1      6.319 ppm2      3.108 CV     1
 OR {  699}
   (( segid A    and resid 105  and name HN  ))
   (( segid A    and resid 104  and name HB1 ))
 ASSI {  701}
   (( segid A    and resid 104  and name HN  ))
   (( segid A    and resid 104  and name HB1 ))
      3.000     1.100     1.100 peak   701 spectrum    1 weight  0.10000E+01 volume  0.21779E-02 ppm1      8.442 ppm2      3.123 CV     1
 OR {  701}
   (( segid B    and resid 104  and name HN  ))
   (( segid B    and resid 104  and name HB1 ))
 ASSI {  704}
   (( segid A    and resid 53   and name HN  ))
   (( segid A    and resid 104  and name HB1 ))
      3.900     1.900     1.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.69058E-03 ppm1      7.976 ppm2      3.130 CV     1
 OR {  704}
   (( segid B    and resid 53   and name HN  ))
   (( segid B    and resid 104  and name HB1 ))
 ASSI {  706}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 44   and name HB1 ))
      3.300     3.300     2.700 peak   706 spectrum    1 weight  0.10000E+01 volume  0.48754E-03 ppm1      7.276 ppm2      3.179 CV     1
 OR {  706}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 44   and name HB1 ))
 ASSI {  709}
   (( segid A    and resid 22   and name HE  ))
   (( segid A    and resid 22   and name HD1 ))
      2.800     1.000     1.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.21420E-02 ppm1      7.270 ppm2      3.200 CV     1
 OR {  709}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 22   and name HD2 ))
 OR {  709}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 22   and name HD1 ))
 OR {  709}
   (( segid A    and resid 22   and name HE  ))
   (( segid A    and resid 22   and name HD2 ))
 ASSI {  711}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 68   and name HB1 ))
      2.700     0.900     0.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.23312E-02 ppm1      7.413 ppm2      3.204 CV     1
 OR {  711}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 68   and name HB1 ))
 ASSI {  712}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 68   and name HB1 ))
      2.400     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.48741E-02 ppm1      9.456 ppm2      3.206 CV     1
 OR {  712}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 68   and name HB1 ))
 ASSI {  713}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.41605E-02 ppm1      7.754 ppm2      3.210 CV     1
 OR {  713}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 33   and name HB2 ))
 ASSI {  714}
   (( segid A    and resid 30   and name HN  ))
   (( segid A    and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.87174E-03 ppm1      9.307 ppm2      3.211 CV     1
 OR {  714}
   (( segid B    and resid 30   and name HN  ))
   (( segid B    and resid 33   and name HB2 ))
 ASSI {  715}
   (( segid B    and resid 103  and name HN  ))
   (( segid B    and resid 101  and name HB2 ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.12503E-02 ppm1      8.078 ppm2      3.213 CV     1
 OR {  715}
   (( segid A    and resid 103  and name HN  ))
   (( segid A    and resid 101  and name HB2 ))
 ASSI {  716}
   (( segid A    and resid 52   and name HN  ))
   (( segid A    and resid 101  and name HB2 ))
      3.800     1.800     1.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.72899E-03 ppm1      9.081 ppm2      3.214 CV     1
 OR {  716}
   (( segid B    and resid 52   and name HN  ))
   (( segid B    and resid 101  and name HB2 ))
 ASSI {  719}
   (( segid B    and resid 102  and name HN  ))
   (( segid B    and resid 101  and name HB2 ))
      3.200     1.200     1.200 peak   719 spectrum    1 weight  0.10000E+01 volume  0.14747E-02 ppm1      8.527 ppm2      3.219 CV     1
 OR {  719}
   (( segid A    and resid 102  and name HN  ))
   (( segid A    and resid 101  and name HB2 ))
 ASSI {  720}
   (( segid A    and resid 44   and name HN  ))
   (( segid A    and resid 44   and name HB1 ))
      2.900     1.100     1.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.24340E-02 ppm1      8.225 ppm2      3.220 CV     1
 OR {  720}
   (( segid B    and resid 44   and name HN  ))
   (( segid B    and resid 44   and name HB1 ))
 ASSI {  721}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 101  and name HB2 ))
      3.700     1.700     1.700 peak   721 spectrum    1 weight  0.10000E+01 volume  0.62322E-03 ppm1      9.586 ppm2      3.221 CV     1
 OR {  721}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 101  and name HB2 ))
 ASSI {  723}
   (( segid A    and resid 78   and name HN  ))
   (( segid A    and resid 78   and name HB1 ))
      2.900     1.000     1.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.48965E-02 ppm1      7.158 ppm2      3.239 CV     1
 OR {  723}
   (( segid B    and resid 78   and name HN  ))
   (( segid B    and resid 78   and name HB1 ))
 ASSI {  724}
   (( segid B    and resid 125  and name HN  ))
   (( segid B    and resid 124  and name HD1 ))
      2.800     2.800     3.200 peak   724 spectrum    1 weight  0.10000E+01 volume  0.11574E-02 ppm1      7.991 ppm2      3.241 CV     1
 OR {  724}
   (( segid A    and resid 125  and name HN  ))
   (( segid A    and resid 124  and name HD1 ))
 OR {  724}
   (( segid B    and resid 125  and name HN  ))
   (( segid B    and resid 124  and name HD2 ))
 OR {  724}
   (( segid A    and resid 125  and name HN  ))
   (( segid A    and resid 124  and name HD2 ))
 ASSI {  725}
   (( segid A    and resid 79   and name HN  ))
   (( segid A    and resid 78   and name HB1 ))
      3.200     1.300     1.300 peak   725 spectrum    1 weight  0.10000E+01 volume  0.11495E-02 ppm1      8.570 ppm2      3.242 CV     1
 OR {  725}
   (( segid B    and resid 79   and name HN  ))
   (( segid B    and resid 78   and name HB1 ))
 ASSI {  728}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 45   and name HB1 ))
      3.500     1.500     1.500 peak   728 spectrum    1 weight  0.10000E+01 volume  0.79695E-03 ppm1      7.284 ppm2      3.260 CV     1
 OR {  728}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 45   and name HB1 ))
 OR {  728}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 45   and name HB2 ))
 OR {  728}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 45   and name HB2 ))
 ASSI {  729}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 47   and name HD1 ))
      3.600     1.600     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.18044E-02 ppm1      7.174 ppm2      3.268 CV     1
 OR {  729}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 47   and name HD2 ))
 OR {  729}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 47   and name HD2 ))
 OR {  729}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 47   and name HD1 ))
 ASSI {  731}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 45   and name HB1 ))
      3.100     1.200     1.200 peak   731 spectrum    1 weight  0.10000E+01 volume  0.64033E-03 ppm1      9.006 ppm2      3.274 CV     1
 OR {  731}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 45   and name HB1 ))
 OR {  731}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 45   and name HB2 ))
 ASSI {  735}
   (( segid B    and resid 44   and name HN  ))
   (( segid B    and resid 45   and name HB2 ))
      4.200     2.200     1.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.98451E-03 ppm1      8.198 ppm2      3.293 CV     1
 OR {  735}
   (( segid A    and resid 44   and name HN  ))
   (( segid A    and resid 45   and name HB2 ))
 OR {  735}
   (( segid B    and resid 44   and name HN  ))
   (( segid B    and resid 45   and name HB1 ))
 ASSI {  736}
   (( segid A    and resid 52   and name HN  ))
   (( segid A    and resid 104  and name HB2 ))
      4.300     2.400     1.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.43014E-03 ppm1      9.092 ppm2      3.339 CV     1
 OR {  736}
   (( segid B    and resid 52   and name HN  ))
   (( segid B    and resid 104  and name HB2 ))
 ASSI {  737}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 44   and name HB2 ))
      3.100     3.100     2.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.69082E-03 ppm1      7.284 ppm2      3.345 CV     1
 OR {  737}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 44   and name HB2 ))
 ASSI {  738}
   (( segid B    and resid 105  and name HN  ))
   (( segid B    and resid 104  and name HB2 ))
      4.200     2.200     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.55769E-03 ppm1      6.320 ppm2      3.359 CV     1
 OR {  738}
   (( segid A    and resid 105  and name HN  ))
   (( segid A    and resid 104  and name HB2 ))
 ASSI {  739}
   (( segid A    and resid 44   and name HN  ))
   (( segid A    and resid 44   and name HB2 ))
      2.900     1.000     1.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.22166E-02 ppm1      8.213 ppm2      3.360 CV     1
 OR {  739}
   (( segid B    and resid 44   and name HN  ))
   (( segid B    and resid 44   and name HB2 ))
 ASSI {  740}
   (( segid A    and resid 45   and name HN  ))
   (( segid A    and resid 44   and name HB2 ))
      3.400     1.400     1.400 peak   740 spectrum    1 weight  0.10000E+01 volume  0.29777E-02 ppm1      9.094 ppm2      3.362 CV     1
 OR {  740}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 44   and name HB2 ))
 ASSI {  742}
   (( segid A    and resid 104  and name HN  ))
   (( segid A    and resid 104  and name HB2 ))
      3.000     1.100     1.100 peak   742 spectrum    1 weight  0.10000E+01 volume  0.24488E-02 ppm1      8.443 ppm2      3.371 CV     1
 OR {  742}
   (( segid B    and resid 104  and name HN  ))
   (( segid B    and resid 104  and name HB2 ))
 ASSI {  743}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 68   and name HB2 ))
      3.900     1.900     1.900 peak   743 spectrum    1 weight  0.10000E+01 volume  0.21761E-02 ppm1      7.412 ppm2      3.379 CV     1
 OR {  743}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 68   and name HB2 ))
 ASSI {  744}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 68   and name HB2 ))
      2.400     0.700     0.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.55424E-02 ppm1      9.457 ppm2      3.381 CV     1
 OR {  744}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 68   and name HB2 ))
 ASSI {  745}
   (( segid B    and resid 75   and name HN  ))
   (( segid B    and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.91511E-03 ppm1      7.654 ppm2      3.431 CV     1
 OR {  745}
   (( segid A    and resid 75   and name HN  ))
   (( segid A    and resid 72   and name HA  ))
 ASSI {  746}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 72   and name HA  ))
      3.800     1.800     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.13017E-02 ppm1      7.413 ppm2      3.433 CV     1
 OR {  746}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 72   and name HA  ))
 ASSI {  747}
   (( segid A    and resid 73   and name HN  ))
   (( segid A    and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   747 spectrum    1 weight  0.10000E+01 volume  0.22684E-02 ppm1      8.260 ppm2      3.435 CV     1
 OR {  747}
   (( segid B    and resid 73   and name HN  ))
   (( segid B    and resid 72   and name HA  ))
 ASSI {  750}
   (( segid A    and resid 26   and name HN  ))
   (( segid A    and resid 85   and name HB1 ))
      3.700     1.700     1.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.12122E-02 ppm1      8.399 ppm2      3.484 CV     1
 OR {  750}
   (( segid B    and resid 26   and name HN  ))
   (( segid B    and resid 85   and name HB1 ))
 ASSI {  751}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 85   and name HB1 ))
      3.100     1.200     1.200 peak   751 spectrum    1 weight  0.10000E+01 volume  0.29781E-02 ppm1      9.310 ppm2      3.486 CV     1
 OR {  751}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 85   and name HB1 ))
 ASSI {  752}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 85   and name HB1 ))
      3.400     1.500     1.500 peak   752 spectrum    1 weight  0.10000E+01 volume  0.11988E-02 ppm1      8.304 ppm2      3.488 CV     1
 OR {  752}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 85   and name HB1 ))
 ASSI {  753}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 59   and name HA1 ))
      4.100     2.100     1.900 peak   753 spectrum    1 weight  0.10000E+01 volume  0.60084E-03 ppm1      8.444 ppm2      3.488 CV     1
 OR {  753}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 59   and name HA1 ))
 ASSI {  754}
   (( segid B    and resid 24   and name HN  ))
   (( segid B    and resid 85   and name HB1 ))
      4.100     2.100     1.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.58584E-03 ppm1      8.826 ppm2      3.495 CV     1
 OR {  754}
   (( segid A    and resid 24   and name HN  ))
   (( segid A    and resid 85   and name HB1 ))
 ASSI {  755}
   (( segid A    and resid 59   and name HN  ))
   (( segid A    and resid 59   and name HA1 ))
      3.000     1.100     1.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.25612E-02 ppm1      6.498 ppm2      3.519 CV     1
 OR {  755}
   (( segid B    and resid 59   and name HN  ))
   (( segid B    and resid 59   and name HA1 ))
 ASSI {  756}
   (( segid B    and resid 60   and name HN  ))
   (( segid B    and resid 59   and name HA1 ))
      3.300     1.400     1.400 peak   756 spectrum    1 weight  0.10000E+01 volume  0.98056E-03 ppm1      7.765 ppm2      3.519 CV     1
 OR {  756}
   (( segid A    and resid 60   and name HN  ))
   (( segid A    and resid 59   and name HA1 ))
 ASSI {  761}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 41   and name HA  ))
      3.300     1.400     1.400 peak   761 spectrum    1 weight  0.10000E+01 volume  0.13815E-02 ppm1      9.092 ppm2      3.546 CV     1
 OR {  761}
   (( segid A    and resid 45   and name HN  ))
   (( segid A    and resid 41   and name HA  ))
 ASSI {  762}
   (( segid B    and resid 41   and name HN  ))
   (( segid B    and resid 41   and name HB1 ))
      2.900     1.100     1.100 peak   762 spectrum    1 weight  0.10000E+01 volume  0.20244E-02 ppm1      7.807 ppm2      3.547 CV     1
 OR {  762}
   (( segid A    and resid 41   and name HN  ))
   (( segid A    and resid 41   and name HB1 ))
 OR {  762}
   (( segid B    and resid 41   and name HN  ))
   (( segid B    and resid 41   and name HB2 ))
 OR {  762}
   (( segid A    and resid 41   and name HN  ))
   (( segid A    and resid 41   and name HB2 ))
 ASSI {  763}
   (( segid A    and resid 42   and name HN  ))
   (( segid A    and resid 41   and name HA  ))
      3.800     1.800     1.800 peak   763 spectrum    1 weight  0.10000E+01 volume  0.55145E-03 ppm1      8.734 ppm2      3.547 CV     1
 OR {  763}
   (( segid B    and resid 42   and name HN  ))
   (( segid B    and resid 41   and name HA  ))
 OR {  763}
   (( segid A    and resid 42   and name HN  ))
   (( segid A    and resid 41   and name HB1 ))
 OR {  763}
   (( segid B    and resid 42   and name HN  ))
   (( segid B    and resid 41   and name HB1 ))
 OR {  763}
   (( segid A    and resid 42   and name HN  ))
   (( segid A    and resid 41   and name HB2 ))
 ASSI {  764}
   (( segid B    and resid 44   and name HN  ))
   (( segid B    and resid 41   and name HA  ))
      3.400     1.400     1.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.91751E-03 ppm1      8.208 ppm2      3.549 CV     1
 OR {  764}
   (( segid A    and resid 44   and name HN  ))
   (( segid A    and resid 41   and name HA  ))
 ASSI {  765}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 38   and name HA  ))
      3.800     1.800     1.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.53861E-03 ppm1      8.809 ppm2      3.550 CV     1
 OR {  765}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 38   and name HA  ))
 ASSI {  769}
   (( segid A    and resid 57   and name HN  ))
   (( segid A    and resid 57   and name HB1 ))
      3.300     1.400     1.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.12890E-02 ppm1      8.557 ppm2      3.660 CV     1
 OR {  769}
   (( segid B    and resid 57   and name HN  ))
   (( segid B    and resid 57   and name HB1 ))
 OR {  769}
   (( segid A    and resid 57   and name HN  ))
   (( segid A    and resid 57   and name HB2 ))
 OR {  769}
   (( segid B    and resid 57   and name HN  ))
   (( segid B    and resid 57   and name HB2 ))
 ASSI {  770}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 57   and name HB1 ))
      4.300     2.300     1.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.73515E-03 ppm1      9.290 ppm2      3.675 CV     1
 OR {  770}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 57   and name HB1 ))
 OR {  770}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 57   and name HB2 ))
 OR {  770}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 57   and name HB2 ))
 ASSI {  771}
   (( segid B    and resid 79   and name HN  ))
   (( segid B    and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.61532E-03 ppm1      8.569 ppm2      3.678 CV     1
 OR {  771}
   (( segid A    and resid 79   and name HN  ))
   (( segid A    and resid 75   and name HA  ))
 ASSI {  772}
   (( segid B    and resid 89   and name HN  ))
   (( segid B    and resid 88   and name HA  ))
      2.300     0.700     0.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.63668E-02 ppm1      9.604 ppm2      3.688 CV     1
 OR {  772}
   (( segid A    and resid 89   and name HN  ))
   (( segid A    and resid 88   and name HA  ))
 ASSI {  773}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 88   and name HA  ))
      2.300     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.51989E-02 ppm1      7.934 ppm2      3.691 CV     1
 OR {  773}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 88   and name HA  ))
 ASSI {  774}
   (( segid A    and resid 75   and name HN  ))
   (( segid A    and resid 75   and name HA  ))
      2.800     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.27492E-02 ppm1      7.653 ppm2      3.692 CV     1
 OR {  774}
   (( segid B    and resid 75   and name HN  ))
   (( segid B    and resid 75   and name HA  ))
 ASSI {  775}
   (( segid B    and resid 78   and name HN  ))
   (( segid B    and resid 75   and name HA  ))
      3.000     1.100     1.100 peak   775 spectrum    1 weight  0.10000E+01 volume  0.20907E-02 ppm1      7.160 ppm2      3.694 CV     1
 OR {  775}
   (( segid A    and resid 78   and name HN  ))
   (( segid A    and resid 75   and name HA  ))
 ASSI {  776}
   (( segid B    and resid 80   and name HE21))
   (( segid B    and resid 80   and name HA  ))
      3.600     1.600     1.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.58988E-03 ppm1      6.647 ppm2      3.695 CV     1
 OR {  776}
   (( segid A    and resid 80   and name HE21))
   (( segid A    and resid 80   and name HA  ))
 ASSI {  777}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 18   and name HB1 ))
      4.300     2.300     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.73031E-03 ppm1      9.405 ppm2      3.698 CV     1
 OR {  777}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 18   and name HB1 ))
 ASSI {  778}
   (( segid B    and resid 76   and name HN  ))
   (( segid B    and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.93773E-03 ppm1      8.499 ppm2      3.701 CV     1
 OR {  778}
   (( segid A    and resid 76   and name HN  ))
   (( segid A    and resid 75   and name HA  ))
 ASSI {  779}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.79408E-03 ppm1      9.030 ppm2      3.706 CV     1
 OR {  779}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 18   and name HB1 ))
 ASSI {  780}
   (( segid B    and resid 80   and name HE22))
   (( segid B    and resid 80   and name HA  ))
      4.100     2.100     1.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.70602E-03 ppm1      6.841 ppm2      3.706 CV     1
 OR {  780}
   (( segid A    and resid 80   and name HE22))
   (( segid A    and resid 80   and name HA  ))
 ASSI {  781}
   (( segid A    and resid 24   and name HN  ))
   (( segid A    and resid 23   and name HB1 ))
      3.000     1.100     1.100 peak   781 spectrum    1 weight  0.10000E+01 volume  0.16762E-02 ppm1      8.831 ppm2      3.707 CV     1
 OR {  781}
   (( segid B    and resid 24   and name HN  ))
   (( segid B    and resid 23   and name HB1 ))
 ASSI {  782}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 23   and name HB1 ))
      3.500     1.500     1.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.78517E-03 ppm1      9.671 ppm2      3.708 CV     1
 OR {  782}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 23   and name HB1 ))
 ASSI {  784}
   (( segid A    and resid 80   and name HN  ))
   (( segid A    and resid 80   and name HA  ))
      2.600     0.800     0.800 peak   784 spectrum    1 weight  0.10000E+01 volume  0.39410E-02 ppm1      8.442 ppm2      3.718 CV     1
 OR {  784}
   (( segid B    and resid 80   and name HN  ))
   (( segid B    and resid 80   and name HA  ))
 ASSI {  785}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   785 spectrum    1 weight  0.10000E+01 volume  0.20866E-02 ppm1      7.029 ppm2      3.718 CV     1
 OR {  785}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 80   and name HA  ))
 ASSI {  786}
   (( segid B    and resid 26   and name HN  ))
   (( segid B    and resid 85   and name HB2 ))
      3.700     1.700     1.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1      8.400 ppm2      3.785 CV     1
 OR {  786}
   (( segid A    and resid 26   and name HN  ))
   (( segid A    and resid 85   and name HB2 ))
 ASSI {  787}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 85   and name HB2 ))
      3.400     1.400     1.400 peak   787 spectrum    1 weight  0.10000E+01 volume  0.15209E-02 ppm1      8.304 ppm2      3.786 CV     1
 OR {  787}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 85   and name HB2 ))
 ASSI {  788}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 85   and name HB2 ))
      2.700     0.900     0.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.24297E-02 ppm1      9.306 ppm2      3.790 CV     1
 OR {  788}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 85   and name HB2 ))
 ASSI {  789}
   (( segid A    and resid 43   and name HN  ))
   (( segid A    and resid 42   and name HA  ))
      3.800     1.800     1.800 peak   789 spectrum    1 weight  0.10000E+01 volume  0.58996E-03 ppm1      6.931 ppm2      3.792 CV     1
 OR {  789}
   (( segid B    and resid 43   and name HN  ))
   (( segid B    and resid 42   and name HA  ))
 ASSI {  790}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   790 spectrum    1 weight  0.10000E+01 volume  0.10289E-02 ppm1      9.093 ppm2      3.801 CV     1
 OR {  790}
   (( segid A    and resid 45   and name HN  ))
   (( segid A    and resid 42   and name HA  ))
 ASSI {  791}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 85   and name HB2 ))
      3.200     1.300     1.300 peak   791 spectrum    1 weight  0.10000E+01 volume  0.96806E-03 ppm1      7.932 ppm2      3.802 CV     1
 OR {  791}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 85   and name HB2 ))
 ASSI {  793}
   (( segid B    and resid 42   and name HN  ))
   (( segid B    and resid 42   and name HA  ))
      3.400     1.500     1.500 peak   793 spectrum    1 weight  0.10000E+01 volume  0.89890E-03 ppm1      8.738 ppm2      3.807 CV     1
 OR {  793}
   (( segid A    and resid 42   and name HN  ))
   (( segid A    and resid 42   and name HA  ))
 ASSI {  794}
   (( segid B    and resid 24   and name HN  ))
   (( segid B    and resid 23   and name HB2 ))
      3.100     1.200     1.200 peak   794 spectrum    1 weight  0.10000E+01 volume  0.22341E-02 ppm1      8.830 ppm2      3.808 CV     1
 OR {  794}
   (( segid A    and resid 24   and name HN  ))
   (( segid A    and resid 23   and name HB2 ))
 ASSI {  795}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 42   and name HA  ))
      3.400     1.500     1.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.86097E-03 ppm1      7.283 ppm2      3.809 CV     1
 OR {  795}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 42   and name HA  ))
 ASSI {  796}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 23   and name HB2 ))
      3.700     1.700     1.700 peak   796 spectrum    1 weight  0.10000E+01 volume  0.56429E-03 ppm1      9.671 ppm2      3.826 CV     1
 OR {  796}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 23   and name HB2 ))
 ASSI {  798}
   (( segid A    and resid 59   and name HN  ))
   (( segid A    and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.28302E-02 ppm1      6.498 ppm2      3.845 CV     1
 OR {  798}
   (( segid B    and resid 59   and name HN  ))
   (( segid B    and resid 58   and name HA  ))
 ASSI {  799}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 58   and name HA  ))
      2.600     0.800     0.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.39035E-02 ppm1      9.288 ppm2      3.846 CV     1
 OR {  799}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 58   and name HA  ))
 ASSI {  800}
   (( segid B    and resid 60   and name HN  ))
   (( segid B    and resid 58   and name HA  ))
      4.200     2.200     1.800 peak   800 spectrum    1 weight  0.10000E+01 volume  0.59887E-03 ppm1      7.768 ppm2      3.846 CV     1
 OR {  800}
   (( segid A    and resid 60   and name HN  ))
   (( segid A    and resid 58   and name HA  ))
 ASSI {  801}
   (( segid A    and resid 94   and name HN  ))
   (( segid A    and resid 18   and name HB2 ))
      3.900     1.900     1.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.56947E-03 ppm1      8.713 ppm2      3.846 CV     1
 OR {  801}
   (( segid B    and resid 94   and name HN  ))
   (( segid B    and resid 18   and name HB2 ))
 ASSI {  802}
   (( segid B    and resid 119  and name HN  ))
   (( segid B    and resid 119  and name HA1 ))
      2.500     0.800     0.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.61424E-02 ppm1      7.859 ppm2      3.860 CV     1
 OR {  802}
   (( segid A    and resid 119  and name HN  ))
   (( segid A    and resid 119  and name HA1 ))
 ASSI {  803}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 18   and name HB2 ))
      3.100     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.19985E-02 ppm1      9.030 ppm2      3.863 CV     1
 OR {  803}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 18   and name HB2 ))
 ASSI {  804}
   (( segid B    and resid 120  and name HN  ))
   (( segid B    and resid 119  and name HA1 ))
      3.000     1.200     1.200 peak   804 spectrum    1 weight  0.10000E+01 volume  0.31554E-02 ppm1      7.719 ppm2      3.864 CV     1
 OR {  804}
   (( segid A    and resid 120  and name HN  ))
   (( segid A    and resid 119  and name HA1 ))
 ASSI {  805}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 18   and name HB2 ))
      4.300     2.300     1.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.46787E-03 ppm1      9.416 ppm2      3.870 CV     1
 OR {  805}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 18   and name HB2 ))
 ASSI {  811}
   (( segid B    and resid 123  and name HN  ))
   (( segid B    and resid 123  and name HB2 ))
      2.800     1.000     1.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.33146E-02 ppm1      8.297 ppm2      3.902 CV     1
 OR {  811}
   (( segid A    and resid 123  and name HN  ))
   (( segid A    and resid 123  and name HB2 ))
 OR {  811}
   (( segid B    and resid 123  and name HN  ))
   (( segid B    and resid 123  and name HB1 ))
 OR {  811}
   (( segid A    and resid 123  and name HN  ))
   (( segid A    and resid 123  and name HB1 ))
 ASSI {  813}
   (( segid B    and resid 124  and name HN  ))
   (( segid B    and resid 123  and name HB1 ))
      3.500     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.91134E-03 ppm1      8.347 ppm2      3.911 CV     1
 OR {  813}
   (( segid A    and resid 124  and name HN  ))
   (( segid A    and resid 123  and name HB1 ))
 OR {  813}
   (( segid B    and resid 124  and name HN  ))
   (( segid B    and resid 123  and name HB2 ))
 OR {  813}
   (( segid A    and resid 124  and name HN  ))
   (( segid A    and resid 123  and name HB2 ))
 ASSI {  814}
   (( segid A    and resid 115  and name HN  ))
   (( segid A    and resid 115  and name HB2 ))
      3.100     1.200     1.200 peak   814 spectrum    1 weight  0.10000E+01 volume  0.20999E-02 ppm1      7.873 ppm2      3.913 CV     1
 OR {  814}
   (( segid B    and resid 115  and name HN  ))
   (( segid B    and resid 115  and name HB2 ))
 OR {  814}
   (( segid B    and resid 115  and name HN  ))
   (( segid B    and resid 115  and name HB1 ))
 OR {  814}
   (( segid A    and resid 115  and name HN  ))
   (( segid A    and resid 115  and name HB1 ))
 ASSI {  815}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 115  and name HB2 ))
      3.300     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.14130E-02 ppm1      8.052 ppm2      3.915 CV     1
 OR {  815}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 115  and name HB2 ))
 OR {  815}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 115  and name HB1 ))
 OR {  815}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 115  and name HB1 ))
 ASSI {  816}
   (( segid B    and resid 118  and name HN  ))
   (( segid B    and resid 115  and name HB1 ))
      3.100     1.200     1.200 peak   816 spectrum    1 weight  0.10000E+01 volume  0.16223E-02 ppm1      7.525 ppm2      3.920 CV     1
 OR {  816}
   (( segid A    and resid 118  and name HN  ))
   (( segid A    and resid 115  and name HB1 ))
 OR {  816}
   (( segid B    and resid 118  and name HN  ))
   (( segid B    and resid 115  and name HB2 ))
 OR {  816}
   (( segid A    and resid 118  and name HN  ))
   (( segid A    and resid 115  and name HB2 ))
 ASSI {  818}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 14   and name HB1 ))
      2.900     1.100     1.100 peak   818 spectrum    1 weight  0.10000E+01 volume  0.29952E-02 ppm1      8.338 ppm2      3.929 CV     1
 OR {  818}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 14   and name HB1 ))
 ASSI {  819}
   (( segid B    and resid 14   and name HN  ))
   (( segid B    and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   819 spectrum    1 weight  0.10000E+01 volume  0.22376E-02 ppm1      8.191 ppm2      3.930 CV     1
 OR {  819}
   (( segid A    and resid 14   and name HN  ))
   (( segid A    and resid 14   and name HB1 ))
 ASSI {  823}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 86   and name HB1 ))
      3.700     1.700     1.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.86845E-03 ppm1      7.932 ppm2      3.942 CV     1
 OR {  823}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 86   and name HB1 ))
 ASSI {  824}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 86   and name HB1 ))
      3.200     1.300     1.300 peak   824 spectrum    1 weight  0.10000E+01 volume  0.11764E-02 ppm1      9.313 ppm2      3.943 CV     1
 OR {  824}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 86   and name HB1 ))
 ASSI {  825}
   (( segid A    and resid 87   and name HN  ))
   (( segid A    and resid 86   and name HB1 ))
      2.700     0.900     0.900 peak   825 spectrum    1 weight  0.10000E+01 volume  0.31724E-02 ppm1      8.925 ppm2      3.943 CV     1
 OR {  825}
   (( segid B    and resid 87   and name HN  ))
   (( segid B    and resid 86   and name HB1 ))
 ASSI {  826}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 117  and name HB2 ))
      3.000     1.100     1.100 peak   826 spectrum    1 weight  0.10000E+01 volume  0.28615E-02 ppm1      8.019 ppm2      3.949 CV     1
 OR {  826}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 117  and name HB2 ))
 OR {  826}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 117  and name HB1 ))
 OR {  826}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 117  and name HB1 ))
 ASSI {  828}
   (( segid B    and resid 99   and name HN  ))
   (( segid B    and resid 99   and name HA  ))
      2.700     0.900     0.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.25807E-02 ppm1      8.511 ppm2      3.955 CV     1
 OR {  828}
   (( segid A    and resid 99   and name HN  ))
   (( segid A    and resid 99   and name HA  ))
 ASSI {  829}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 99   and name HA  ))
      3.100     1.200     1.200 peak   829 spectrum    1 weight  0.10000E+01 volume  0.67987E-03 ppm1      9.570 ppm2      3.959 CV     1
 OR {  829}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 99   and name HA  ))
 ASSI {  832}
   (( segid B    and resid 95   and name HN  ))
   (( segid B    and resid 95   and name HB2 ))
      2.400     0.700     0.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.88155E-02 ppm1      8.771 ppm2      3.965 CV     1
 OR {  832}
   (( segid A    and resid 95   and name HN  ))
   (( segid A    and resid 95   and name HB2 ))
 OR {  832}
   (( segid A    and resid 95   and name HN  ))
   (( segid A    and resid 95   and name HB1 ))
 OR {  832}
   (( segid B    and resid 95   and name HN  ))
   (( segid B    and resid 95   and name HB1 ))
 ASSI {  833}
   (( segid A    and resid 118  and name HN  ))
   (( segid A    and resid 117  and name HB2 ))
      3.400     1.400     1.400 peak   833 spectrum    1 weight  0.10000E+01 volume  0.12428E-02 ppm1      7.526 ppm2      3.966 CV     1
 OR {  833}
   (( segid B    and resid 118  and name HN  ))
   (( segid B    and resid 117  and name HB2 ))
 OR {  833}
   (( segid B    and resid 118  and name HN  ))
   (( segid B    and resid 117  and name HB1 ))
 OR {  833}
   (( segid A    and resid 118  and name HN  ))
   (( segid A    and resid 117  and name HB1 ))
 ASSI {  841}
   (( segid A    and resid 77   and name HN  ))
   (( segid A    and resid 74   and name HA  ))
      2.400     2.400     3.600 peak   841 spectrum    1 weight  0.10000E+01 volume  0.68777E-02 ppm1      7.879 ppm2      3.980 CV     1
 OR {  841}
   (( segid B    and resid 77   and name HN  ))
   (( segid B    and resid 74   and name HA  ))
 ASSI {  842}
   (( segid A    and resid 78   and name HN  ))
   (( segid A    and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   842 spectrum    1 weight  0.10000E+01 volume  0.22921E-02 ppm1      7.158 ppm2      3.981 CV     1
 OR {  842}
   (( segid B    and resid 78   and name HN  ))
   (( segid B    and resid 74   and name HA  ))
 ASSI {  843}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 14   and name HB2 ))
      2.900     1.000     1.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.31366E-02 ppm1      8.338 ppm2      3.983 CV     1
 OR {  843}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 14   and name HB2 ))
 ASSI {  844}
   (( segid A    and resid 17   and name HN  ))
   (( segid A    and resid 67   and name HA2 ))
      3.700     1.700     1.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.75268E-03 ppm1      9.121 ppm2      3.984 CV     1
 OR {  844}
   (( segid B    and resid 17   and name HN  ))
   (( segid B    and resid 67   and name HA2 ))
 ASSI {  845}
   (( segid B    and resid 67   and name HN  ))
   (( segid B    and resid 67   and name HA2 ))
      3.000     1.100     1.100 peak   845 spectrum    1 weight  0.10000E+01 volume  0.17489E-02 ppm1      8.588 ppm2      3.985 CV     1
 OR {  845}
   (( segid A    and resid 67   and name HN  ))
   (( segid A    and resid 67   and name HA2 ))
 ASSI {  846}
   (( segid A    and resid 14   and name HN  ))
   (( segid A    and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak   846 spectrum    1 weight  0.10000E+01 volume  0.24875E-02 ppm1      8.193 ppm2      3.985 CV     1
 OR {  846}
   (( segid B    and resid 14   and name HN  ))
   (( segid B    and resid 14   and name HB2 ))
 ASSI {  847}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 67   and name HA2 ))
      2.600     0.800     0.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.35418E-02 ppm1      9.457 ppm2      3.986 CV     1
 OR {  847}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 67   and name HA2 ))
 ASSI {  849}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 67   and name HA2 ))
      3.800     1.800     1.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.60317E-03 ppm1      8.784 ppm2      3.990 CV     1
 OR {  849}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 67   and name HA2 ))
 ASSI {  850}
   (( segid B    and resid 35   and name HN  ))
   (( segid B    and resid 31   and name HA  ))
      2.900     1.000     1.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.10882E-02 ppm1      8.602 ppm2      3.996 CV     1
 OR {  850}
   (( segid A    and resid 35   and name HN  ))
   (( segid A    and resid 31   and name HA  ))
 ASSI {  851}
   (( segid A    and resid 120  and name HN  ))
   (( segid A    and resid 119  and name HA2 ))
      3.000     1.100     1.100 peak   851 spectrum    1 weight  0.10000E+01 volume  0.25720E-02 ppm1      7.719 ppm2      3.998 CV     1
 OR {  851}
   (( segid B    and resid 120  and name HN  ))
   (( segid B    and resid 119  and name HA2 ))
 ASSI {  852}
   (( segid B    and resid 49   and name HE21))
   (( segid B    and resid 49   and name HA  ))
      3.600     1.700     1.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.84434E-03 ppm1      6.851 ppm2      3.999 CV     1
 OR {  852}
   (( segid A    and resid 49   and name HE21))
   (( segid A    and resid 49   and name HA  ))
 ASSI {  853}
   (( segid A    and resid 32   and name HN  ))
   (( segid A    and resid 32   and name HA  ))
      2.600     0.800     0.800 peak   853 spectrum    1 weight  0.10000E+01 volume  0.43364E-02 ppm1      8.203 ppm2      4.000 CV     1
 OR {  853}
   (( segid B    and resid 32   and name HN  ))
   (( segid B    and resid 32   and name HA  ))
 ASSI {  854}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 32   and name HA  ))
      2.800     2.800     3.200 peak   854 spectrum    1 weight  0.10000E+01 volume  0.13290E-02 ppm1      8.582 ppm2      4.000 CV     1
 OR {  854}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 32   and name HA  ))
 ASSI {  855}
   (( segid A    and resid 48   and name HN  ))
   (( segid A    and resid 49   and name HA  ))
      4.000     2.000     2.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.17088E-02 ppm1      8.170 ppm2      4.001 CV     1
 OR {  855}
   (( segid B    and resid 48   and name HN  ))
   (( segid B    and resid 49   and name HA  ))
 ASSI {  856}
   (( segid B    and resid 49   and name HN  ))
   (( segid B    and resid 49   and name HA  ))
      2.000     0.500     0.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.20183E-01 ppm1      7.550 ppm2      4.001 CV     1
 OR {  856}
   (( segid A    and resid 49   and name HN  ))
   (( segid A    and resid 49   and name HA  ))
 ASSI {  857}
   (( segid A    and resid 119  and name HN  ))
   (( segid A    and resid 119  and name HA2 ))
      2.600     0.800     0.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.46010E-02 ppm1      7.858 ppm2      4.002 CV     1
 OR {  857}
   (( segid B    and resid 119  and name HN  ))
   (( segid B    and resid 119  and name HA2 ))
 ASSI {  858}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.47272E-02 ppm1      8.997 ppm2      4.002 CV     1
 OR {  858}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 49   and name HA  ))
 ASSI {  859}
   (( segid A    and resid 76   and name HN  ))
   (( segid A    and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   859 spectrum    1 weight  0.10000E+01 volume  0.18964E-02 ppm1      8.499 ppm2      4.012 CV     1
 OR {  859}
   (( segid B    and resid 76   and name HN  ))
   (( segid B    and resid 73   and name HA  ))
 ASSI {  860}
   (( segid B    and resid 73   and name HN  ))
   (( segid B    and resid 73   and name HA  ))
      2.300     0.700     0.700 peak   860 spectrum    1 weight  0.10000E+01 volume  0.86695E-02 ppm1      8.260 ppm2      4.014 CV     1
 OR {  860}
   (( segid A    and resid 73   and name HN  ))
   (( segid A    and resid 73   and name HA  ))
 ASSI {  861}
   (( segid B    and resid 72   and name HN  ))
   (( segid B    and resid 73   and name HA  ))
      4.000     2.000     2.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.11061E-02 ppm1      8.355 ppm2      4.021 CV     1
 OR {  861}
   (( segid A    and resid 72   and name HN  ))
   (( segid A    and resid 73   and name HA  ))
 ASSI {  864}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   864 spectrum    1 weight  0.10000E+01 volume  0.19213E-02 ppm1      7.895 ppm2      4.023 CV     1
 OR {  864}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 34   and name HA  ))
 ASSI {  866}
   (( segid A    and resid 31   and name HN  ))
   (( segid A    and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   866 spectrum    1 weight  0.10000E+01 volume  0.14014E-02 ppm1      8.856 ppm2      4.028 CV     1
 OR {  866}
   (( segid B    and resid 31   and name HN  ))
   (( segid B    and resid 31   and name HA  ))
 ASSI {  867}
   (( segid B    and resid 35   and name HN  ))
   (( segid B    and resid 34   and name HA  ))
      3.200     1.200     1.200 peak   867 spectrum    1 weight  0.10000E+01 volume  0.14952E-02 ppm1      8.602 ppm2      4.032 CV     1
 OR {  867}
   (( segid A    and resid 35   and name HN  ))
   (( segid A    and resid 34   and name HA  ))
 ASSI {  868}
   (( segid A    and resid 114  and name HN  ))
   (( segid A    and resid 113  and name HA  ))
      2.500     0.800     0.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.58072E-02 ppm1      7.790 ppm2      4.036 CV     1
 OR {  868}
   (( segid B    and resid 114  and name HN  ))
   (( segid B    and resid 113  and name HA  ))
 ASSI {  869}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 35   and name HA  ))
      3.400     1.400     1.400 peak   869 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      8.581 ppm2      4.039 CV     1
 OR {  869}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 35   and name HA  ))
 ASSI {  870}
   (( segid A    and resid 38   and name HN  ))
   (( segid A    and resid 34   and name HA  ))
      3.200     1.300     1.300 peak   870 spectrum    1 weight  0.10000E+01 volume  0.19938E-02 ppm1      8.446 ppm2      4.039 CV     1
 OR {  870}
   (( segid B    and resid 38   and name HN  ))
   (( segid B    and resid 34   and name HA  ))
 ASSI {  871}
   (( segid B    and resid 113  and name HN  ))
   (( segid B    and resid 113  and name HA  ))
      2.800     1.000     1.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.28941E-02 ppm1      8.158 ppm2      4.039 CV     1
 OR {  871}
   (( segid A    and resid 113  and name HN  ))
   (( segid A    and resid 113  and name HA  ))
 ASSI {  872}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 39   and name HA  ))
      3.500     1.500     1.500 peak   872 spectrum    1 weight  0.10000E+01 volume  0.80228E-03 ppm1      8.800 ppm2      4.042 CV     1
 OR {  872}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 39   and name HA  ))
 ASSI {  874}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 113  and name HA  ))
      3.200     1.300     1.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.14581E-02 ppm1      8.060 ppm2      4.047 CV     1
 OR {  874}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 113  and name HA  ))
 ASSI {  875}
   (( segid A    and resid 115  and name HN  ))
   (( segid A    and resid 113  and name HA  ))
      3.400     1.500     1.500 peak   875 spectrum    1 weight  0.10000E+01 volume  0.11940E-02 ppm1      7.844 ppm2      4.048 CV     1
 OR {  875}
   (( segid B    and resid 115  and name HN  ))
   (( segid B    and resid 113  and name HA  ))
 ASSI {  877}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 90   and name HA  ))
      2.700     0.900     0.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.24988E-02 ppm1      8.728 ppm2      4.053 CV     1
 OR {  877}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 90   and name HA  ))
 ASSI {  878}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 90   and name HA  ))
      3.900     1.900     1.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.11331E-02 ppm1      8.693 ppm2      4.053 CV     1
 OR {  878}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 90   and name HA  ))
 ASSI {  879}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 90   and name HA  ))
      3.300     1.300     1.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.19852E-02 ppm1      7.733 ppm2      4.054 CV     1
 OR {  879}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 90   and name HA  ))
 ASSI {  882}
   (( segid B    and resid 104  and name HN  ))
   (( segid B    and resid 103  and name HA1 ))
      2.800     1.000     1.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.67060E-02 ppm1      8.442 ppm2      4.062 CV     1
 OR {  882}
   (( segid A    and resid 104  and name HN  ))
   (( segid A    and resid 103  and name HA1 ))
 ASSI {  885}
   (( segid B    and resid 103  and name HN  ))
   (( segid B    and resid 103  and name HA1 ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.29288E-02 ppm1      8.079 ppm2      4.068 CV     1
 OR {  885}
   (( segid A    and resid 103  and name HN  ))
   (( segid A    and resid 103  and name HA1 ))
 ASSI {  886}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 86   and name HB2 ))
      3.400     1.400     1.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.74562E-03 ppm1      9.303 ppm2      4.070 CV     1
 OR {  886}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 86   and name HB2 ))
 ASSI {  887}
   (( segid A    and resid 87   and name HN  ))
   (( segid A    and resid 86   and name HB2 ))
      3.000     1.100     1.100 peak   887 spectrum    1 weight  0.10000E+01 volume  0.47599E-02 ppm1      8.924 ppm2      4.075 CV     1
 OR {  887}
   (( segid B    and resid 87   and name HN  ))
   (( segid B    and resid 86   and name HB2 ))
 ASSI {  888}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 86   and name HB2 ))
      2.800     2.800     3.200 peak   888 spectrum    1 weight  0.10000E+01 volume  0.12555E-02 ppm1      7.935 ppm2      4.076 CV     1
 OR {  888}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 86   and name HB2 ))
 ASSI {  889}
   (( segid B    and resid 61   and name HN  ))
   (( segid B    and resid 86   and name HB2 ))
      4.000     2.000     2.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.77512E-03 ppm1      8.749 ppm2      4.082 CV     1
 OR {  889}
   (( segid A    and resid 61   and name HN  ))
   (( segid A    and resid 86   and name HB2 ))
 ASSI {  895}
   (( segid B    and resid 73   and name HN  ))
   (( segid B    and resid 69   and name HA  ))
      3.000     1.100     1.100 peak   895 spectrum    1 weight  0.10000E+01 volume  0.23307E-02 ppm1      8.259 ppm2      4.113 CV     1
 OR {  895}
   (( segid A    and resid 73   and name HN  ))
   (( segid A    and resid 69   and name HA  ))
 ASSI {  897}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 69   and name HA  ))
      3.600     1.600     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10831E-02 ppm1      7.415 ppm2      4.117 CV     1
 OR {  897}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 69   and name HA  ))
 ASSI {  900}
   (( segid A    and resid 119  and name HN  ))
   (( segid A    and resid 116  and name HA  ))
      3.400     1.400     1.400 peak   900 spectrum    1 weight  0.10000E+01 volume  0.12860E-02 ppm1      7.858 ppm2      4.122 CV     1
 OR {  900}
   (( segid B    and resid 119  and name HN  ))
   (( segid B    and resid 116  and name HA  ))
 ASSI {  901}
   (( segid A    and resid 14   and name HN  ))
   (( segid A    and resid 13   and name HA2 ))
      2.600     0.900     0.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.43769E-02 ppm1      8.192 ppm2      4.123 CV     1
 OR {  901}
   (( segid B    and resid 14   and name HN  ))
   (( segid B    and resid 13   and name HA2 ))
 OR {  901}
   (( segid B    and resid 14   and name HN  ))
   (( segid B    and resid 13   and name HA1 ))
 OR {  901}
   (( segid A    and resid 14   and name HN  ))
   (( segid A    and resid 13   and name HA1 ))
 ASSI {  903}
   (( segid B    and resid 13   and name HN  ))
   (( segid B    and resid 13   and name HA2 ))
      2.600     0.800     0.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.52968E-02 ppm1      8.427 ppm2      4.125 CV     1
 OR {  903}
   (( segid A    and resid 13   and name HN  ))
   (( segid A    and resid 13   and name HA2 ))
 OR {  903}
   (( segid B    and resid 13   and name HN  ))
   (( segid B    and resid 13   and name HA1 ))
 OR {  903}
   (( segid A    and resid 13   and name HN  ))
   (( segid A    and resid 13   and name HA1 ))
 ASSI {  904}
   (( segid B    and resid 120  and name HN  ))
   (( segid B    and resid 116  and name HA  ))
      3.100     1.200     1.200 peak   904 spectrum    1 weight  0.10000E+01 volume  0.16934E-02 ppm1      7.721 ppm2      4.126 CV     1
 OR {  904}
   (( segid A    and resid 120  and name HN  ))
   (( segid A    and resid 116  and name HA  ))
 ASSI {  905}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 116  and name HA  ))
      2.700     0.900     0.900 peak   905 spectrum    1 weight  0.10000E+01 volume  0.35304E-02 ppm1      8.052 ppm2      4.127 CV     1
 OR {  905}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 116  and name HA  ))
 ASSI {  907}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 100  and name HA  ))
      3.500     1.600     1.600 peak   907 spectrum    1 weight  0.10000E+01 volume  0.70668E-03 ppm1      9.594 ppm2      4.132 CV     1
 OR {  907}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 100  and name HA  ))
 ASSI {  908}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 116  and name HA  ))
      3.200     1.300     1.300 peak   908 spectrum    1 weight  0.10000E+01 volume  0.13155E-02 ppm1      8.018 ppm2      4.132 CV     1
 OR {  908}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 116  and name HA  ))
 ASSI {  916}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 47   and name HA  ))
      2.200     0.600     0.600 peak   916 spectrum    1 weight  0.10000E+01 volume  0.12131E-01 ppm1      7.173 ppm2      4.151 CV     1
 OR {  916}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 47   and name HA  ))
 ASSI {  919}
   (( segid B    and resid 49   and name HN  ))
   (( segid B    and resid 47   and name HA  ))
      2.900     1.100     1.100 peak   919 spectrum    1 weight  0.10000E+01 volume  0.25325E-02 ppm1      7.549 ppm2      4.152 CV     1
 OR {  919}
   (( segid A    and resid 49   and name HN  ))
   (( segid A    and resid 47   and name HA  ))
 ASSI {  920}
   (( segid A    and resid 48   and name HN  ))
   (( segid A    and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.36161E-02 ppm1      8.166 ppm2      4.156 CV     1
 OR {  920}
   (( segid B    and resid 48   and name HN  ))
   (( segid B    and resid 45   and name HA  ))
 ASSI {  925}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 47   and name HA  ))
      2.600     2.600     3.400 peak   925 spectrum    1 weight  0.10000E+01 volume  0.20230E-02 ppm1      8.998 ppm2      4.169 CV     1
 OR {  925}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 47   and name HA  ))
 ASSI {  928}
   (( segid B    and resid 54   and name HN  ))
   (( segid B    and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   928 spectrum    1 weight  0.10000E+01 volume  0.15795E-02 ppm1      7.772 ppm2      4.178 CV     1
 OR {  928}
   (( segid A    and resid 54   and name HN  ))
   (( segid A    and resid 53   and name HA  ))
 ASSI {  930}
   (( segid A    and resid 105  and name HN  ))
   (( segid A    and resid 53   and name HA  ))
      2.900     1.100     1.100 peak   930 spectrum    1 weight  0.10000E+01 volume  0.21768E-02 ppm1      6.318 ppm2      4.180 CV     1
 OR {  930}
   (( segid B    and resid 105  and name HN  ))
   (( segid B    and resid 53   and name HA  ))
 ASSI {  931}
   (( segid B    and resid 118  and name HN  ))
   (( segid B    and resid 118  and name HA  ))
      2.600     0.900     0.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.38749E-02 ppm1      7.526 ppm2      4.186 CV     1
 OR {  931}
   (( segid A    and resid 118  and name HN  ))
   (( segid A    and resid 118  and name HA  ))
 ASSI {  932}
   (( segid B    and resid 119  and name HN  ))
   (( segid B    and resid 118  and name HA  ))
      2.800     1.000     1.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.28734E-02 ppm1      7.857 ppm2      4.187 CV     1
 OR {  932}
   (( segid A    and resid 119  and name HN  ))
   (( segid A    and resid 118  and name HA  ))
 ASSI {  933}
   (( segid A    and resid 87   and name HD22))
   (( segid A    and resid 87   and name HA  ))
      3.700     1.700     1.700 peak   933 spectrum    1 weight  0.10000E+01 volume  0.14180E-02 ppm1      7.366 ppm2      4.192 CV     1
 OR {  933}
   (( segid B    and resid 87   and name HD22))
   (( segid B    and resid 87   and name HA  ))
 ASSI {  934}
   (( segid B    and resid 87   and name HN  ))
   (( segid B    and resid 87   and name HA  ))
      2.200     0.600     0.600 peak   934 spectrum    1 weight  0.10000E+01 volume  0.11300E-01 ppm1      8.924 ppm2      4.194 CV     1
 OR {  934}
   (( segid A    and resid 87   and name HN  ))
   (( segid A    and resid 87   and name HA  ))
 ASSI {  936}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 87   and name HA  ))
      2.300     0.700     0.700 peak   936 spectrum    1 weight  0.10000E+01 volume  0.13358E-01 ppm1      7.933 ppm2      4.197 CV     1
 OR {  936}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 87   and name HA  ))
 ASSI {  937}
   (( segid B    and resid 87   and name HD21))
   (( segid B    and resid 87   and name HA  ))
      3.400     1.400     1.400 peak   937 spectrum    1 weight  0.10000E+01 volume  0.11603E-02 ppm1      6.917 ppm2      4.197 CV     1
 OR {  937}
   (( segid A    and resid 87   and name HD21))
   (( segid A    and resid 87   and name HA  ))
 ASSI {  938}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 44   and name HA  ))
      2.600     0.900     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.39563E-02 ppm1      7.174 ppm2      4.209 CV     1
 OR {  938}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 44   and name HA  ))
 ASSI {  939}
   (( segid B    and resid 84   and name HN  ))
   (( segid B    and resid 84   and name HA  ))
      3.100     1.200     1.200 peak   939 spectrum    1 weight  0.10000E+01 volume  0.16183E-02 ppm1      9.611 ppm2      4.210 CV     1
 OR {  939}
   (( segid A    and resid 84   and name HN  ))
   (( segid A    and resid 84   and name HA  ))
 ASSI {  940}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   940 spectrum    1 weight  0.10000E+01 volume  0.37730E-02 ppm1      8.306 ppm2      4.211 CV     1
 OR {  940}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 84   and name HA  ))
 ASSI {  941}
   (( segid A    and resid 44   and name HN  ))
   (( segid A    and resid 44   and name HA  ))
      2.900     1.100     1.100 peak   941 spectrum    1 weight  0.10000E+01 volume  0.22792E-02 ppm1      8.213 ppm2      4.213 CV     1
 OR {  941}
   (( segid B    and resid 44   and name HN  ))
   (( segid B    and resid 44   and name HA  ))
 ASSI {  942}
   (( segid A    and resid 125  and name HN  ))
   (( segid A    and resid 125  and name HA  ))
      2.400     0.700     0.700 peak   942 spectrum    1 weight  0.10000E+01 volume  0.68915E-02 ppm1      7.991 ppm2      4.214 CV     1
 OR {  942}
   (( segid B    and resid 125  and name HN  ))
   (( segid B    and resid 125  and name HA  ))
 ASSI {  946}
   (( segid A    and resid 9    and name HN  ))
   (( segid A    and resid 9    and name HA  ))
      2.000     0.500     0.500 peak   946 spectrum    1 weight  0.10000E+01 volume  0.19924E-01 ppm1      8.113 ppm2      4.254 CV     1
 OR {  946}
   (( segid B    and resid 9    and name HN  ))
   (( segid B    and resid 9    and name HA  ))
 ASSI {  947}
   (( segid A    and resid 10   and name HN  ))
   (( segid A    and resid 9    and name HA  ))
      3.100     0.400     0.400 peak   947 spectrum    1 weight  0.10000E+01 volume  0.34490E-01 ppm1      8.314 ppm2      4.256 CV     1
 OR {  947}
   (( segid B    and resid 10   and name HN  ))
   (( segid B    and resid 9    and name HA  ))
 ASSI {  948}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 43   and name HA  ))
      3.000     1.200     1.200 peak   948 spectrum    1 weight  0.10000E+01 volume  0.17526E-02 ppm1      7.176 ppm2      4.259 CV     1
 OR {  948}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 43   and name HA  ))
 ASSI {  949}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 43   and name HA  ))
      3.200     1.300     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.13142E-02 ppm1      7.285 ppm2      4.264 CV     1
 OR {  949}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 43   and name HA  ))
 ASSI {  951}
   (( segid B    and resid 43   and name HN  ))
   (( segid B    and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.30309E-02 ppm1      6.933 ppm2      4.272 CV     1
 OR {  951}
   (( segid A    and resid 43   and name HN  ))
   (( segid A    and resid 43   and name HA  ))
 ASSI {  952}
   (( segid A    and resid 78   and name HN  ))
   (( segid A    and resid 78   and name HA  ))
      3.100     1.200     1.200 peak   952 spectrum    1 weight  0.10000E+01 volume  0.16110E-02 ppm1      7.159 ppm2      4.284 CV     1
 OR {  952}
   (( segid B    and resid 78   and name HN  ))
   (( segid B    and resid 78   and name HA  ))
 ASSI {  954}
   (( segid B    and resid 59   and name HN  ))
   (( segid B    and resid 59   and name HA2 ))
      2.900     1.100     1.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.22065E-02 ppm1      6.499 ppm2      4.288 CV     1
 OR {  954}
   (( segid A    and resid 59   and name HN  ))
   (( segid A    and resid 59   and name HA2 ))
 ASSI {  956}
   (( segid B    and resid 104  and name HN  ))
   (( segid B    and resid 103  and name HA2 ))
      2.400     0.700     0.700 peak   956 spectrum    1 weight  0.10000E+01 volume  0.59370E-02 ppm1      8.441 ppm2      4.301 CV     1
 OR {  956}
   (( segid A    and resid 104  and name HN  ))
   (( segid A    and resid 103  and name HA2 ))
 ASSI {  957}
   (( segid A    and resid 103  and name HN  ))
   (( segid A    and resid 103  and name HA2 ))
      2.900     1.100     1.100 peak   957 spectrum    1 weight  0.10000E+01 volume  0.33535E-02 ppm1      8.078 ppm2      4.301 CV     1
 OR {  957}
   (( segid B    and resid 103  and name HN  ))
   (( segid B    and resid 103  and name HA2 ))
 ASSI {  958}
   (( segid B    and resid 119  and name HN  ))
   (( segid B    and resid 117  and name HA  ))
      3.500     1.500     1.500 peak   958 spectrum    1 weight  0.10000E+01 volume  0.10702E-02 ppm1      7.860 ppm2      4.305 CV     1
 OR {  958}
   (( segid A    and resid 119  and name HN  ))
   (( segid A    and resid 117  and name HA  ))
 ASSI {  959}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 117  and name HA  ))
      2.800     1.000     1.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.27444E-02 ppm1      8.020 ppm2      4.306 CV     1
 OR {  959}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 117  and name HA  ))
 ASSI {  960}
   (( segid B    and resid 118  and name HN  ))
   (( segid B    and resid 117  and name HA  ))
      3.000     1.100     1.100 peak   960 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      7.526 ppm2      4.307 CV     1
 OR {  960}
   (( segid A    and resid 118  and name HN  ))
   (( segid A    and resid 117  and name HA  ))
 ASSI {  961}
   (( segid B    and resid 6    and name HN  ))
   (( segid B    and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   961 spectrum    1 weight  0.10000E+01 volume  0.10954E-01 ppm1      8.159 ppm2      4.309 CV     1
 OR {  961}
   (( segid A    and resid 6    and name HN  ))
   (( segid A    and resid 6    and name HA  ))
 ASSI {  962}
   (( segid B    and resid 7    and name HN  ))
   (( segid B    and resid 6    and name HA  ))
      1.800     0.400     0.400 peak   962 spectrum    1 weight  0.10000E+01 volume  0.32905E-01 ppm1      8.126 ppm2      4.313 CV     1
 OR {  962}
   (( segid A    and resid 7    and name HN  ))
   (( segid A    and resid 6    and name HA  ))
 ASSI {  963}
   (( segid A    and resid 122  and name HN  ))
   (( segid A    and resid 121  and name HA  ))
      2.100     0.500     0.500 peak   963 spectrum    1 weight  0.10000E+01 volume  0.17097E-01 ppm1      8.330 ppm2      4.321 CV     1
 OR {  963}
   (( segid B    and resid 122  and name HN  ))
   (( segid B    and resid 121  and name HA  ))
 ASSI {  965}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 70   and name HA  ))
      2.900     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.35361E-02 ppm1      7.413 ppm2      4.325 CV     1
 OR {  965}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 70   and name HA  ))
 ASSI {  966}
   (( segid B    and resid 73   and name HN  ))
   (( segid B    and resid 70   and name HA  ))
      2.700     0.900     0.900 peak   966 spectrum    1 weight  0.10000E+01 volume  0.37486E-02 ppm1      8.260 ppm2      4.326 CV     1
 OR {  966}
   (( segid A    and resid 73   and name HN  ))
   (( segid A    and resid 70   and name HA  ))
 ASSI {  967}
   (( segid B    and resid 72   and name HN  ))
   (( segid B    and resid 70   and name HA  ))
      3.600     1.600     1.600 peak   967 spectrum    1 weight  0.10000E+01 volume  0.88065E-03 ppm1      8.355 ppm2      4.328 CV     1
 OR {  967}
   (( segid A    and resid 72   and name HN  ))
   (( segid A    and resid 70   and name HA  ))
 ASSI {  971}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 46   and name HA  ))
      2.500     0.800     0.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.59102E-02 ppm1      7.284 ppm2      4.336 CV     1
 OR {  971}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 46   and name HA  ))
 ASSI {  972}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.45342E-02 ppm1      7.174 ppm2      4.340 CV     1
 OR {  972}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 46   and name HA  ))
 ASSI {  973}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 48   and name HA  ))
      3.700     1.700     1.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.10591E-02 ppm1      8.996 ppm2      4.344 CV     1
 OR {  973}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 48   and name HA  ))
 ASSI {  974}
   (( segid B    and resid 13   and name HN  ))
   (( segid B    and resid 12   and name HB  ))
      3.200     1.300     1.300 peak   974 spectrum    1 weight  0.10000E+01 volume  0.13670E-02 ppm1      8.429 ppm2      4.344 CV     1
 OR {  974}
   (( segid A    and resid 13   and name HN  ))
   (( segid A    and resid 12   and name HB  ))
 ASSI {  975}
   (( segid A    and resid 8    and name HN  ))
   (( segid A    and resid 7    and name HA  ))
      1.800     0.400     0.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.35223E-01 ppm1      8.267 ppm2      4.346 CV     1
 OR {  975}
   (( segid B    and resid 8    and name HN  ))
   (( segid B    and resid 7    and name HA  ))
 ASSI {  976}
   (( segid B    and resid 77   and name HN  ))
   (( segid B    and resid 76   and name HA  ))
      3.200     1.300     1.300 peak   976 spectrum    1 weight  0.10000E+01 volume  0.14421E-02 ppm1      7.878 ppm2      4.346 CV     1
 OR {  976}
   (( segid A    and resid 77   and name HN  ))
   (( segid A    and resid 76   and name HA  ))
 ASSI {  977}
   (( segid B    and resid 121  and name HN  ))
   (( segid B    and resid 121  and name HA  ))
      2.200     0.600     0.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.14043E-01 ppm1      8.060 ppm2      4.348 CV     1
 OR {  977}
   (( segid A    and resid 121  and name HN  ))
   (( segid A    and resid 121  and name HA  ))
 ASSI {  978}
   (( segid B    and resid 120  and name HN  ))
   (( segid B    and resid 120  and name HA  ))
      2.500     0.800     0.800 peak   978 spectrum    1 weight  0.10000E+01 volume  0.54506E-02 ppm1      7.720 ppm2      4.348 CV     1
 OR {  978}
   (( segid A    and resid 120  and name HN  ))
   (( segid A    and resid 120  and name HA  ))
 ASSI {  979}
   (( segid B    and resid 79   and name HN  ))
   (( segid B    and resid 76   and name HA  ))
      3.200     1.300     1.300 peak   979 spectrum    1 weight  0.10000E+01 volume  0.11603E-02 ppm1      8.566 ppm2      4.351 CV     1
 OR {  979}
   (( segid A    and resid 79   and name HN  ))
   (( segid A    and resid 76   and name HA  ))
 ASSI {  982}
   (( segid B    and resid 49   and name HE21))
   (( segid B    and resid 48   and name HA  ))
      3.400     1.400     1.400 peak   982 spectrum    1 weight  0.10000E+01 volume  0.64852E-03 ppm1      6.852 ppm2      4.354 CV     1
 OR {  982}
   (( segid A    and resid 49   and name HE21))
   (( segid A    and resid 48   and name HA  ))
 ASSI {  983}
   (( segid A    and resid 76   and name HN  ))
   (( segid A    and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.20080E-02 ppm1      8.499 ppm2      4.355 CV     1
 OR {  983}
   (( segid B    and resid 76   and name HN  ))
   (( segid B    and resid 76   and name HA  ))
 ASSI {  985}
   (( segid A    and resid 10   and name HN  ))
   (( segid A    and resid 10   and name HA  ))
      2.100     0.600     0.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.15746E-01 ppm1      8.312 ppm2      4.360 CV     1
 OR {  985}
   (( segid B    and resid 10   and name HN  ))
   (( segid B    and resid 10   and name HA  ))
 ASSI {  987}
   (( segid A    and resid 11   and name HN  ))
   (( segid A    and resid 10   and name HA  ))
      2.300     0.700     0.700 peak   987 spectrum    1 weight  0.10000E+01 volume  0.93994E-02 ppm1      8.311 ppm2      4.365 CV     1
 OR {  987}
   (( segid B    and resid 11   and name HN  ))
   (( segid B    and resid 10   and name HA  ))
 ASSI {  988}
   (( segid A    and resid 49   and name HN  ))
   (( segid A    and resid 48   and name HA  ))
      2.600     0.800     0.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.56536E-02 ppm1      7.551 ppm2      4.367 CV     1
 OR {  988}
   (( segid B    and resid 49   and name HN  ))
   (( segid B    and resid 48   and name HA  ))
 ASSI {  990}
   (( segid B    and resid 6    and name HN  ))
   (( segid B    and resid 5    and name HA  ))
      2.000     0.500     0.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.20150E-01 ppm1      8.162 ppm2      4.369 CV     1
 OR {  990}
   (( segid A    and resid 6    and name HN  ))
   (( segid A    and resid 5    and name HA  ))
 ASSI {  991}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 115  and name HA  ))
      3.400     1.400     1.400 peak   991 spectrum    1 weight  0.10000E+01 volume  0.11311E-02 ppm1      8.021 ppm2      4.374 CV     1
 OR {  991}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 115  and name HA  ))
 ASSI {  992}
   (( segid B    and resid 48   and name HN  ))
   (( segid B    and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.57989E-02 ppm1      8.167 ppm2      4.377 CV     1
 OR {  992}
   (( segid A    and resid 48   and name HN  ))
   (( segid A    and resid 48   and name HA  ))
 ASSI {  993}
   (( segid B    and resid 115  and name HN  ))
   (( segid B    and resid 115  and name HA  ))
      3.000     1.100     1.100 peak   993 spectrum    1 weight  0.10000E+01 volume  0.18428E-02 ppm1      7.876 ppm2      4.377 CV     1
 OR {  993}
   (( segid A    and resid 115  and name HN  ))
   (( segid A    and resid 115  and name HA  ))
 ASSI {  994}
   (( segid A    and resid 114  and name HN  ))
   (( segid A    and resid 114  and name HA  ))
      2.500     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.55203E-02 ppm1      7.791 ppm2      4.379 CV     1
 OR {  994}
   (( segid B    and resid 114  and name HN  ))
   (( segid B    and resid 114  and name HA  ))
 ASSI {  995}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   995 spectrum    1 weight  0.10000E+01 volume  0.51439E-02 ppm1      7.129 ppm2      4.384 CV     1
 OR {  995}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 29   and name HA  ))
 ASSI { 1001}
   (( segid A    and resid 73   and name HN  ))
   (( segid A    and resid 71   and name HA  ))
      3.300     1.400     1.400 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.12947E-02 ppm1      8.259 ppm2      4.409 CV     1
 OR { 1001}
   (( segid B    and resid 73   and name HN  ))
   (( segid B    and resid 71   and name HA  ))
 ASSI { 1002}
   (( segid A    and resid 74   and name HN  ))
   (( segid A    and resid 71   and name HA  ))
      2.700     0.900     0.900 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.33719E-02 ppm1      7.742 ppm2      4.415 CV     1
 OR { 1002}
   (( segid B    and resid 74   and name HN  ))
   (( segid B    and resid 71   and name HA  ))
 ASSI { 1003}
   (( segid A    and resid 99   and name HN  ))
   (( segid A    and resid 98   and name HA  ))
      2.100     0.500     0.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.15652E-01 ppm1      8.510 ppm2      4.415 CV     1
 OR { 1003}
   (( segid B    and resid 99   and name HN  ))
   (( segid B    and resid 98   and name HA  ))
 ASSI { 1007}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 71   and name HA  ))
      2.400     0.700     0.700 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.70871E-02 ppm1      7.413 ppm2      4.421 CV     1
 OR { 1007}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 71   and name HA  ))
 ASSI { 1008}
   (( segid A    and resid 75   and name HN  ))
   (( segid A    and resid 71   and name HA  ))
      3.700     1.700     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.62154E-03 ppm1      7.660 ppm2      4.423 CV     1
 OR { 1008}
   (( segid B    and resid 75   and name HN  ))
   (( segid B    and resid 71   and name HA  ))
 ASSI { 1009}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 97   and name HA  ))
      2.100     0.600     0.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.10671E-01 ppm1      7.370 ppm2      4.427 CV     1
 OR { 1009}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 97   and name HA  ))
 ASSI { 1010}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 36   and name HA  ))
      3.700     1.700     1.700 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.56097E-03 ppm1      8.794 ppm2      4.438 CV     1
 OR { 1010}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 36   and name HA  ))
 ASSI { 1011}
   (( segid A    and resid 97   and name HN  ))
   (( segid A    and resid 97   and name HA  ))
      2.900     1.000     1.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.22635E-02 ppm1      8.589 ppm2      4.444 CV     1
 OR { 1011}
   (( segid B    and resid 97   and name HN  ))
   (( segid B    and resid 97   and name HA  ))
 ASSI { 1012}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 36   and name HA  ))
      3.500     1.500     1.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.10445E-02 ppm1      7.895 ppm2      4.446 CV     1
 OR { 1012}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 36   and name HA  ))
 ASSI { 1013}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 36   and name HA  ))
      2.900     1.000     1.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.25565E-02 ppm1      8.578 ppm2      4.447 CV     1
 OR { 1013}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 36   and name HA  ))
 ASSI { 1015}
   (( segid B    and resid 13   and name HN  ))
   (( segid B    and resid 12   and name HA  ))
      2.600     0.900     0.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.40806E-02 ppm1      8.429 ppm2      4.449 CV     1
 OR { 1015}
   (( segid A    and resid 13   and name HN  ))
   (( segid A    and resid 12   and name HA  ))
 ASSI { 1016}
   (( segid B    and resid 12   and name HN  ))
   (( segid B    and resid 12   and name HA  ))
      2.500     0.800     0.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.56088E-02 ppm1      8.169 ppm2      4.449 CV     1
 OR { 1016}
   (( segid A    and resid 12   and name HN  ))
   (( segid A    and resid 12   and name HA  ))
 ASSI { 1017}
   (( segid B    and resid 40   and name HN  ))
   (( segid B    and resid 36   and name HA  ))
      4.000     2.000     2.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.49368E-03 ppm1      8.087 ppm2      4.459 CV     1
 OR { 1017}
   (( segid A    and resid 40   and name HN  ))
   (( segid A    and resid 36   and name HA  ))
 ASSI { 1018}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 27   and name HA  ))
      3.100     1.200     1.200 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      7.128 ppm2      4.466 CV     1
 OR { 1018}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 27   and name HA  ))
 ASSI { 1019}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 27   and name HA  ))
      2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.69076E-02 ppm1      8.317 ppm2      4.469 CV     1
 OR { 1019}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 27   and name HA  ))
 ASSI { 1022}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 91   and name HA  ))
      3.000     1.100     1.100 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.25747E-02 ppm1      7.735 ppm2      4.483 CV     1
 OR { 1022}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 91   and name HA  ))
 ASSI { 1023}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 91   and name HA  ))
      3.700     1.700     1.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.80790E-03 ppm1      8.729 ppm2      4.489 CV     1
 OR { 1023}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 91   and name HA  ))
 ASSI { 1024}
   (( segid B    and resid 124  and name HN  ))
   (( segid B    and resid 123  and name HA  ))
      2.500     0.800     0.800 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.62322E-02 ppm1      8.343 ppm2      4.491 CV     1
 OR { 1024}
   (( segid A    and resid 124  and name HN  ))
   (( segid A    and resid 123  and name HA  ))
 ASSI { 1028}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 57   and name HA  ))
      2.600     0.900     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.36886E-02 ppm1      9.289 ppm2      4.577 CV     1
 OR { 1028}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 57   and name HA  ))
 ASSI { 1029}
   (( segid B    and resid 67   and name HN  ))
   (( segid B    and resid 67   and name HA1 ))
      2.800     1.000     1.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.18339E-02 ppm1      8.585 ppm2      4.579 CV     1
 OR { 1029}
   (( segid A    and resid 67   and name HN  ))
   (( segid A    and resid 67   and name HA1 ))
 ASSI { 1030}
   (( segid A    and resid 57   and name HN  ))
   (( segid A    and resid 57   and name HA  ))
      3.100     1.200     1.200 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.14539E-02 ppm1      8.556 ppm2      4.579 CV     1
 OR { 1030}
   (( segid B    and resid 57   and name HN  ))
   (( segid B    and resid 57   and name HA  ))
 ASSI { 1031}
   (( segid A    and resid 36   and name HN  ))
   (( segid A    and resid 33   and name HA  ))
      3.200     1.300     1.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.13145E-02 ppm1      8.580 ppm2      4.581 CV     1
 OR { 1031}
   (( segid B    and resid 36   and name HN  ))
   (( segid B    and resid 33   and name HA  ))
 ASSI { 1032}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 67   and name HA1 ))
      2.500     0.800     0.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.44159E-02 ppm1      9.457 ppm2      4.582 CV     1
 OR { 1032}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 67   and name HA1 ))
 ASSI { 1033}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 33   and name HA  ))
      3.200     1.300     1.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.56511E-03 ppm1      7.896 ppm2      4.585 CV     1
 OR { 1033}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 33   and name HA  ))
 ASSI { 1034}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 33   and name HA  ))
      2.600     0.800     0.800 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.52767E-02 ppm1      7.754 ppm2      4.586 CV     1
 OR { 1034}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 33   and name HA  ))
 ASSI { 1035}
   (( segid A    and resid 34   and name HN  ))
   (( segid A    and resid 33   and name HA  ))
      3.600     1.700     1.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.71966E-03 ppm1      7.666 ppm2      4.588 CV     1
 OR { 1035}
   (( segid B    and resid 34   and name HN  ))
   (( segid B    and resid 33   and name HA  ))
 ASSI { 1036}
   (( segid B    and resid 17   and name HN  ))
   (( segid B    and resid 67   and name HA1 ))
      3.900     1.900     1.900 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.92833E-03 ppm1      9.112 ppm2      4.589 CV     1
 OR { 1036}
   (( segid A    and resid 17   and name HN  ))
   (( segid A    and resid 67   and name HA1 ))
 ASSI { 1037}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 15   and name HA  ))
      1.900     0.400     0.400 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.25480E-01 ppm1      8.094 ppm2      4.590 CV     1
 OR { 1037}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 15   and name HA  ))
 ASSI { 1038}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 67   and name HA1 ))
      3.900     1.900     1.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.73222E-03 ppm1      8.770 ppm2      4.594 CV     1
 OR { 1038}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 67   and name HA1 ))
 ASSI { 1040}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 92   and name HA  ))
      2.500     0.800     0.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.49705E-02 ppm1      7.734 ppm2      4.605 CV     1
 OR { 1040}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 92   and name HA  ))
 ASSI { 1042}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 92   and name HA  ))
      1.800     0.400     0.400 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.36083E-01 ppm1      8.444 ppm2      4.607 CV     1
 OR { 1042}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 92   and name HA  ))
 ASSI { 1043}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 26   and name HA  ))
      3.000     1.100     1.100 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.29374E-02 ppm1      8.317 ppm2      4.610 CV     1
 OR { 1043}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 26   and name HA  ))
 ASSI { 1044}
   (( segid A    and resid 103  and name HN  ))
   (( segid A    and resid 102  and name HA  ))
      2.500     0.800     0.800 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.58340E-02 ppm1      8.079 ppm2      4.612 CV     1
 OR { 1044}
   (( segid B    and resid 103  and name HN  ))
   (( segid B    and resid 102  and name HA  ))
 ASSI { 1045}
   (( segid B    and resid 26   and name HN  ))
   (( segid B    and resid 26   and name HA  ))
      2.400     0.700     0.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.56839E-02 ppm1      8.399 ppm2      4.616 CV     1
 OR { 1045}
   (( segid A    and resid 26   and name HN  ))
   (( segid A    and resid 26   and name HA  ))
 ASSI { 1047}
   (( segid B    and resid 102  and name HN  ))
   (( segid B    and resid 101  and name HA  ))
      2.300     0.700     0.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.97362E-02 ppm1      8.525 ppm2      4.629 CV     1
 OR { 1047}
   (( segid A    and resid 102  and name HN  ))
   (( segid A    and resid 101  and name HA  ))
 ASSI { 1048}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 89   and name HA  ))
      2.000     0.500     0.500 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.18950E-01 ppm1      8.729 ppm2      4.633 CV     1
 OR { 1048}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 89   and name HA  ))
 ASSI { 1049}
   (( segid B    and resid 89   and name HN  ))
   (( segid B    and resid 89   and name HA  ))
      2.900     1.000     1.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.24550E-02 ppm1      9.603 ppm2      4.634 CV     1
 OR { 1049}
   (( segid A    and resid 89   and name HN  ))
   (( segid A    and resid 89   and name HA  ))
 ASSI { 1051}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 101  and name HA  ))
      3.400     1.500     1.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.84643E-03 ppm1      9.577 ppm2      4.638 CV     1
 OR { 1051}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 101  and name HA  ))
 ASSI { 1052}
   (( segid A    and resid 83   and name HN  ))
   (( segid A    and resid 83   and name HA  ))
      2.600     0.800     0.800 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.41278E-02 ppm1      8.700 ppm2      4.643 CV     1
 OR { 1052}
   (( segid B    and resid 83   and name HN  ))
   (( segid B    and resid 83   and name HA  ))
 ASSI { 1053}
   (( segid A    and resid 84   and name HN  ))
   (( segid A    and resid 83   and name HA  ))
      3.300     1.400     1.400 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1      9.607 ppm2      4.645 CV     1
 OR { 1053}
   (( segid B    and resid 84   and name HN  ))
   (( segid B    and resid 83   and name HA  ))
 ASSI { 1054}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 25   and name HA  ))
      2.900     2.900     3.100 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.48809E-02 ppm1      8.306 ppm2      4.650 CV     1
 OR { 1054}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 25   and name HA  ))
 ASSI { 1056}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 25   and name HA  ))
      2.900     1.000     1.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.20142E-02 ppm1      8.443 ppm2      4.658 CV     1
 OR { 1056}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 25   and name HA  ))
 ASSI { 1057}
   (( segid B    and resid 26   and name HN  ))
   (( segid B    and resid 25   and name HA  ))
      2.200     0.600     0.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.88209E-02 ppm1      8.400 ppm2      4.660 CV     1
 OR { 1057}
   (( segid A    and resid 26   and name HN  ))
   (( segid A    and resid 25   and name HA  ))
 ASSI { 1058}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 25   and name HA  ))
      3.100     1.200     1.200 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.15669E-02 ppm1      9.307 ppm2      4.665 CV     1
 OR { 1058}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 25   and name HA  ))
 ASSI { 1059}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 28   and name HA  ))
      2.800     1.000     1.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.39114E-02 ppm1      7.130 ppm2      4.688 CV     1
 OR { 1059}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 28   and name HA  ))
 ASSI { 1060}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 28   and name HA  ))
      2.300     0.600     0.600 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.11218E-01 ppm1      8.317 ppm2      4.690 CV     1
 OR { 1060}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 28   and name HA  ))
 ASSI { 1065}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 30   and name HB  ))
      2.900     1.100     1.100 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.21669E-02 ppm1      7.754 ppm2      4.768 CV     1
 OR { 1065}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 30   and name HB  ))
 ASSI { 1066}
   (( segid B    and resid 32   and name HN  ))
   (( segid B    and resid 30   and name HB  ))
      2.800     1.000     1.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.37501E-02 ppm1      8.205 ppm2      4.769 CV     1
 OR { 1066}
   (( segid A    and resid 32   and name HN  ))
   (( segid A    and resid 30   and name HB  ))
 ASSI { 1067}
   (( segid A    and resid 31   and name HN  ))
   (( segid A    and resid 30   and name HB  ))
      3.000     1.200     1.200 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.26286E-02 ppm1      8.856 ppm2      4.769 CV     1
 OR { 1067}
   (( segid B    and resid 31   and name HN  ))
   (( segid B    and resid 30   and name HB  ))
 ASSI { 1068}
   (( segid A    and resid 30   and name HN  ))
   (( segid A    and resid 30   and name HB  ))
      4.000     2.000     2.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.59457E-03 ppm1      9.311 ppm2      4.771 CV     1
 OR { 1068}
   (( segid B    and resid 30   and name HN  ))
   (( segid B    and resid 30   and name HB  ))
 ASSI { 1069}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 16   and name HA  ))
      3.300     1.400     1.400 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      7.865 ppm2      4.776 CV     1
 OR { 1069}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 16   and name HA  ))
 ASSI { 1070}
   (( segid A    and resid 67   and name HN  ))
   (( segid A    and resid 16   and name HA  ))
      3.800     1.800     1.800 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.11391E-02 ppm1      8.587 ppm2      4.778 CV     1
 OR { 1070}
   (( segid B    and resid 67   and name HN  ))
   (( segid B    and resid 16   and name HA  ))
 ASSI { 1071}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 16   and name HA  ))
      2.200     0.600     0.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.72307E-02 ppm1      8.094 ppm2      4.779 CV     1
 OR { 1071}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 16   and name HA  ))
 ASSI { 1072}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 16   and name HA  ))
      4.100     2.100     1.900 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.79654E-03 ppm1      9.459 ppm2      4.780 CV     1
 OR { 1072}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 16   and name HA  ))
 ASSI { 1073}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 86   and name HA  ))
      3.500     1.500     1.500 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.12976E-02 ppm1      8.304 ppm2      4.781 CV     1
 OR { 1073}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 86   and name HA  ))
 ASSI { 1075}
   (( segid A    and resid 87   and name HN  ))
   (( segid A    and resid 86   and name HA  ))
      2.400     0.700     0.700 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.81215E-02 ppm1      8.924 ppm2      4.785 CV     1
 OR { 1075}
   (( segid B    and resid 87   and name HN  ))
   (( segid B    and resid 86   and name HA  ))
 ASSI { 1076}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 86   and name HA  ))
      2.800     1.000     1.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.26086E-02 ppm1      9.308 ppm2      4.786 CV     1
 OR { 1076}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 86   and name HA  ))
 ASSI { 1078}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 86   and name HA  ))
      2.600     2.600     3.400 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.19145E-02 ppm1      7.934 ppm2      4.790 CV     1
 OR { 1078}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 86   and name HA  ))
 ASSI { 1079}
   (( segid A    and resid 104  and name HN  ))
   (( segid A    and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.22788E-02 ppm1      8.442 ppm2      4.825 CV     1
 OR { 1079}
   (( segid B    and resid 104  and name HN  ))
   (( segid B    and resid 51   and name HA  ))
 ASSI { 1080}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 51   and name HA  ))
      4.500     2.500     1.500 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.45775E-03 ppm1      9.580 ppm2      4.826 CV     1
 OR { 1080}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 51   and name HA  ))
 ASSI { 1081}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 51   and name HA  ))
      2.900     1.000     1.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.20999E-02 ppm1      8.774 ppm2      4.830 CV     1
 OR { 1081}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 51   and name HA  ))
 ASSI { 1082}
   (( segid B    and resid 52   and name HN  ))
   (( segid B    and resid 51   and name HA  ))
      2.600     0.800     0.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.36493E-02 ppm1      9.083 ppm2      4.830 CV     1
 OR { 1082}
   (( segid A    and resid 52   and name HN  ))
   (( segid A    and resid 51   and name HA  ))
 ASSI { 1083}
   (( segid A    and resid 103  and name HN  ))
   (( segid A    and resid 51   and name HA  ))
      3.100     1.200     1.200 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.19325E-02 ppm1      8.079 ppm2      4.834 CV     1
 OR { 1083}
   (( segid B    and resid 103  and name HN  ))
   (( segid B    and resid 51   and name HA  ))
 ASSI { 1085}
   (( segid A    and resid 60   and name HN  ))
   (( segid A    and resid 60   and name HA  ))
      3.000     1.200     1.200 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.16545E-02 ppm1      7.764 ppm2      4.837 CV     1
 OR { 1085}
   (( segid B    and resid 60   and name HN  ))
   (( segid B    and resid 60   and name HA  ))
 ASSI { 1086}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 60   and name HA  ))
      2.900     1.000     1.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      8.444 ppm2      4.838 CV     1
 OR { 1086}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 60   and name HA  ))
 ASSI { 1087}
   (( segid A    and resid 102  and name HN  ))
   (( segid A    and resid 51   and name HA  ))
      3.700     1.700     1.700 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.14598E-02 ppm1      8.524 ppm2      4.839 CV     1
 OR { 1087}
   (( segid B    and resid 102  and name HN  ))
   (( segid B    and resid 51   and name HA  ))
 ASSI { 1088}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 96   and name HA  ))
      2.900     1.100     1.100 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.60581E-02 ppm1      7.370 ppm2      4.840 CV     1
 OR { 1088}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 96   and name HA  ))
 ASSI { 1089}
   (( segid A    and resid 97   and name HN  ))
   (( segid A    and resid 96   and name HA  ))
      2.500     0.800     0.800 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.55906E-02 ppm1      8.588 ppm2      4.840 CV     1
 OR { 1089}
   (( segid B    and resid 97   and name HN  ))
   (( segid B    and resid 96   and name HA  ))
 ASSI { 1090}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 60   and name HA  ))
      4.200     2.200     1.800 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.70261E-03 ppm1      9.670 ppm2      4.841 CV     1
 OR { 1090}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 60   and name HA  ))
 ASSI { 1092}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 96   and name HA  ))
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.37973E-02 ppm1      7.865 ppm2      4.848 CV     1
 OR { 1092}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 96   and name HA  ))
 ASSI { 1093}
   (( segid B    and resid 32   and name HN  ))
   (( segid B    and resid 30   and name HA  ))
      3.100     1.200     1.200 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.19082E-02 ppm1      8.204 ppm2      4.853 CV     1
 OR { 1093}
   (( segid A    and resid 32   and name HN  ))
   (( segid A    and resid 30   and name HA  ))
 ASSI { 1094}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 30   and name HA  ))
      3.200     1.300     1.300 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.12631E-02 ppm1      7.753 ppm2      4.853 CV     1
 OR { 1094}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 30   and name HA  ))
 ASSI { 1095}
   (( segid A    and resid 30   and name HN  ))
   (( segid A    and resid 30   and name HA  ))
      3.300     1.400     1.400 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.10152E-02 ppm1      9.312 ppm2      4.856 CV     1
 OR { 1095}
   (( segid B    and resid 30   and name HN  ))
   (( segid B    and resid 30   and name HA  ))
 ASSI { 1096}
   (( segid A    and resid 31   and name HN  ))
   (( segid A    and resid 30   and name HA  ))
      2.800     1.000     1.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.29757E-02 ppm1      8.855 ppm2      4.856 CV     1
 OR { 1096}
   (( segid B    and resid 31   and name HN  ))
   (( segid B    and resid 30   and name HA  ))
 ASSI { 1101}
   (( segid B    and resid 94   and name HN  ))
   (( segid B    and resid 94   and name HA  ))
      2.700     0.900     0.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.35129E-02 ppm1      8.716 ppm2      4.910 CV     1
 OR { 1101}
   (( segid A    and resid 94   and name HN  ))
   (( segid A    and resid 94   and name HA  ))
 ASSI { 1102}
   (( segid A    and resid 95   and name HN  ))
   (( segid A    and resid 94   and name HA  ))
      2.000     0.500     0.500 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.21950E-01 ppm1      8.771 ppm2      4.914 CV     1
 OR { 1102}
   (( segid B    and resid 95   and name HN  ))
   (( segid B    and resid 94   and name HA  ))
 ASSI { 1103}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 94   and name HA  ))
      3.400     1.400     1.400 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      8.441 ppm2      4.918 CV     1
 OR { 1103}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 94   and name HA  ))
 ASSI { 1106}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 95   and name HA  ))
      1.900     0.400     0.400 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.14344E-01 ppm1      7.866 ppm2      4.937 CV     1
 OR { 1106}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 95   and name HA  ))
 ASSI { 1107}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 95   and name HA  ))
      3.600     1.700     1.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.10020E-02 ppm1      8.092 ppm2      4.946 CV     1
 OR { 1107}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 95   and name HA  ))
 ASSI { 1109}
   (( segid A    and resid 89   and name HN  ))
   (( segid A    and resid 23   and name HA  ))
      3.400     1.400     1.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.10338E-02 ppm1      9.605 ppm2      5.111 CV     1
 OR { 1109}
   (( segid B    and resid 89   and name HN  ))
   (( segid B    and resid 23   and name HA  ))
 ASSI { 1110}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 24   and name HA  ))
      2.100     0.600     0.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.10883E-01 ppm1      8.442 ppm2      5.112 CV     1
 OR { 1110}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 24   and name HA  ))
 ASSI { 1111}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 23   and name HA  ))
      3.300     1.400     1.400 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.10586E-02 ppm1      7.933 ppm2      5.114 CV     1
 OR { 1111}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 23   and name HA  ))
 ASSI { 1113}
   (( segid A    and resid 24   and name HN  ))
   (( segid A    and resid 23   and name HA  ))
      2.400     0.700     0.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.54952E-02 ppm1      8.829 ppm2      5.115 CV     1
 OR { 1113}
   (( segid B    and resid 24   and name HN  ))
   (( segid B    and resid 23   and name HA  ))
 ASSI { 1114}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 24   and name HA  ))
      3.600     1.600     1.600 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.10419E-02 ppm1      9.306 ppm2      5.116 CV     1
 OR { 1114}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 24   and name HA  ))
 ASSI { 1117}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.25441E-02 ppm1      9.455 ppm2      5.143 CV     1
 OR { 1117}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 68   and name HA  ))
 ASSI { 1120}
   (( segid A    and resid 54   and name HN  ))
   (( segid A    and resid 106  and name HA  ))
      3.600     1.600     1.600 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.78098E-03 ppm1      7.786 ppm2      5.185 CV     1
 OR { 1120}
   (( segid B    and resid 54   and name HN  ))
   (( segid B    and resid 106  and name HA  ))
 ASSI { 1121}
   (( segid B    and resid 107  and name HN  ))
   (( segid B    and resid 106  and name HA  ))
      3.100     1.200     1.200 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.18627E-02 ppm1      9.094 ppm2      5.187 CV     1
 OR { 1121}
   (( segid A    and resid 107  and name HN  ))
   (( segid A    and resid 106  and name HA  ))
 ASSI { 1122}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 93   and name HA  ))
      2.500     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.51653E-02 ppm1      8.443 ppm2      5.200 CV     1
 OR { 1122}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 93   and name HA  ))
 ASSI { 1123}
   (( segid B    and resid 94   and name HN  ))
   (( segid B    and resid 93   and name HA  ))
      2.100     0.500     0.500 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.11071E-01 ppm1      8.720 ppm2      5.201 CV     1
 OR { 1123}
   (( segid A    and resid 94   and name HN  ))
   (( segid A    and resid 93   and name HA  ))
 ASSI { 1128}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 17   and name HA  ))
      2.100     0.500     0.500 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.72839E-02 ppm1      9.027 ppm2      5.240 CV     1
 OR { 1128}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 17   and name HA  ))
 ASSI { 1129}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 17   and name HA  ))
      2.200     0.600     0.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.55315E-02 ppm1      7.866 ppm2      5.241 CV     1
 OR { 1129}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 17   and name HA  ))
 ASSI { 1130}
   (( segid A    and resid 94   and name HN  ))
   (( segid A    and resid 19   and name HA  ))
      3.200     1.300     1.300 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.23782E-02 ppm1      8.716 ppm2      5.268 CV     1
 OR { 1130}
   (( segid B    and resid 94   and name HN  ))
   (( segid B    and resid 19   and name HA  ))
 ASSI { 1131}
   (( segid B    and resid 108  and name HN  ))
   (( segid B    and resid 108  and name HA  ))
      3.400     1.400     1.400 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.92630E-03 ppm1      7.765 ppm2      5.272 CV     1
 OR { 1131}
   (( segid A    and resid 108  and name HN  ))
   (( segid A    and resid 108  and name HA  ))
 ASSI { 1132}
   (( segid A    and resid 109  and name HN  ))
   (( segid A    and resid 108  and name HA  ))
      3.700     1.700     1.700 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.56244E-03 ppm1      8.439 ppm2      5.272 CV     1
 OR { 1132}
   (( segid B    and resid 109  and name HN  ))
   (( segid B    and resid 108  and name HA  ))
 ASSI { 1133}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 19   and name HA  ))
      3.400     1.500     1.500 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.16174E-02 ppm1      8.443 ppm2      5.275 CV     1
 OR { 1133}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 19   and name HA  ))
 ASSI { 1134}
   (( segid B    and resid 20   and name HN  ))
   (( segid B    and resid 19   and name HA  ))
      2.300     0.700     0.700 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.57120E-02 ppm1      8.765 ppm2      5.276 CV     1
 OR { 1134}
   (( segid A    and resid 20   and name HN  ))
   (( segid A    and resid 19   and name HA  ))
 ASSI { 1138}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 19   and name HA  ))
      3.100     1.200     1.200 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.11769E-02 ppm1      9.416 ppm2      5.284 CV     1
 OR { 1138}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 19   and name HA  ))
 ASSI { 1142}
   (( segid A    and resid 53   and name HN  ))
   (( segid A    and resid 65   and name HA  ))
      4.000     2.000     2.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.46143E-03 ppm1      7.977 ppm2      5.311 CV     1
 OR { 1142}
   (( segid B    and resid 53   and name HN  ))
   (( segid B    and resid 65   and name HA  ))
 ASSI { 1144}
   (( segid A    and resid 52   and name HN  ))
   (( segid A    and resid 52   and name HA1 ))
      3.500     1.600     1.600 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.70243E-03 ppm1      9.080 ppm2      5.384 CV     1
 OR { 1144}
   (( segid B    and resid 52   and name HN  ))
   (( segid B    and resid 52   and name HA1 ))
 OR { 1144}
   (( segid B    and resid 52   and name HN  ))
   (( segid B    and resid 52   and name HA2 ))
 OR { 1144}
   (( segid A    and resid 52   and name HN  ))
   (( segid A    and resid 52   and name HA2 ))
 ASSI { 1145}
   (( segid A    and resid 108  and name HN  ))
   (( segid A    and resid 107  and name HA  ))
      3.000     1.100     1.100 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.21439E-02 ppm1      7.766 ppm2      5.387 CV     1
 OR { 1145}
   (( segid B    and resid 108  and name HN  ))
   (( segid B    and resid 107  and name HA  ))
 ASSI { 1146}
   (( segid B    and resid 53   and name HN  ))
   (( segid B    and resid 52   and name HA2 ))
      3.100     1.200     1.200 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.15201E-02 ppm1      7.977 ppm2      5.395 CV     1
 OR { 1146}
   (( segid A    and resid 53   and name HN  ))
   (( segid A    and resid 52   and name HA2 ))
 OR { 1146}
   (( segid A    and resid 53   and name HN  ))
   (( segid A    and resid 52   and name HA1 ))
 OR { 1146}
   (( segid B    and resid 53   and name HN  ))
   (( segid B    and resid 52   and name HA1 ))
 ASSI { 1149}
   (( segid A    and resid 107  and name HN  ))
   (( segid A    and resid 107  and name HA  ))
      3.900     1.900     1.900 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.43138E-03 ppm1      9.107 ppm2      5.407 CV     1
 OR { 1149}
   (( segid B    and resid 107  and name HN  ))
   (( segid B    and resid 107  and name HA  ))
 ASSI { 1151}
   (( segid B    and resid 90   and name HN  ))
   (( segid B    and resid 21   and name HA  ))
      4.000     2.000     2.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.69848E-03 ppm1      8.724 ppm2      5.457 CV     1
 OR { 1151}
   (( segid A    and resid 90   and name HN  ))
   (( segid A    and resid 21   and name HA  ))
 ASSI { 1154}
   (( segid B    and resid 21   and name HN  ))
   (( segid B    and resid 21   and name HA  ))
      3.300     1.300     1.300 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.81562E-03 ppm1      8.764 ppm2      5.472 CV     1
 OR { 1154}
   (( segid A    and resid 21   and name HN  ))
   (( segid A    and resid 21   and name HA  ))
 ASSI { 1155}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 21   and name HA  ))
      3.400     1.500     1.500 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.13350E-02 ppm1      7.735 ppm2      5.473 CV     1
 OR { 1155}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 21   and name HA  ))
 ASSI { 1156}
   (( segid B    and resid 52   and name HN  ))
   (( segid B    and resid 104  and name HA  ))
      3.300     1.400     1.400 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.10034E-02 ppm1      9.080 ppm2      5.502 CV     1
 OR { 1156}
   (( segid A    and resid 52   and name HN  ))
   (( segid A    and resid 104  and name HA  ))
 ASSI { 1157}
   (( segid B    and resid 105  and name HN  ))
   (( segid B    and resid 104  and name HA  ))
      2.600     0.800     0.800 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.38770E-02 ppm1      6.315 ppm2      5.503 CV     1
 OR { 1157}
   (( segid A    and resid 105  and name HN  ))
   (( segid A    and resid 104  and name HA  ))
 ASSI { 1158}
   (( segid A    and resid 26   and name HN  ))
   (( segid A    and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.55814E-02 ppm1      8.399 ppm2      5.505 CV     1
 OR { 1158}
   (( segid B    and resid 26   and name HN  ))
   (( segid B    and resid 85   and name HA  ))
 ASSI { 1159}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.44643E-02 ppm1      8.306 ppm2      5.506 CV     1
 OR { 1159}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 85   and name HA  ))
 ASSI { 1160}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.45461E-02 ppm1      9.308 ppm2      5.506 CV     1
 OR { 1160}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 85   and name HA  ))
 ASSI { 1161}
   (( segid A    and resid 104  and name HN  ))
   (( segid A    and resid 104  and name HA  ))
      3.000     1.100     1.100 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.19842E-02 ppm1      8.443 ppm2      5.509 CV     1
 OR { 1161}
   (( segid B    and resid 104  and name HN  ))
   (( segid B    and resid 104  and name HA  ))
 ASSI { 1166}
   (( segid A    and resid 57   and name HN  ))
   (( segid A    and resid 56   and name HA  ))
      2.500     0.800     0.800 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.48360E-02 ppm1      8.557 ppm2      5.548 CV     1
 OR { 1166}
   (( segid B    and resid 57   and name HN  ))
   (( segid B    and resid 56   and name HA  ))
 ASSI { 1171}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 18   and name HA  ))
      2.900     1.100     1.100 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.14181E-02 ppm1      9.027 ppm2      5.705 CV     1
 OR { 1171}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 18   and name HA  ))
 ASSI { 1173}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 22   and name HA  ))
      3.000     1.200     1.200 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.12368E-02 ppm1      8.695 ppm2      5.713 CV     1
 OR { 1173}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 22   and name HA  ))
 ASSI { 1174}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 22   and name HA  ))
      2.300     0.700     0.700 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.51102E-02 ppm1      9.671 ppm2      5.714 CV     1
 OR { 1174}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 22   and name HA  ))
 ASSI { 1180}
   (( segid B    and resid 17   and name HN  ))
   (( segid B    and resid 66   and name HA  ))
      3.800     1.800     1.800 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.11188E-02 ppm1      9.110 ppm2      5.869 CV     1
 OR { 1180}
   (( segid A    and resid 17   and name HN  ))
   (( segid A    and resid 66   and name HA  ))
 ASSI { 1181}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 66   and name HA  ))
      3.600     1.600     1.600 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      9.415 ppm2      5.871 CV     1
 OR { 1181}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 66   and name HA  ))
 ASSI { 1184}
   (( segid B    and resid 64   and name HE1 ))
   (( segid B    and resid 20   and name HA  ))
      4.700     2.800     1.300 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.42539E-03 ppm1     10.647 ppm2      5.881 CV     1
 OR { 1184}
   (( segid A    and resid 64   and name HE1 ))
   (( segid A    and resid 20   and name HA  ))
 ASSI { 1192}
   (( segid B    and resid 52   and name HN  ))
   (( segid B    and resid 105  and name HN  ))
      4.100     2.100     1.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.46280E-03 ppm1      9.084 ppm2      6.312 CV     1
 OR { 1192}
   (( segid A    and resid 52   and name HN  ))
   (( segid A    and resid 105  and name HN  ))
 ASSI { 1193}
   (( segid B    and resid 25   and name HN  ))
   (  segid B    and resid 56   and name HE% )
      4.200     2.200     1.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.75340E-03 ppm1      8.445 ppm2      6.397 CV     1
 OR { 1193}
   (( segid A    and resid 25   and name HN  ))
   (  segid A    and resid 56   and name HE% )
 ASSI { 1194}
   (( segid B    and resid 59   and name HN  ))
   (  segid B    and resid 56   and name HE% )
      3.200     1.300     1.300 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.14585E-02 ppm1      6.499 ppm2      6.406 CV     1
 OR { 1194}
   (( segid A    and resid 59   and name HN  ))
   (  segid A    and resid 56   and name HE% )
 ASSI { 1195}
   (( segid B    and resid 60   and name HN  ))
   (  segid B    and resid 56   and name HE% )
      3.800     1.800     1.800 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.61646E-03 ppm1      7.762 ppm2      6.414 CV     1
 OR { 1195}
   (( segid A    and resid 60   and name HN  ))
   (  segid A    and resid 56   and name HE% )
 ASSI { 1198}
   (( segid B    and resid 60   and name HN  ))
   (( segid B    and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.18384E-02 ppm1      7.765 ppm2      6.491 CV     1
 OR { 1198}
   (( segid A    and resid 60   and name HN  ))
   (( segid A    and resid 59   and name HN  ))
 ASSI { 1203}
   (( segid B    and resid 57   and name HN  ))
   (  segid B    and resid 56   and name HD% )
      3.400     1.500     1.500 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.10387E-02 ppm1      8.557 ppm2      6.541 CV     1
 OR { 1203}
   (( segid A    and resid 57   and name HN  ))
   (  segid A    and resid 56   and name HD% )
 ASSI { 1205}
   (( segid A    and resid 80   and name HE22))
   (( segid A    and resid 80   and name HE21))
      1.200     0.200     1.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.14198E+00 ppm1      6.844 ppm2      6.639 CV     1
 OR { 1205}
   (( segid B    and resid 80   and name HE22))
   (( segid B    and resid 80   and name HE21))
 ASSI { 1206}
   (( segid A    and resid 88   and name HN  ))
   (  segid A    and resid 21   and name HE% )
      4.500     2.500     1.500 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.44482E-03 ppm1      7.926 ppm2      6.667 CV     1
 OR { 1206}
   (( segid B    and resid 88   and name HN  ))
   (  segid B    and resid 21   and name HE% )
 ASSI { 1207}
   (( segid B    and resid 90   and name HN  ))
   (  segid B    and resid 21   and name HE% )
      3.200     3.200     2.800 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.51199E-03 ppm1      8.722 ppm2      6.676 CV     1
 OR { 1207}
   (( segid A    and resid 90   and name HN  ))
   (  segid A    and resid 21   and name HE% )
 ASSI { 1209}
   (( segid B    and resid 80   and name HE21))
   (  segid B    and resid 21   and name HD% )
      2.600     2.600     3.400 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.11393E-01 ppm1      6.649 ppm2      6.718 CV     1
 OR { 1209}
   (( segid A    and resid 80   and name HE21))
   (  segid A    and resid 21   and name HD% )
 ASSI { 1210}
   (( segid B    and resid 89   and name HN  ))
   (  segid B    and resid 21   and name HD% )
      3.600     1.600     1.600 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.10425E-02 ppm1      9.604 ppm2      6.727 CV     1
 OR { 1210}
   (( segid A    and resid 89   and name HN  ))
   (  segid A    and resid 21   and name HD% )
 ASSI { 1212}
   (( segid A    and resid 23   and name HN  ))
   (  segid A    and resid 21   and name HD% )
      3.400     1.500     1.500 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.96022E-03 ppm1      9.666 ppm2      6.732 CV     1
 OR { 1212}
   (( segid B    and resid 23   and name HN  ))
   (  segid B    and resid 21   and name HD% )
 ASSI { 1213}
   (( segid B    and resid 22   and name HN  ))
   (  segid B    and resid 21   and name HD% )
      3.400     1.400     1.400 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.19091E-02 ppm1      8.696 ppm2      6.733 CV     1
 OR { 1213}
   (( segid A    and resid 22   and name HN  ))
   (  segid A    and resid 21   and name HD% )
 ASSI { 1215}
   (( segid A    and resid 21   and name HN  ))
   (  segid A    and resid 21   and name HD% )
      3.200     1.300     1.300 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.99019E-03 ppm1      8.763 ppm2      6.736 CV     1
 OR { 1215}
   (( segid B    and resid 21   and name HN  ))
   (  segid B    and resid 21   and name HD% )
 ASSI { 1221}
   (( segid A    and resid 58   and name HE22))
   (( segid A    and resid 58   and name HE21))
      1.300     0.200     0.900 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.14145E+00 ppm1      7.536 ppm2      6.872 CV     1
 OR { 1221}
   (( segid B    and resid 58   and name HE22))
   (( segid B    and resid 58   and name HE21))
 ASSI { 1223}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 43   and name HN  ))
      4.000     2.000     2.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.52222E-03 ppm1      9.094 ppm2      6.890 CV     1
 OR { 1223}
   (( segid A    and resid 45   and name HN  ))
   (( segid A    and resid 43   and name HN  ))
 ASSI { 1224}
   (( segid A    and resid 42   and name HN  ))
   (( segid A    and resid 43   and name HN  ))
      3.500     1.600     1.600 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.63602E-03 ppm1      8.743 ppm2      6.906 CV     1
 OR { 1224}
   (( segid B    and resid 42   and name HN  ))
   (( segid B    and resid 43   and name HN  ))
 ASSI { 1225}
   (( segid A    and resid 87   and name HD22))
   (( segid A    and resid 87   and name HD21))
      1.300     0.200     0.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.91308E-01 ppm1      7.366 ppm2      6.908 CV     1
 OR { 1225}
   (( segid B    and resid 87   and name HD22))
   (( segid B    and resid 87   and name HD21))
 ASSI { 1226}
   (( segid A    and resid 42   and name HE22))
   (( segid A    and resid 43   and name HN  ))
      4.200     2.200     1.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.86145E-03 ppm1      7.697 ppm2      6.909 CV     1
 OR { 1226}
   (( segid B    and resid 42   and name HE22))
   (( segid B    and resid 43   and name HN  ))
 ASSI { 1227}
   (( segid B    and resid 42   and name HE21))
   (( segid B    and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.12509E-02 ppm1      7.044 ppm2      6.911 CV     1
 OR { 1227}
   (( segid A    and resid 42   and name HE21))
   (( segid A    and resid 43   and name HN  ))
 ASSI { 1228}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 87   and name HD21))
      3.900     1.900     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.38462E-03 ppm1      7.927 ppm2      6.913 CV     1
 OR { 1228}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 87   and name HD21))
 ASSI { 1229}
   (( segid B    and resid 44   and name HN  ))
   (( segid B    and resid 43   and name HN  ))
      3.000     1.100     1.100 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.17955E-02 ppm1      8.218 ppm2      6.915 CV     1
 OR { 1229}
   (( segid A    and resid 44   and name HN  ))
   (( segid A    and resid 43   and name HN  ))
 ASSI { 1236}
   (( segid A    and resid 42   and name HE22))
   (( segid A    and resid 42   and name HE21))
      1.600     0.300     0.600 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.35085E-01 ppm1      7.697 ppm2      7.044 CV     1
 OR { 1236}
   (( segid B    and resid 42   and name HE22))
   (( segid B    and resid 42   and name HE21))
 ASSI { 1238}
   (( segid B    and resid 64   and name HE1 ))
   (  segid B    and resid 62   and name HE% )
      3.900     1.900     1.900 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.49616E-03 ppm1     10.678 ppm2      7.072 CV     1
 OR { 1238}
   (( segid A    and resid 64   and name HE1 ))
   (  segid A    and resid 62   and name HE% )
 ASSI { 1239}
   (( segid B    and resid 63   and name HE22))
   (( segid B    and resid 63   and name HE21))
      3.300     3.300     2.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.41212E-03 ppm1      7.896 ppm2      7.079 CV     1
 OR { 1239}
   (( segid A    and resid 63   and name HE22))
   (( segid A    and resid 63   and name HE21))
 ASSI { 1242}
   (( segid A    and resid 105  and name HN  ))
   (( segid A    and resid 64   and name HZ3 ))
      3.200     3.200     2.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.53244E-03 ppm1      6.314 ppm2      7.106 CV     1
 OR { 1242}
   (( segid B    and resid 105  and name HN  ))
   (( segid B    and resid 64   and name HZ3 ))
 ASSI { 1244}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 29   and name HN  ))
      2.300     0.600     0.600 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.90279E-02 ppm1      8.317 ppm2      7.127 CV     1
 OR { 1244}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 29   and name HN  ))
 ASSI { 1246}
   (( segid B    and resid 77   and name HN  ))
   (( segid B    and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.38710E-02 ppm1      7.878 ppm2      7.155 CV     1
 OR { 1246}
   (( segid A    and resid 77   and name HN  ))
   (( segid A    and resid 78   and name HN  ))
 ASSI { 1248}
   (( segid A    and resid 64   and name HE1 ))
   (( segid A    and resid 64   and name HZ2 ))
      2.700     0.900     0.900 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.36317E-02 ppm1     10.666 ppm2      7.155 CV     1
 OR { 1248}
   (( segid B    and resid 64   and name HE1 ))
   (( segid B    and resid 64   and name HZ2 ))
 ASSI { 1250}
   (( segid A    and resid 44   and name HN  ))
   (( segid A    and resid 44   and name HD2 ))
      4.300     2.300     1.700 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.68454E-03 ppm1      8.229 ppm2      7.161 CV     1
 OR { 1250}
   (( segid B    and resid 44   and name HN  ))
   (( segid B    and resid 44   and name HD2 ))
 ASSI { 1251}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 47   and name HN  ))
      3.200     1.300     1.300 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.18289E-02 ppm1      9.094 ppm2      7.167 CV     1
 OR { 1251}
   (( segid A    and resid 45   and name HN  ))
   (( segid A    and resid 47   and name HN  ))
 ASSI { 1255}
   (( segid B    and resid 49   and name HN  ))
   (( segid B    and resid 47   and name HN  ))
      3.300     1.400     1.400 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.19560E-02 ppm1      7.550 ppm2      7.169 CV     1
 OR { 1255}
   (( segid A    and resid 49   and name HN  ))
   (( segid A    and resid 47   and name HN  ))
 ASSI { 1256}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 47   and name HN  ))
      2.400     0.700     0.700 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.56261E-02 ppm1      7.283 ppm2      7.170 CV     1
 OR { 1256}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 47   and name HN  ))
 ASSI { 1259}
   (( segid A    and resid 82   and name HN  ))
   (( segid A    and resid 85   and name HE1 ))
      3.900     1.900     1.900 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.87622E-03 ppm1      7.335 ppm2      7.200 CV     1
 OR { 1259}
   (( segid B    and resid 82   and name HN  ))
   (( segid B    and resid 85   and name HE1 ))
 ASSI { 1263}
   (( segid B    and resid 100  and name HN  ))
   (  segid B    and resid 101  and name HD% )
      4.100     2.100     1.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.44629E-03 ppm1     11.650 ppm2      7.248 CV     1
 OR { 1263}
   (( segid A    and resid 100  and name HN  ))
   (  segid A    and resid 101  and name HD% )
 ASSI { 1264}
   (( segid B    and resid 53   and name HN  ))
   (  segid B    and resid 101  and name HD% )
      4.100     2.100     1.900 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.49675E-03 ppm1      7.979 ppm2      7.253 CV     1
 OR { 1264}
   (( segid A    and resid 53   and name HN  ))
   (  segid A    and resid 101  and name HD% )
 ASSI { 1265}
   (( segid A    and resid 52   and name HN  ))
   (  segid A    and resid 101  and name HD% )
      3.800     1.800     1.800 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.56725E-03 ppm1      9.074 ppm2      7.254 CV     1
 OR { 1265}
   (( segid B    and resid 52   and name HN  ))
   (  segid B    and resid 101  and name HD% )
 ASSI { 1267}
   (( segid B    and resid 102  and name HN  ))
   (  segid B    and resid 101  and name HD% )
      3.600     1.600     1.600 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.10976E-02 ppm1      8.525 ppm2      7.257 CV     1
 OR { 1267}
   (( segid A    and resid 102  and name HN  ))
   (  segid A    and resid 101  and name HD% )
 ASSI { 1268}
   (( segid A    and resid 101  and name HN  ))
   (  segid A    and resid 101  and name HD% )
      3.200     1.300     1.300 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.14716E-02 ppm1      9.595 ppm2      7.259 CV     1
 OR { 1268}
   (( segid B    and resid 101  and name HN  ))
   (  segid B    and resid 101  and name HD% )
 ASSI { 1271}
   (( segid B    and resid 25   and name HN  ))
   (  segid B    and resid 61   and name HE% )
      4.300     2.300     1.700 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.48737E-03 ppm1      8.442 ppm2      7.266 CV     1
 OR { 1271}
   (( segid A    and resid 25   and name HN  ))
   (  segid A    and resid 61   and name HE% )
 ASSI { 1272}
   (( segid B    and resid 103  and name HN  ))
   (  segid B    and resid 101  and name HD% )
      3.900     1.900     1.900 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.59471E-03 ppm1      8.074 ppm2      7.267 CV     1
 OR { 1272}
   (( segid A    and resid 103  and name HN  ))
   (  segid A    and resid 101  and name HD% )
 ASSI { 1273}
   (( segid A    and resid 64   and name HE1 ))
   (  segid A    and resid 101  and name HD% )
      3.900     1.900     1.900 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.77500E-03 ppm1     10.656 ppm2      7.269 CV     1
 OR { 1273}
   (( segid B    and resid 64   and name HE1 ))
   (  segid B    and resid 101  and name HD% )
 ASSI { 1274}
   (( segid B    and resid 26   and name HN  ))
   (  segid B    and resid 61   and name HE% )
      3.500     1.500     1.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.17161E-02 ppm1      8.398 ppm2      7.271 CV     1
 OR { 1274}
   (( segid A    and resid 26   and name HN  ))
   (  segid A    and resid 61   and name HE% )
 ASSI { 1275}
   (( segid B    and resid 86   and name HN  ))
   (  segid B    and resid 61   and name HE% )
      3.100     1.200     1.200 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.72032E-03 ppm1      9.305 ppm2      7.273 CV     1
 OR { 1275}
   (( segid A    and resid 86   and name HN  ))
   (  segid A    and resid 61   and name HE% )
 ASSI { 1276}
   (( segid A    and resid 45   and name HN  ))
   (( segid A    and resid 46   and name HN  ))
      2.900     1.000     1.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.20765E-02 ppm1      9.093 ppm2      7.274 CV     1
 OR { 1276}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 46   and name HN  ))
 ASSI { 1279}
   (( segid B    and resid 85   and name HN  ))
   (  segid B    and resid 61   and name HE% )
      3.700     1.700     1.700 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.10395E-02 ppm1      8.309 ppm2      7.287 CV     1
 OR { 1279}
   (( segid A    and resid 85   and name HN  ))
   (  segid A    and resid 61   and name HE% )
 ASSI { 1280}
   (( segid B    and resid 83   and name HN  ))
   (( segid B    and resid 82   and name HN  ))
      3.500     1.600     1.600 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.69070E-03 ppm1      8.700 ppm2      7.321 CV     1
 OR { 1280}
   (( segid A    and resid 83   and name HN  ))
   (( segid A    and resid 82   and name HN  ))
 ASSI { 1281}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 82   and name HN  ))
      2.300     0.700     0.700 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.77572E-02 ppm1      7.029 ppm2      7.322 CV     1
 OR { 1281}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 82   and name HN  ))
 ASSI { 1285}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 87   and name HD22))
      5.000     3.100     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.52054E-03 ppm1      7.935 ppm2      7.361 CV     1
 OR { 1285}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 87   and name HD22))
 ASSI { 1288}
   (( segid B    and resid 72   and name HN  ))
   (( segid B    and resid 71   and name HN  ))
      2.300     0.600     0.600 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.57793E-02 ppm1      8.354 ppm2      7.409 CV     1
 OR { 1288}
   (( segid A    and resid 72   and name HN  ))
   (( segid A    and resid 71   and name HN  ))
 ASSI { 1289}
   (( segid A    and resid 73   and name HN  ))
   (( segid A    and resid 71   and name HN  ))
      3.200     1.300     1.300 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.16438E-02 ppm1      8.258 ppm2      7.409 CV     1
 OR { 1289}
   (( segid B    and resid 73   and name HN  ))
   (( segid B    and resid 71   and name HN  ))
 ASSI { 1291}
   (( segid B    and resid 42   and name HE22))
   (( segid B    and resid 104  and name HZ3 ))
      3.000     1.100     1.100 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.76405E-03 ppm1      7.696 ppm2      7.413 CV     1
 OR { 1291}
   (( segid A    and resid 42   and name HE22))
   (( segid A    and resid 104  and name HZ3 ))
 ASSI { 1292}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 71   and name HN  ))
      3.500     1.500     1.500 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.13173E-02 ppm1      9.457 ppm2      7.416 CV     1
 OR { 1292}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 71   and name HN  ))
 ASSI { 1293}
   (( segid A    and resid 104  and name HN  ))
   (( segid A    and resid 104  and name HZ3 ))
      4.200     2.200     1.800 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.65253E-03 ppm1      8.442 ppm2      7.418 CV     1
 OR { 1293}
   (( segid B    and resid 104  and name HN  ))
   (( segid B    and resid 104  and name HZ3 ))
 ASSI { 1294}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 68   and name HD2 ))
      3.300     1.300     1.300 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      8.336 ppm2      7.421 CV     1
 OR { 1294}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 68   and name HD2 ))
 ASSI { 1300}
   (( segid A    and resid 64   and name HE1 ))
   (( segid A    and resid 64   and name HH2 ))
      3.700     1.700     1.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.24448E-02 ppm1     10.663 ppm2      7.511 CV     1
 OR { 1300}
   (( segid B    and resid 64   and name HE1 ))
   (( segid B    and resid 64   and name HH2 ))
 ASSI { 1301}
   (( segid B    and resid 120  and name HN  ))
   (( segid B    and resid 118  and name HN  ))
      3.400     1.500     1.500 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.18254E-02 ppm1      7.720 ppm2      7.519 CV     1
 OR { 1301}
   (( segid A    and resid 120  and name HN  ))
   (( segid A    and resid 118  and name HN  ))
 ASSI { 1303}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 118  and name HN  ))
      3.000     1.100     1.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.17675E-02 ppm1      8.021 ppm2      7.521 CV     1
 OR { 1303}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 118  and name HN  ))
 ASSI { 1304}
   (( segid A    and resid 119  and name HN  ))
   (( segid A    and resid 118  and name HN  ))
      2.600     0.900     0.900 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.33353E-02 ppm1      7.858 ppm2      7.523 CV     1
 OR { 1304}
   (( segid B    and resid 119  and name HN  ))
   (( segid B    and resid 118  and name HN  ))
 ASSI { 1307}
   (( segid B    and resid 82   and name HN  ))
   (( segid B    and resid 85   and name HD2 ))
      3.400     1.500     1.500 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.13137E-02 ppm1      7.331 ppm2      7.535 CV     1
 OR { 1307}
   (( segid A    and resid 82   and name HN  ))
   (( segid A    and resid 85   and name HD2 ))
 ASSI {    8}
   (( segid B    and resid 85   and name HE2  ))
   (( segid B    and resid 88   and name HG1% ))
      3.400     1.500     1.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.13137E-02 ppm1      11.10 ppm2      0.11 CV     1
 OR {    8}
   (( segid A    and resid 85   and name HE2  ))
   (( segid A    and resid 88   and name HG1% ))
 ASSI {  224}
   (( segid B    and resid 85   and name HE2  ))
   (( segid B    and resid 501   and name HM8% ))
      3.400     1.500     1.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.13137E-02 ppm1      11.10 ppm2      1.32 CV     1
 OR {  224}
   (( segid A    and resid 85   and name HE2  ))
   (( segid A    and resid 501  and name HM8% ))
 ASSI { 1308}
   (( segid A    and resid 84   and name HN  ))
   (( segid A    and resid 85   and name HD2 ))
      3.700     1.700     1.700 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.71104E-03 ppm1      9.620 ppm2      7.535 CV     1
 OR { 1308}
   (( segid B    and resid 84   and name HN  ))
   (( segid B    and resid 85   and name HD2 ))
 ASSI { 1309}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 85   and name HD2 ))
      2.600     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.16337E-01 ppm1      8.306 ppm2      7.536 CV     1
 OR { 1309}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 85   and name HD2 ))
 ASSI { 1311}
   (( segid B    and resid 48   and name HN  ))
   (( segid B    and resid 49   and name HN  ))
      2.400     0.700     0.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.49321E-02 ppm1      8.168 ppm2      7.544 CV     1
 OR { 1311}
   (( segid A    and resid 48   and name HN  ))
   (( segid A    and resid 49   and name HN  ))
 ASSI { 1317}
   (( segid A    and resid 49   and name HE21))
   (( segid A    and resid 49   and name HE22))
      1.300     0.200     0.900 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.11912E+00 ppm1      6.853 ppm2      7.563 CV     1
 OR { 1317}
   (( segid B    and resid 49   and name HE21))
   (( segid B    and resid 49   and name HE22))
 ASSI { 1320}
   (( segid B    and resid 77   and name HN  ))
   (( segid B    and resid 75   and name HN  ))
      3.600     1.600     1.600 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.78846E-03 ppm1      7.877 ppm2      7.642 CV     1
 OR { 1320}
   (( segid A    and resid 77   and name HN  ))
   (( segid A    and resid 75   and name HN  ))
 ASSI { 1321}
   (( segid B    and resid 76   and name HN  ))
   (( segid B    and resid 75   and name HN  ))
      2.900     1.000     1.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.21969E-02 ppm1      8.498 ppm2      7.644 CV     1
 OR { 1321}
   (( segid A    and resid 76   and name HN  ))
   (( segid A    and resid 75   and name HN  ))
 ASSI { 1326}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 34   and name HN  ))
      2.200     0.600     0.600 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.94700E-02 ppm1      7.747 ppm2      7.658 CV     1
 OR { 1326}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 34   and name HN  ))
 ASSI { 1330}
   (( segid B    and resid 26   and name HN  ))
   (  segid B    and resid 61   and name HD% )
      4.100     2.100     1.900 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.73976E-03 ppm1      8.396 ppm2      7.711 CV     1
 OR { 1330}
   (( segid A    and resid 26   and name HN  ))
   (  segid A    and resid 61   and name HD% )
 ASSI { 1332}
   (( segid B    and resid 23   and name HN  ))
   (  segid B    and resid 61   and name HD% )
      3.900     1.900     1.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.64266E-03 ppm1      9.671 ppm2      7.716 CV     1
 OR { 1332}
   (( segid A    and resid 23   and name HN  ))
   (  segid A    and resid 61   and name HD% )
 ASSI { 1334}
   (( segid A    and resid 86   and name HN  ))
   (  segid A    and resid 61   and name HD% )
      3.400     1.400     1.400 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.88215E-03 ppm1      9.305 ppm2      7.717 CV     1
 OR { 1334}
   (( segid B    and resid 86   and name HN  ))
   (  segid B    and resid 61   and name HD% )
 ASSI { 1336}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 92   and name HN  ))
      3.700     1.700     1.700 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.16653E-02 ppm1      8.443 ppm2      7.723 CV     1
 OR { 1336}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 92   and name HN  ))
 ASSI { 1339}
   (( segid B    and resid 75   and name HN  ))
   (( segid B    and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.41186E-02 ppm1      7.655 ppm2      7.727 CV     1
 OR { 1339}
   (( segid A    and resid 75   and name HN  ))
   (( segid A    and resid 74   and name HN  ))
 ASSI { 1340}
   (( segid A    and resid 78   and name HN  ))
   (( segid A    and resid 74   and name HN  ))
      3.300     3.300     2.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.46877E-03 ppm1      7.153 ppm2      7.730 CV     1
 OR { 1340}
   (( segid B    and resid 78   and name HN  ))
   (( segid B    and resid 74   and name HN  ))
 ASSI { 1341}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 74   and name HN  ))
      3.900     1.900     1.900 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.56721E-03 ppm1      7.414 ppm2      7.733 CV     1
 OR { 1341}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 74   and name HN  ))
 ASSI { 1342}
   (( segid A    and resid 121  and name HN  ))
   (( segid A    and resid 120  and name HN  ))
      2.500     0.800     0.800 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.47926E-02 ppm1      8.061 ppm2      7.734 CV     1
 OR { 1342}
   (( segid B    and resid 121  and name HN  ))
   (( segid B    and resid 120  and name HN  ))
 ASSI { 1343}
   (( segid B    and resid 73   and name HN  ))
   (( segid B    and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.52745E-02 ppm1      8.260 ppm2      7.737 CV     1
 OR { 1343}
   (( segid A    and resid 73   and name HN  ))
   (( segid A    and resid 74   and name HN  ))
 ASSI { 1346}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 60   and name HN  ))
      4.100     2.100     1.900 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.51465E-03 ppm1      8.451 ppm2      7.740 CV     1
 OR { 1346}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 60   and name HN  ))
 ASSI { 1349}
   (( segid B    and resid 57   and name HN  ))
   (( segid B    and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.14040E-02 ppm1      8.556 ppm2      7.751 CV     1
 OR { 1349}
   (( segid A    and resid 57   and name HN  ))
   (( segid A    and resid 60   and name HN  ))
 ASSI { 1350}
   (( segid A    and resid 30   and name HN  ))
   (( segid A    and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.56933E-03 ppm1      9.302 ppm2      7.752 CV     1
 OR { 1350}
   (( segid B    and resid 30   and name HN  ))
   (( segid B    and resid 33   and name HN  ))
 ASSI { 1353}
   (( segid B    and resid 58   and name HN  ))
   (( segid B    and resid 60   and name HN  ))
      4.200     2.200     1.800 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.37830E-03 ppm1      9.288 ppm2      7.770 CV     1
 OR { 1353}
   (( segid A    and resid 58   and name HN  ))
   (( segid A    and resid 60   and name HN  ))
 ASSI { 1354}
   (( segid A    and resid 105  and name HN  ))
   (( segid A    and resid 54   and name HN  ))
      3.900     1.900     1.900 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.55406E-03 ppm1      6.317 ppm2      7.772 CV     1
 OR { 1354}
   (( segid B    and resid 105  and name HN  ))
   (( segid B    and resid 54   and name HN  ))
 ASSI { 1359}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 114  and name HN  ))
      3.500     1.500     1.500 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.11816E-02 ppm1      8.054 ppm2      7.784 CV     1
 OR { 1359}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 114  and name HN  ))
 ASSI { 1364}
   (( segid A    and resid 40   and name HN  ))
   (( segid A    and resid 41   and name HN  ))
      2.900     1.100     1.100 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.17406E-02 ppm1      8.087 ppm2      7.794 CV     1
 OR { 1364}
   (( segid B    and resid 40   and name HN  ))
   (( segid B    and resid 41   and name HN  ))
 ASSI { 1370}
   (( segid A    and resid 38   and name HN  ))
   (( segid A    and resid 41   and name HN  ))
      3.700     1.700     1.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.79791E-03 ppm1      8.440 ppm2      7.804 CV     1
 OR { 1370}
   (( segid B    and resid 38   and name HN  ))
   (( segid B    and resid 41   and name HN  ))
 ASSI { 1372}
   (( segid B    and resid 120  and name HN  ))
   (( segid B    and resid 119  and name HN  ))
      2.300     0.700     0.700 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.60216E-02 ppm1      7.720 ppm2      7.848 CV     1
 OR { 1372}
   (( segid A    and resid 120  and name HN  ))
   (( segid A    and resid 119  and name HN  ))
 ASSI { 1374}
   (( segid B    and resid 97   and name HN  ))
   (( segid B    and resid 96   and name HN  ))
      4.200     2.200     1.800 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.46224E-03 ppm1      8.587 ppm2      7.851 CV     1
 OR { 1374}
   (( segid A    and resid 97   and name HN  ))
   (( segid A    and resid 96   and name HN  ))
 ASSI { 1375}
   (( segid A    and resid 114  and name HN  ))
   (( segid A    and resid 115  and name HN  ))
      2.600     0.800     0.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.50379E-02 ppm1      7.792 ppm2      7.853 CV     1
 OR { 1375}
   (( segid B    and resid 114  and name HN  ))
   (( segid B    and resid 115  and name HN  ))
 ASSI { 1376}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 96   and name HN  ))
      4.100     2.100     1.900 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.65445E-03 ppm1      7.371 ppm2      7.854 CV     1
 OR { 1376}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 96   and name HN  ))
 ASSI { 1377}
   (( segid A    and resid 121  and name HN  ))
   (( segid A    and resid 119  and name HN  ))
      3.700     1.700     1.700 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.14242E-02 ppm1      8.059 ppm2      7.858 CV     1
 OR { 1377}
   (( segid B    and resid 121  and name HN  ))
   (( segid B    and resid 119  and name HN  ))
 ASSI { 1379}
   (( segid A    and resid 95   and name HN  ))
   (( segid A    and resid 96   and name HN  ))
      3.800     1.800     1.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.10592E-02 ppm1      8.769 ppm2      7.860 CV     1
 OR { 1379}
   (( segid B    and resid 95   and name HN  ))
   (( segid B    and resid 96   and name HN  ))
 ASSI { 1380}
   (( segid A    and resid 116  and name HN  ))
   (( segid A    and resid 115  and name HN  ))
      2.900     1.100     1.100 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.21431E-02 ppm1      8.052 ppm2      7.862 CV     1
 OR { 1380}
   (( segid B    and resid 116  and name HN  ))
   (( segid B    and resid 115  and name HN  ))
 ASSI { 1384}
   (( segid A    and resid 117  and name HN  ))
   (( segid A    and resid 115  and name HN  ))
      3.700     1.700     1.700 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.11174E-02 ppm1      8.017 ppm2      7.867 CV     1
 OR { 1384}
   (( segid B    and resid 117  and name HN  ))
   (( segid B    and resid 115  and name HN  ))
 ASSI { 1387}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 96   and name HN  ))
      2.900     1.100     1.100 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.16291E-02 ppm1      8.089 ppm2      7.881 CV     1
 OR { 1387}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 96   and name HN  ))
 ASSI { 1393}
   (( segid A    and resid 22   and name HE  ))
   (( segid A    and resid 88   and name HN))
      4.700     2.700     1.300 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.40960E-03 ppm1      7.268 ppm2      7.897 CV     1
 OR { 1393}
   (( segid B    and resid 22   and name HE  ))
   (( segid B    and resid 88   and name HN))
 ASSI { 1401}
   (( segid B    and resid 84   and name HE  ))
   (( segid B    and resid 501  and name H9  ))
      4.100     2.100     1.900 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.43742E-03 ppm1      9.077 ppm2      7.983 CV     1
 OR { 1401}
   (( segid A    and resid 84   and name HE  ))
   (( segid A    and resid 501  and name H9  ))
 ASSI { 1406}
   (( segid A    and resid 119  and name HN  ))
   (( segid A    and resid 117  and name HN  ))
      3.900     1.900     1.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.77625E-03 ppm1      7.855 ppm2      7.998 CV     1
 OR { 1406}
   (( segid B    and resid 119  and name HN  ))
   (( segid B    and resid 117  and name HN  ))
 ASSI { 1414}
   (( segid A    and resid 122  and name HN  ))
   (( segid A    and resid 121  and name HN  ))
      2.800     1.000     1.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.29096E-02 ppm1      8.330 ppm2      8.053 CV     1
 OR { 1414}
   (( segid B    and resid 122  and name HN  ))
   (( segid B    and resid 121  and name HN  ))
 ASSI { 1417}
   (( segid B    and resid 104  and name HN  ))
   (( segid B    and resid 103  and name HN  ))
      3.500     1.600     1.600 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.15355E-02 ppm1      8.440 ppm2      8.067 CV     1
 OR { 1417}
   (( segid A    and resid 104  and name HN  ))
   (( segid A    and resid 103  and name HN  ))
 ASSI { 1418}
   (( segid B    and resid 102  and name HN  ))
   (( segid B    and resid 103  and name HN  ))
      3.000     1.100     1.100 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.19244E-02 ppm1      8.525 ppm2      8.071 CV     1
 OR { 1418}
   (( segid A    and resid 102  and name HN  ))
   (( segid A    and resid 103  and name HN  ))
 ASSI { 1420}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.99983E-03 ppm1      8.796 ppm2      8.078 CV     1
 OR { 1420}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 40   and name HN  ))
 ASSI { 1426}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 16   and name HN  ))
      2.200     0.600     0.600 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.11166E-01 ppm1      8.340 ppm2      8.090 CV     1
 OR { 1426}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 16   and name HN  ))
 ASSI { 1428}
   (( segid A    and resid 10   and name HN  ))
   (( segid A    and resid 9    and name HN  ))
      2.200     0.600     0.600 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.10453E-01 ppm1      8.314 ppm2      8.106 CV     1
 OR { 1428}
   (( segid B    and resid 10   and name HN  ))
   (( segid B    and resid 9    and name HN  ))
 ASSI { 1429}
   (( segid A    and resid 8    and name HN  ))
   (( segid A    and resid 9    and name HN  ))
      2.400     2.400     3.600 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.97859E-02 ppm1      8.267 ppm2      8.117 CV     1
 OR { 1429}
   (( segid B    and resid 8    and name HN  ))
   (( segid B    and resid 9    and name HN  ))
 ASSI { 1432}
   (( segid B    and resid 114  and name HN  ))
   (( segid B    and resid 113  and name HN  ))
      3.100     1.200     1.200 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.18479E-02 ppm1      7.792 ppm2      8.151 CV     1
 OR { 1432}
   (( segid A    and resid 114  and name HN  ))
   (( segid A    and resid 113  and name HN  ))
 ASSI { 1436}
   (( segid A    and resid 47   and name HN  ))
   (( segid A    and resid 48   and name HN  ))
      2.200     0.600     0.600 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.93557E-02 ppm1      7.173 ppm2      8.157 CV     1
 OR { 1436}
   (( segid B    and resid 47   and name HN  ))
   (( segid B    and resid 48   and name HN  ))
 ASSI { 1438}
   (( segid A    and resid 50   and name HN  ))
   (( segid A    and resid 48   and name HN  ))
      3.800     1.800     1.800 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.89854E-03 ppm1      8.994 ppm2      8.158 CV     1
 OR { 1438}
   (( segid B    and resid 50   and name HN  ))
   (( segid B    and resid 48   and name HN  ))
 ASSI { 1439}
   (( segid B    and resid 46   and name HN  ))
   (( segid B    and resid 48   and name HN  ))
      3.400     1.500     1.500 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.12909E-02 ppm1      7.283 ppm2      8.162 CV     1
 OR { 1439}
   (( segid A    and resid 46   and name HN  ))
   (( segid A    and resid 48   and name HN  ))
 ASSI { 1443}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 32   and name HN  ))
      2.600     0.800     0.800 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.47443E-02 ppm1      7.753 ppm2      8.196 CV     1
 OR { 1443}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 32   and name HN  ))
 ASSI { 1444}
   (( segid A    and resid 45   and name HN  ))
   (( segid A    and resid 44   and name HN  ))
      2.800     1.000     1.000 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.24840E-02 ppm1      9.092 ppm2      8.197 CV     1
 OR { 1444}
   (( segid B    and resid 45   and name HN  ))
   (( segid B    and resid 44   and name HN  ))
 ASSI { 1445}
   (( segid A    and resid 15   and name HN  ))
   (( segid A    and resid 14   and name HN  ))
      2.800     1.000     1.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.27958E-02 ppm1      8.335 ppm2      8.197 CV     1
 OR { 1445}
   (( segid B    and resid 15   and name HN  ))
   (( segid B    and resid 14   and name HN  ))
 ASSI { 1452}
   (( segid B    and resid 72   and name HN  ))
   (( segid B    and resid 73   and name HN  ))
      2.300     0.600     0.600 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.56793E-02 ppm1      8.356 ppm2      8.258 CV     1
 OR { 1452}
   (( segid A    and resid 72   and name HN  ))
   (( segid A    and resid 73   and name HN  ))
 ASSI { 1455}
   (( segid B    and resid 83   and name HN  ))
   (( segid B    and resid 85   and name HN  ))
      3.900     1.900     1.900 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.77883E-03 ppm1      8.708 ppm2      8.294 CV     1
 OR { 1455}
   (( segid A    and resid 83   and name HN  ))
   (( segid A    and resid 85   and name HN  ))
 ASSI { 1471}
   (( segid B    and resid 125  and name HN  ))
   (( segid B    and resid 124  and name HN  ))
      2.900     1.000     1.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.35906E-02 ppm1      7.989 ppm2      8.337 CV     1
 OR { 1471}
   (( segid A    and resid 125  and name HN  ))
   (( segid A    and resid 124  and name HN  ))
 ASSI { 1476}
   (( segid A    and resid 28   and name HN  ))
   (( segid A    and resid 26   and name HN  ))
      3.300     1.400     1.400 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.29176E-02 ppm1      8.317 ppm2      8.386 CV     1
 OR { 1476}
   (( segid B    and resid 28   and name HN  ))
   (( segid B    and resid 26   and name HN  ))
 ASSI { 1477}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 26   and name HN  ))
      3.000     1.200     1.200 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.32996E-02 ppm1      8.305 ppm2      8.387 CV     1
 OR { 1477}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 26   and name HN  ))
 ASSI { 1482}
   (( segid A    and resid 39   and name HN  ))
   (( segid A    and resid 38   and name HN  ))
      3.200     1.300     1.300 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      8.798 ppm2      8.432 CV     1
 OR { 1482}
   (( segid B    and resid 39   and name HN  ))
   (( segid B    and resid 38   and name HN  ))
 ASSI { 1483}
   (( segid A    and resid 80   and name HE22))
   (( segid A    and resid 80   and name HN  ))
      3.100     1.200     1.200 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.61125E-03 ppm1      6.846 ppm2      8.434 CV     1
 OR { 1483}
   (( segid B    and resid 80   and name HE22))
   (( segid B    and resid 80   and name HN  ))
 ASSI { 1485}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 80   and name HN  ))
      2.600     0.800     0.800 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.33444E-02 ppm1      7.028 ppm2      8.437 CV     1
 OR { 1485}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 80   and name HN  ))
 ASSI { 1487}
   (( segid A    and resid 105  and name HN  ))
   (( segid A    and resid 104  and name HN  ))
      4.600     2.700     1.400 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.41282E-03 ppm1      6.312 ppm2      8.438 CV     1
 OR { 1487}
   (( segid B    and resid 105  and name HN  ))
   (( segid B    and resid 104  and name HN  ))
 ASSI { 1493}
   (( segid B    and resid 82   and name HN  ))
   (( segid B    and resid 80   and name HN  ))
      3.900     1.900     1.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.66767E-03 ppm1      7.333 ppm2      8.444 CV     1
 OR { 1493}
   (( segid A    and resid 82   and name HN  ))
   (( segid A    and resid 80   and name HN  ))
 ASSI { 1494}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.27888E-02 ppm1      7.892 ppm2      8.445 CV     1
 OR { 1494}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 38   and name HN  ))
 ASSI { 1498}
   (( segid B    and resid 78   and name HN  ))
   (( segid B    and resid 80   and name HN  ))
      3.500     1.600     1.600 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.11839E-02 ppm1      7.158 ppm2      8.450 CV     1
 OR { 1498}
   (( segid A    and resid 78   and name HN  ))
   (( segid A    and resid 80   and name HN  ))
 ASSI { 1500}
   (( segid B    and resid 77   and name HN  ))
   (( segid B    and resid 76   and name HN  ))
      2.500     0.800     0.800 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.39584E-02 ppm1      7.878 ppm2      8.491 CV     1
 OR { 1500}
   (( segid A    and resid 77   and name HN  ))
   (( segid A    and resid 76   and name HN  ))
 ASSI { 1501}
   (( segid B    and resid 74   and name HN  ))
   (( segid B    and resid 76   and name HN  ))
      3.700     1.700     1.700 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.79989E-03 ppm1      7.744 ppm2      8.491 CV     1
 OR { 1501}
   (( segid A    and resid 74   and name HN  ))
   (( segid A    and resid 76   and name HN  ))
 ASSI { 1503}
   (( segid B    and resid 101  and name HN  ))
   (( segid B    and resid 102  and name HN  ))
      3.700     1.800     1.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.46892E-03 ppm1      9.594 ppm2      8.504 CV     1
 OR { 1503}
   (( segid A    and resid 101  and name HN  ))
   (( segid A    and resid 102  and name HN  ))
 ASSI { 1504}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.19592E-02 ppm1      7.370 ppm2      8.510 CV     1
 OR { 1504}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 99   and name HN  ))
 ASSI { 1509}
   (( segid A    and resid 81   and name HN  ))
   (( segid A    and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.59767E-03 ppm1      7.027 ppm2      8.555 CV     1
 OR { 1509}
   (( segid B    and resid 81   and name HN  ))
   (( segid B    and resid 79   and name HN  ))
 ASSI { 1510}
   (( segid A    and resid 78   and name HN  ))
   (( segid A    and resid 79   and name HN  ))
      2.400     0.700     0.700 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.44846E-02 ppm1      7.158 ppm2      8.557 CV     1
 OR { 1510}
   (( segid B    and resid 78   and name HN  ))
   (( segid B    and resid 79   and name HN  ))
 ASSI { 1511}
   (( segid B    and resid 80   and name HN  ))
   (( segid B    and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.22205E-02 ppm1      8.443 ppm2      8.559 CV     1
 OR { 1511}
   (( segid A    and resid 80   and name HN  ))
   (( segid A    and resid 79   and name HN  ))
 ASSI { 1512}
   (( segid A    and resid 37   and name HN  ))
   (( segid A    and resid 36   and name HN  ))
      2.800     1.000     1.000 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.23331E-02 ppm1      7.895 ppm2      8.565 CV     1
 OR { 1512}
   (( segid B    and resid 37   and name HN  ))
   (( segid B    and resid 36   and name HN  ))
 ASSI { 1514}
   (( segid B    and resid 38   and name HN  ))
   (( segid B    and resid 36   and name HN  ))
      3.800     1.800     1.800 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.82800E-03 ppm1      8.440 ppm2      8.570 CV     1
 OR { 1514}
   (( segid A    and resid 38   and name HN  ))
   (( segid A    and resid 36   and name HN  ))
 ASSI { 1515}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 67   and name HN  ))
      4.100     2.100     1.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.64685E-03 ppm1      9.456 ppm2      8.571 CV     1
 OR { 1515}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 67   and name HN  ))
 ASSI { 1516}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 35   and name HN  ))
      3.800     1.800     1.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.82998E-03 ppm1      7.753 ppm2      8.575 CV     1
 OR { 1516}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 35   and name HN  ))
 ASSI { 1517}
   (( segid B    and resid 98   and name HN  ))
   (( segid B    and resid 97   and name HN  ))
      2.300     0.700     0.700 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.61059E-02 ppm1      7.370 ppm2      8.579 CV     1
 OR { 1517}
   (( segid A    and resid 98   and name HN  ))
   (( segid A    and resid 97   and name HN  ))
 ASSI { 1519}
   (( segid B    and resid 17   and name HN  ))
   (( segid B    and resid 67   and name HN  ))
      2.500     0.800     0.800 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      9.113 ppm2      8.580 CV     1
 OR { 1519}
   (( segid A    and resid 17   and name HN  ))
   (( segid A    and resid 67   and name HN  ))
 ASSI { 1522}
   (( segid A    and resid 34   and name HN  ))
   (( segid A    and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.13009E-02 ppm1      7.662 ppm2      8.593 CV     1
 OR { 1522}
   (( segid B    and resid 34   and name HN  ))
   (( segid B    and resid 35   and name HN  ))
 ASSI { 1526}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 22   and name HN  ))
      2.900     2.900     3.100 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.10206E-02 ppm1      7.735 ppm2      8.689 CV     1
 OR { 1526}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 22   and name HN  ))
 ASSI { 1530}
   (( segid A    and resid 89   and name HN  ))
   (( segid A    and resid 90   and name HN  ))
      3.500     1.500     1.500 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.10120E-02 ppm1      9.608 ppm2      8.696 CV     1
 OR { 1530}
   (( segid B    and resid 89   and name HN  ))
   (( segid B    and resid 90   and name HN  ))
 ASSI { 1532}
   (( segid A    and resid 80   and name HE22))
   (( segid A    and resid 90   and name HN  ))
      4.300     2.300     1.700 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.48198E-03 ppm1      6.844 ppm2      8.706 CV     1
 OR { 1532}
   (( segid B    and resid 80   and name HE22))
   (( segid B    and resid 90   and name HN  ))
 ASSI { 1533}
   (( segid B    and resid 18   and name HN  ))
   (( segid B    and resid 94   and name HN  ))
      2.800     1.000     1.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.22828E-02 ppm1      9.025 ppm2      8.707 CV     1
 OR { 1533}
   (( segid A    and resid 18   and name HN  ))
   (( segid A    and resid 94   and name HN  ))
 ASSI { 1534}
   (( segid A    and resid 93   and name HN  ))
   (( segid A    and resid 94   and name HN  ))
      3.200     1.300     1.300 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.22235E-02 ppm1      8.443 ppm2      8.715 CV     1
 OR { 1534}
   (( segid B    and resid 93   and name HN  ))
   (( segid B    and resid 94   and name HN  ))
 ASSI { 1537}
   (( segid A    and resid 41   and name HN  ))
   (( segid A    and resid 42   and name HN  ))
      3.100     1.200     1.200 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.12661E-02 ppm1      7.806 ppm2      8.732 CV     1
 OR { 1537}
   (( segid B    and resid 41   and name HN  ))
   (( segid B    and resid 42   and name HN  ))
 ASSI { 1538}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 61   and name HN  ))
      3.500     1.600     1.600 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.91625E-03 ppm1      8.447 ppm2      8.734 CV     1
 OR { 1538}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 61   and name HN  ))
 ASSI { 1539}
   (( segid B    and resid 23   and name HN  ))
   (( segid B    and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.17321E-02 ppm1      9.673 ppm2      8.740 CV     1
 OR { 1539}
   (( segid A    and resid 23   and name HN  ))
   (( segid A    and resid 61   and name HN  ))
 ASSI { 1541}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.33393E-02 ppm1      7.733 ppm2      8.751 CV     1
 OR { 1541}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 20   and name HN  ))
 ASSI { 1549}
   (( segid A    and resid 41   and name HN  ))
   (( segid A    and resid 39   and name HN  ))
      3.700     1.700     1.700 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.68514E-03 ppm1      7.805 ppm2      8.789 CV     1
 OR { 1549}
   (( segid B    and resid 41   and name HN  ))
   (( segid B    and resid 39   and name HN  ))
 ASSI { 1553}
   (( segid A    and resid 25   and name HN  ))
   (( segid A    and resid 24   and name HN  ))
      3.200     1.300     1.300 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.10884E-02 ppm1      8.444 ppm2      8.811 CV     1
 OR { 1553}
   (( segid B    and resid 25   and name HN  ))
   (( segid B    and resid 24   and name HN  ))
 ASSI { 1554}
   (( segid A    and resid 89   and name HN  ))
   (( segid A    and resid 24   and name HN  ))
      3.500     1.500     1.500 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.34609E-03 ppm1      9.607 ppm2      8.819 CV     1
 OR { 1554}
   (( segid B    and resid 89   and name HN  ))
   (( segid B    and resid 24   and name HN  ))
 ASSI { 1555}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 24   and name HN  ))
      3.700     1.700     1.700 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.61825E-03 ppm1      7.933 ppm2      8.826 CV     1
 OR { 1555}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 24   and name HN  ))
 ASSI { 1556}
   (( segid A    and resid 86   and name HN  ))
   (( segid A    and resid 24   and name HN  ))
      3.100     1.200     1.200 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.16896E-02 ppm1      9.305 ppm2      8.831 CV     1
 OR { 1556}
   (( segid B    and resid 86   and name HN  ))
   (( segid B    and resid 24   and name HN  ))
 ASSI { 1557}
   (( segid A    and resid 30   and name HN  ))
   (( segid A    and resid 31   and name HN  ))
      4.100     2.100     1.900 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.34441E-03 ppm1      9.314 ppm2      8.842 CV     1
 OR { 1557}
   (( segid B    and resid 30   and name HN  ))
   (( segid B    and resid 31   and name HN  ))
 ASSI { 1559}
   (( segid B    and resid 32   and name HN  ))
   (( segid B    and resid 31   and name HN  ))
      3.000     1.100     1.100 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.19603E-02 ppm1      8.205 ppm2      8.855 CV     1
 OR { 1559}
   (( segid A    and resid 32   and name HN  ))
   (( segid A    and resid 31   and name HN  ))
 ASSI { 1560}
   (( segid B    and resid 33   and name HN  ))
   (( segid B    and resid 31   and name HN  ))
      3.700     1.700     1.700 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.77595E-03 ppm1      7.753 ppm2      8.856 CV     1
 OR { 1560}
   (( segid A    and resid 33   and name HN  ))
   (( segid A    and resid 31   and name HN  ))
 ASSI { 1564}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.11290E-02 ppm1      8.777 ppm2      8.909 CV     1
 OR { 1564}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 66   and name HN  ))
 ASSI { 1566}
   (( segid B    and resid 87   and name HD21))
   (( segid B    and resid 87   and name HN  ))
      3.600     1.600     1.600 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.43325E-03 ppm1      6.921 ppm2      8.916 CV     1
 OR { 1566}
   (( segid A    and resid 87   and name HD21))
   (( segid A    and resid 87   and name HN  ))
 ASSI { 1567}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 87   and name HN  ))
      2.400     0.700     0.700 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.48083E-02 ppm1      7.933 ppm2      8.919 CV     1
 OR { 1567}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 87   and name HN  ))
 ASSI { 1569}
   (( segid A    and resid 87   and name HD22))
   (( segid A    and resid 87   and name HN  ))
      4.900     3.000     1.100 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.49409E-03 ppm1      7.372 ppm2      8.926 CV     1
 OR { 1569}
   (( segid B    and resid 87   and name HD22))
   (( segid B    and resid 87   and name HN  ))
 ASSI { 1574}
   (( segid B    and resid 51   and name HN  ))
   (( segid B    and resid 50   and name HN  ))
      3.900     1.900     1.900 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.96740E-03 ppm1      8.781 ppm2      8.991 CV     1
 OR { 1574}
   (( segid A    and resid 51   and name HN  ))
   (( segid A    and resid 50   and name HN  ))
 ASSI { 1575}
   (( segid A    and resid 49   and name HN  ))
   (( segid A    and resid 50   and name HN  ))
      2.500     0.800     0.800 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.58871E-02 ppm1      7.551 ppm2      8.991 CV     1
 OR { 1575}
   (( segid B    and resid 49   and name HN  ))
   (( segid B    and resid 50   and name HN  ))
 ASSI { 1576}
   (( segid A    and resid 19   and name HN  ))
   (( segid A    and resid 18   and name HN  ))
      4.200     2.200     1.800 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.61149E-03 ppm1      9.419 ppm2      9.007 CV     1
 OR { 1576}
   (( segid B    and resid 19   and name HN  ))
   (( segid B    and resid 18   and name HN  ))
 ASSI { 1578}
   (( segid A    and resid 96   and name HN  ))
   (( segid A    and resid 18   and name HN  ))
      3.700     1.700     1.700 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      7.867 ppm2      9.021 CV     1
 OR { 1578}
   (( segid B    and resid 96   and name HN  ))
   (( segid B    and resid 18   and name HN  ))
 ASSI { 1582}
   (( segid A    and resid 103  and name HN  ))
   (( segid A    and resid 52   and name HN  ))
      4.200     2.200     1.800 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.37592E-03 ppm1      8.065 ppm2      9.067 CV     1
 OR { 1582}
   (( segid B    and resid 103  and name HN  ))
   (( segid B    and resid 52   and name HN  ))
 ASSI { 1586}
   (( segid A    and resid 84   and name HN  ))
   (( segid A    and resid 84   and name HE  ))
      3.700     1.700     1.700 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.90698E-03 ppm1      9.603 ppm2      9.080 CV     1
 OR { 1586}
   (( segid B    and resid 84   and name HN  ))
   (( segid B    and resid 84   and name HE  ))
 ASSI { 1590}
   (( segid A    and resid 16   and name HN  ))
   (( segid A    and resid 17   and name HN  ))
      3.600     1.600     1.600 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.22707E-02 ppm1      8.095 ppm2      9.098 CV     1
 OR { 1590}
   (( segid B    and resid 16   and name HN  ))
   (( segid B    and resid 17   and name HN  ))
 ASSI { 1592}
   (( segid A    and resid 68   and name HN  ))
   (( segid A    and resid 17   and name HN  ))
      4.200     2.200     1.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.50343E-03 ppm1      9.445 ppm2      9.107 CV     1
 OR { 1592}
   (( segid B    and resid 68   and name HN  ))
   (( segid B    and resid 17   and name HN  ))
 ASSI { 1594}
   (( segid B    and resid 59   and name HN  ))
   (( segid B    and resid 58   and name HN  ))
      3.500     1.500     1.500 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.96537E-03 ppm1      6.496 ppm2      9.275 CV     1
 OR { 1594}
   (( segid A    and resid 59   and name HN  ))
   (( segid A    and resid 58   and name HN  ))
 ASSI { 1595}
   (( segid B    and resid 57   and name HN  ))
   (( segid B    and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.37426E-03 ppm1      8.552 ppm2      9.285 CV     1
 OR { 1595}
   (( segid A    and resid 57   and name HN  ))
   (( segid A    and resid 58   and name HN  ))
 ASSI { 1596}
   (( segid A    and resid 29   and name HN  ))
   (( segid A    and resid 30   and name HN  ))
      3.400     1.400     1.400 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.96770E-03 ppm1      7.128 ppm2      9.297 CV     1
 OR { 1596}
   (( segid B    and resid 29   and name HN  ))
   (( segid B    and resid 30   and name HN  ))
 ASSI { 1597}
   (( segid A    and resid 87   and name HN  ))
   (( segid A    and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.47410E-03 ppm1      8.924 ppm2      9.303 CV     1
 OR { 1597}
   (( segid B    and resid 87   and name HN  ))
   (( segid B    and resid 86   and name HN  ))
 ASSI { 1598}
   (( segid B    and resid 26   and name HN  ))
   (( segid B    and resid 86   and name HN  ))
      3.300     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.90931E-03 ppm1      8.402 ppm2      9.305 CV     1
 OR { 1598}
   (( segid A    and resid 26   and name HN  ))
   (( segid A    and resid 86   and name HN  ))
 ASSI { 1603}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 86   and name HN  ))
      3.800     1.800     1.800 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.10176E-02 ppm1      8.310 ppm2      9.329 CV     1
 OR { 1603}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 86   and name HN  ))
 ASSI { 1604}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 91   and name HN  ))
      4.100     2.100     1.900 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.67102E-03 ppm1      8.687 ppm2      9.342 CV     1
 OR { 1604}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 91   and name HN  ))
 ASSI { 1605}
   (( segid B    and resid 92   and name HN  ))
   (( segid B    and resid 91   and name HN  ))
      2.300     0.700     0.700 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.58775E-02 ppm1      7.735 ppm2      9.351 CV     1
 OR { 1605}
   (( segid A    and resid 92   and name HN  ))
   (( segid A    and resid 91   and name HN  ))
 ASSI { 1616}
   (( segid A    and resid 100  and name HN  ))
   (( segid A    and resid 101  and name HN  ))
      3.500     1.500     1.500 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.83883E-03 ppm1     11.651 ppm2      9.593 CV     1
 OR { 1616}
   (( segid B    and resid 100  and name HN  ))
   (( segid B    and resid 101  and name HN  ))
 ASSI { 1621}
   (( segid B    and resid 22   and name HN  ))
   (( segid B    and resid 89   and name HN  ))
      3.300     1.400     1.400 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.94191E-03 ppm1      8.687 ppm2      9.599 CV     1
 OR { 1621}
   (( segid A    and resid 22   and name HN  ))
   (( segid A    and resid 89   and name HN  ))
 ASSI { 1622}
   (( segid A    and resid 83   and name HN  ))
   (( segid A    and resid 84   and name HN  ))
      3.000     1.100     1.100 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.19484E-02 ppm1      8.704 ppm2      9.602 CV     1
 OR { 1622}
   (( segid B    and resid 83   and name HN  ))
   (( segid B    and resid 84   and name HN  ))
 ASSI { 1623}
   (( segid B    and resid 88   and name HN  ))
   (( segid B    and resid 89   and name HN  ))
      3.100     1.200     1.200 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.13775E-02 ppm1      7.936 ppm2      9.602 CV     1
 OR { 1623}
   (( segid A    and resid 88   and name HN  ))
   (( segid A    and resid 89   and name HN  ))
 ASSI { 1624}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 84   and name HN  ))
      2.800     1.000     1.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.37182E-02 ppm1      8.306 ppm2      9.603 CV     1
 OR { 1624}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 84   and name HN  ))
 ASSI { 1631}
   (( segid B    and resid 71   and name HN  ))
   (( segid B    and resid 70   and name HN  ))
      2.700     0.900     0.900 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.27683E-02 ppm1      7.414 ppm2     10.299 CV     1
 OR { 1631}
   (( segid A    and resid 71   and name HN  ))
   (( segid A    and resid 70   and name HN  ))
 ASSI { 1634}
   (( segid B    and resid 85   and name HN  ))
   (( segid B    and resid 85   and name HE2 ))
      3.400     1.400     1.400 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.88789E-03 ppm1      8.312 ppm2     11.104 CV     1
 OR { 1634}
   (( segid A    and resid 85   and name HN  ))
   (( segid A    and resid 85   and name HE2 ))
 ASSI { 1639}
   (( segid B    and resid 99   and name HN  ))
   (( segid B    and resid 100  and name HN  ))
      3.800     1.800     1.800 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.43684E-03 ppm1      8.512 ppm2     11.650 CV     1
 OR { 1639}
   (( segid A    and resid 99   and name HN  ))
   (( segid A    and resid 100  and name HN  ))
 ASSI {    5}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 79   and name HG11))
      2.600     2.600     3.400 peak     5 spectrum    1 weight  0.10000E+01 volume  0.16443E-02 ppm1      0.137 ppm2     -0.904 CV     1
 OR {    5}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 79   and name HG11))
 ASSI {    7}
   (  segid B    and resid 79   and name HD1%)
   (( segid B    and resid 79   and name HG11))
      2.400     0.700     0.700 peak     7 spectrum    1 weight  0.10000E+01 volume  0.46866E-02 ppm1      0.172 ppm2     -0.902 CV     1
 OR {    7}
   (  segid A    and resid 79   and name HD1%)
   (( segid A    and resid 79   and name HG11))
 ASSI {    9}
   (  segid B    and resid 29   and name HD1%)
   (  segid B    and resid 37   and name HG2%)
      2.200     2.200     3.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.55779E-02 ppm1      0.877 ppm2     -0.680 CV     1
 OR {    9}
   (  segid A    and resid 29   and name HD1%)
   (  segid A    and resid 37   and name HG2%)
 ASSI {   12}
   (  segid B    and resid 106  and name HE% )
   (  segid B    and resid 37   and name HG2%)
      2.500     2.500     3.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.21538E-02 ppm1      2.070 ppm2     -0.668 CV     1
 OR {   12}
   (  segid A    and resid 106  and name HE% )
   (  segid A    and resid 37   and name HG2%)
 ASSI {   13}
   (( segid B    and resid 37   and name HA  ))
   (  segid B    and resid 37   and name HG2%)
      3.000     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.29543E-02 ppm1      3.001 ppm2     -0.664 CV     1
 OR {   13}
   (( segid A    and resid 37   and name HA  ))
   (  segid A    and resid 37   and name HG2%)
 ASSI {   15}
   (  segid B    and resid 76   and name HE% )
   (  segid B    and resid 79   and name HG2%)
      3.100     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.86881E-02 ppm1      1.348 ppm2      0.087 CV     1
 OR {   15}
   (  segid A    and resid 76   and name HE% )
   (  segid A    and resid 79   and name HG2%)
 ASSI {   17}
   (( segid B    and resid 79   and name HA  ))
   (  segid B    and resid 79   and name HG2%)
      2.600     0.900     0.900 peak    17 spectrum    1 weight  0.10000E+01 volume  0.46328E-02 ppm1      3.617 ppm2      0.108 CV     1
 OR {   17}
   (( segid A    and resid 79   and name HA  ))
   (  segid A    and resid 79   and name HG2%)
 ASSI {   18}
   (( segid B    and resid 76   and name HA  ))
   (  segid B    and resid 79   and name HG2%)
      3.500     1.500     1.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.36626E-02 ppm1      4.350 ppm2      0.110 CV     1
 OR {   18}
   (( segid A    and resid 76   and name HA  ))
   (  segid A    and resid 79   and name HG2%)
 ASSI {   22}
   (( segid A    and resid 80   and name HG2 ))
   (  segid A    and resid 88   and name HG1%)
      3.100     1.200     1.200 peak    22 spectrum    1 weight  0.10000E+01 volume  0.34213E-02 ppm1      2.333 ppm2      0.120 CV     1
 OR {   22}
   (( segid B    and resid 80   and name HG2 ))
   (  segid B    and resid 88   and name HG1%)
 ASSI {   24}
   (( segid A    and resid 501  and name H2' ))
   (  segid A    and resid 79   and name HG2%)
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.11274E-02 ppm1      4.496 ppm2      0.127 CV     1
 OR {   24}
   (( segid B    and resid 501  and name H2' ))
   (  segid B    and resid 79   and name HG2%)
 OR {   24}
   (( segid A    and resid 501  and name H2' ))
   (  segid A    and resid 79   and name HD1%)
 ASSI {   28}
   (( segid B    and resid 23   and name HB1 ))
   (  segid B    and resid 88   and name HG1%)
      4.000     2.000     2.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.15448E-02 ppm1      3.715 ppm2      0.135 CV     1
 OR {   28}
   (( segid A    and resid 23   and name HB1 ))
   (  segid A    and resid 88   and name HG1%)
 ASSI {   29}
   (( segid A    and resid 88   and name HA  ))
   (  segid A    and resid 88   and name HG1%)
      3.000     1.100     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.49631E-02 ppm1      3.699 ppm2      0.135 CV     1
 OR {   29}
   (( segid B    and resid 88   and name HA  ))
   (  segid B    and resid 88   and name HG1%)
 ASSI {   31}
   (( segid A    and resid 80   and name HG1 ))
   (  segid A    and resid 88   and name HG1%)
      3.200     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.51218E-02 ppm1      2.051 ppm2      0.136 CV     1
 OR {   31}
   (( segid B    and resid 80   and name HG1 ))
   (  segid B    and resid 88   and name HG1%)
 ASSI {   34}
   (( segid A    and resid 23   and name HB2 ))
   (  segid A    and resid 88   and name HG1%)
      3.800     1.800     1.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.14933E-02 ppm1      3.834 ppm2      0.140 CV     1
 OR {   34}
   (( segid B    and resid 23   and name HB2 ))
   (  segid B    and resid 88   and name HG1%)
 ASSI {   37}
   (  segid B    and resid 76   and name HE% )
   (  segid B    and resid 79   and name HD1%)
      2.200     0.600     0.600 peak    37 spectrum    1 weight  0.10000E+01 volume  0.10813E-01 ppm1      1.351 ppm2      0.156 CV     1
 OR {   37}
   (  segid A    and resid 76   and name HE% )
   (  segid A    and resid 79   and name HD1%)
 ASSI {   38}
   (( segid A    and resid 76   and name HB2 ))
   (  segid A    and resid 79   and name HD1%)
      4.100     2.100     1.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.17468E-02 ppm1      2.067 ppm2      0.158 CV     1
 OR {   38}
   (( segid B    and resid 76   and name HB2 ))
   (  segid B    and resid 79   and name HD1%)
 ASSI {   39}
   (  segid A    and resid 90   and name HD1%)
   (  segid A    and resid 88   and name HG1%)
      3.000     1.100     1.100 peak    39 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      0.654 ppm2      0.160 CV     1
 OR {   39}
   (  segid B    and resid 90   and name HD1%)
   (  segid B    and resid 88   and name HG1%)
 ASSI {   43}
   (  segid B    and resid 75   and name HG2%)
   (  segid B    and resid 79   and name HD1%)
      3.100     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.90787E-02 ppm1      0.894 ppm2      0.164 CV     1
 OR {   43}
   (  segid A    and resid 75   and name HG2%)
   (  segid A    and resid 79   and name HD1%)
 ASSI {   45}
   (  segid A    and resid 65   and name HD2%)
   (  segid A    and resid 79   and name HD1%)
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.53483E-02 ppm1      0.974 ppm2      0.171 CV     1
 OR {   45}
   (  segid B    and resid 65   and name HD2%)
   (  segid B    and resid 79   and name HD1%)
 ASSI {   47}
   (( segid B    and resid 37   and name HB  ))
   (( segid B    and resid 37   and name HG11))
      3.000     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.13250E-02 ppm1      1.832 ppm2      0.203 CV     1
 OR {   47}
   (( segid A    and resid 37   and name HB  ))
   (( segid A    and resid 37   and name HG11))
 ASSI {   51}
   (( segid B    and resid 80   and name HA  ))
   (  segid B    and resid 88   and name HG2%)
      3.100     1.200     1.200 peak    51 spectrum    1 weight  0.10000E+01 volume  0.20982E-02 ppm1      3.728 ppm2      0.222 CV     1
 OR {   51}
   (( segid A    and resid 80   and name HA  ))
   (  segid A    and resid 88   and name HG2%)
 ASSI {   52}
   (( segid A    and resid 80   and name HG1 ))
   (  segid A    and resid 88   and name HG2%)
      3.300     1.300     1.300 peak    52 spectrum    1 weight  0.10000E+01 volume  0.41172E-02 ppm1      2.047 ppm2      0.224 CV     1
 OR {   52}
   (( segid B    and resid 80   and name HG1 ))
   (  segid B    and resid 88   and name HG2%)
 ASSI {   53}
   (( segid A    and resid 90   and name HG11))
   (  segid A    and resid 88   and name HG2%)
      3.600     1.600     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.15729E-02 ppm1      1.072 ppm2      0.224 CV     1
 OR {   53}
   (( segid B    and resid 90   and name HG11))
   (  segid B    and resid 88   and name HG2%)
 ASSI {   58}
   (( segid B    and resid 23   and name HB1 ))
   (  segid B    and resid 88   and name HG2%)
      4.100     2.100     1.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.10437E-02 ppm1      3.737 ppm2      0.231 CV     1
 OR {   58}
   (( segid A    and resid 23   and name HB1 ))
   (  segid A    and resid 88   and name HG2%)
 ASSI {   60}
   (( segid B    and resid 37   and name HA  ))
   (  segid B    and resid 37   and name HD1%)
      4.100     2.100     1.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.16733E-02 ppm1      2.984 ppm2      0.439 CV     1
 OR {   60}
   (( segid A    and resid 37   and name HA  ))
   (  segid A    and resid 37   and name HD1%)
 ASSI {   71}
   (  segid A    and resid 29   and name HD1%)
   (  segid A    and resid 37   and name HD1%)
      2.700     2.700     3.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.38360E-02 ppm1      0.891 ppm2      0.461 CV     1
 OR {   71}
   (  segid B    and resid 29   and name HD1%)
   (  segid B    and resid 37   and name HD1%)
 ASSI {   77}
   (  segid B    and resid 37   and name HD1%)
   (  segid B    and resid 34   and name HD2%)
      2.400     0.700     0.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.28764E-02 ppm1      0.438 ppm2      0.644 CV     1
 OR {   77}
   (  segid A    and resid 37   and name HD1%)
   (  segid A    and resid 34   and name HD2%)
 ASSI {   88}
   (  segid B    and resid 76   and name HE% )
   (  segid B    and resid 90   and name HD1%)
      2.000     0.500     0.500 peak    88 spectrum    1 weight  0.10000E+01 volume  0.19269E-01 ppm1      1.362 ppm2      0.658 CV     1
 OR {   88}
   (  segid A    and resid 76   and name HE% )
   (  segid A    and resid 90   and name HD1%)
 ASSI {   90}
   (  segid B    and resid 35   and name HD2%)
   (  segid B    and resid 34   and name HD2%)
      2.500     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.82980E-02 ppm1      1.002 ppm2      0.669 CV     1
 OR {   90}
   (  segid A    and resid 35   and name HD2%)
   (  segid A    and resid 34   and name HD2%)
 ASSI {   91}
   (( segid B    and resid 95   and name HA  ))
   (( segid B    and resid 96   and name HG11))
      4.000     2.000     2.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.14004E-02 ppm1      4.959 ppm2      0.670 CV     1
 OR {   91}
   (( segid A    and resid 95   and name HA  ))
   (( segid A    and resid 96   and name HG11))
 ASSI {   92}
   (( segid B    and resid 96   and name HB  ))
   (( segid B    and resid 96   and name HG11))
      2.600     0.900     0.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.25984E-02 ppm1      1.963 ppm2      0.673 CV     1
 OR {   92}
   (( segid A    and resid 96   and name HB  ))
   (( segid A    and resid 96   and name HG11))
 ASSI {   93}
   (( segid A    and resid 17   and name HA  ))
   (( segid A    and resid 96   and name HG11))
      3.300     1.400     1.400 peak    93 spectrum    1 weight  0.10000E+01 volume  0.14991E-02 ppm1      5.236 ppm2      0.673 CV     1
 OR {   93}
   (( segid B    and resid 17   and name HA  ))
   (( segid B    and resid 96   and name HG11))
 ASSI {   94}
   (  segid A    and resid 96   and name HD1%)
   (( segid A    and resid 96   and name HG11))
      2.200     0.600     0.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.71768E-02 ppm1      0.923 ppm2      0.673 CV     1
 OR {   94}
   (  segid B    and resid 96   and name HD1%)
   (( segid B    and resid 96   and name HG11))
 ASSI {   95}
   (( segid B    and resid 98   and name HG1 ))
   (( segid B    and resid 96   and name HG11))
      3.200     1.300     1.300 peak    95 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      1.305 ppm2      0.682 CV     1
 OR {   95}
   (( segid A    and resid 98   and name HG1 ))
   (( segid A    and resid 96   and name HG11))
 ASSI {  101}
   (( segid B    and resid 96   and name HG12))
   (( segid B    and resid 96   and name HG11))
      1.800     0.400     0.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.47349E-02 ppm1      1.265 ppm2      0.705 CV     1
 OR {  101}
   (( segid A    and resid 96   and name HG12))
   (( segid A    and resid 96   and name HG11))
 ASSI {  102}
   (  segid A    and resid 91   and name HD1%)
   (  segid A    and resid 91   and name HD2%)
      2.300     0.700     0.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.13469E-01 ppm1      0.901 ppm2      0.720 CV     1
 OR {  102}
   (  segid B    and resid 91   and name HD1%)
   (  segid B    and resid 91   and name HD2%)
 ASSI {  103}
   (( segid A    and resid 34   and name HB1 ))
   (  segid A    and resid 34   and name HD1%)
      3.200     1.300     1.300 peak   103 spectrum    1 weight  0.10000E+01 volume  0.20145E-02 ppm1      1.548 ppm2      0.723 CV     1
 OR {  103}
   (( segid B    and resid 34   and name HB1 ))
   (  segid B    and resid 34   and name HD1%)
 ASSI {  104}
   (( segid B    and resid 34   and name HA  ))
   (  segid B    and resid 34   and name HD1%)
      2.800     1.000     1.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.65373E-02 ppm1      4.029 ppm2      0.732 CV     1
 OR {  104}
   (( segid A    and resid 34   and name HA  ))
   (  segid A    and resid 34   and name HD1%)
 ASSI {  105}
   (( segid B    and resid 91   and name HG  ))
   (  segid B    and resid 91   and name HD2%)
      2.400     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.69513E-02 ppm1      1.670 ppm2      0.740 CV     1
 OR {  105}
   (( segid A    and resid 91   and name HG  ))
   (  segid A    and resid 91   and name HD2%)
 ASSI {  106}
   (  segid B    and resid 37   and name HD1%)
   (  segid B    and resid 34   and name HD1%)
      2.600     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.56630E-02 ppm1      0.449 ppm2      0.740 CV     1
 OR {  106}
   (  segid A    and resid 37   and name HD1%)
   (  segid A    and resid 34   and name HD1%)
 ASSI {  109}
   (( segid A    and resid 65   and name HB1 ))
   (  segid A    and resid 72   and name HG2%)
      4.200     2.200     1.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12531E-02 ppm1      1.635 ppm2      0.740 CV     1
 OR {  109}
   (( segid B    and resid 65   and name HB1 ))
   (  segid B    and resid 72   and name HG2%)
 ASSI {  110}
   (  segid B    and resid 38   and name HG1%)
   (  segid B    and resid 34   and name HD1%)
      3.100     3.100     2.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.22599E-02 ppm1      1.208 ppm2      0.740 CV     1
 OR {  110}
   (  segid A    and resid 38   and name HG1%)
   (  segid A    and resid 34   and name HD1%)
 ASSI {  111}
   (  segid A    and resid 29   and name HD1%)
   (  segid A    and resid 34   and name HD1%)
      2.100     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.18330E-01 ppm1      0.912 ppm2      0.743 CV     1
 OR {  111}
   (  segid B    and resid 29   and name HD1%)
   (  segid B    and resid 34   and name HD1%)
 ASSI {  114}
   (( segid A    and resid 72   and name HA  ))
   (  segid A    and resid 72   and name HG2%)
      2.300     0.700     0.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.11484E-01 ppm1      3.455 ppm2      0.745 CV     1
 OR {  114}
   (( segid B    and resid 72   and name HA  ))
   (  segid B    and resid 72   and name HG2%)
 ASSI {  116}
   (( segid A    and resid 69   and name HB2 ))
   (  segid A    and resid 72   and name HG2%)
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.21039E-02 ppm1      2.322 ppm2      0.746 CV     1
 OR {  116}
   (( segid B    and resid 69   and name HB2 ))
   (  segid B    and resid 72   and name HG2%)
 ASSI {  119}
   (  segid B    and resid 73   and name HB% )
   (  segid B    and resid 72   and name HG2%)
      2.300     2.300     3.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.36073E-02 ppm1      1.490 ppm2      0.747 CV     1
 OR {  119}
   (  segid A    and resid 73   and name HB% )
   (  segid A    and resid 72   and name HG2%)
 ASSI {  120}
   (  segid B    and resid 17   and name HG1%)
   (  segid B    and resid 72   and name HG2%)
      2.000     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.21517E-01 ppm1      0.879 ppm2      0.748 CV     1
 OR {  120}
   (  segid A    and resid 17   and name HG1%)
   (  segid A    and resid 72   and name HG2%)
 ASSI {  123}
   (( segid A    and resid 67   and name HA1 ))
   (  segid A    and resid 16   and name HD1%)
      3.600     1.600     1.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.27821E-02 ppm1      4.572 ppm2      0.763 CV     1
 OR {  123}
   (( segid B    and resid 67   and name HA1 ))
   (  segid B    and resid 16   and name HD1%)
 ASSI {  125}
   (( segid A    and resid 67   and name HA2 ))
   (  segid A    and resid 16   and name HD1%)
      2.600     0.800     0.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.45394E-02 ppm1      4.000 ppm2      0.767 CV     1
 OR {  125}
   (( segid B    and resid 67   and name HA2 ))
   (  segid B    and resid 16   and name HD1%)
 ASSI {  129}
   (( segid B    and resid 70   and name HA  ))
   (  segid B    and resid 72   and name HG2%)
      3.100     1.200     1.200 peak   129 spectrum    1 weight  0.10000E+01 volume  0.60970E-02 ppm1      4.344 ppm2      0.774 CV     1
 OR {  129}
   (( segid A    and resid 70   and name HA  ))
   (  segid A    and resid 72   and name HG2%)
 OR {  129}
   (( segid B    and resid 70   and name HA  ))
   (  segid B    and resid 72   and name HG1%)
 ASSI {  130}
   (( segid A    and resid 16   and name HG  ))
   (  segid A    and resid 16   and name HD1%)
      1.800     0.400     0.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.20723E-01 ppm1      1.550 ppm2      0.775 CV     1
 OR {  130}
   (( segid B    and resid 16   and name HG  ))
   (  segid B    and resid 16   and name HD1%)
 ASSI {  132}
   (( segid A    and resid 98   and name HD1 ))
   (  segid A    and resid 16   and name HD2%)
      3.100     1.200     1.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.25165E-02 ppm1      1.690 ppm2      0.782 CV     1
 OR {  132}
   (( segid B    and resid 98   and name HD1 ))
   (  segid B    and resid 16   and name HD2%)
 OR {  132}
   (( segid A    and resid 98   and name HD2 ))
   (  segid A    and resid 16   and name HD2%)
 OR {  132}
   (( segid B    and resid 98   and name HD2 ))
   (  segid B    and resid 16   and name HD2%)
 ASSI {  133}
   (  segid A    and resid 96   and name HD1%)
   (  segid A    and resid 16   and name HD2%)
      2.900     1.100     1.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.10699E-01 ppm1      0.917 ppm2      0.783 CV     1
 OR {  133}
   (  segid B    and resid 96   and name HD1%)
   (  segid B    and resid 16   and name HD2%)
 ASSI {  136}
   (( segid A    and resid 31   and name HG  ))
   (  segid A    and resid 31   and name HD1%)
      2.500     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.59209E-02 ppm1      1.677 ppm2      0.787 CV     1
 OR {  136}
   (( segid B    and resid 31   and name HG  ))
   (  segid B    and resid 31   and name HD1%)
 ASSI {  137}
   (( segid B    and resid 71   and name HA  ))
   (  segid B    and resid 72   and name HG1%)
      3.100     3.100     2.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.10021E-01 ppm1      4.403 ppm2      0.787 CV     1
 OR {  137}
   (( segid A    and resid 71   and name HA  ))
   (  segid A    and resid 72   and name HG1%)
 ASSI {  138}
   (( segid B    and resid 15   and name HA  ))
   (  segid B    and resid 16   and name HD1%)
      3.600     1.600     1.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.20334E-02 ppm1      4.579 ppm2      0.788 CV     1
 OR {  138}
   (( segid A    and resid 15   and name HA  ))
   (  segid A    and resid 16   and name HD1%)
 ASSI {  139}
   (( segid A    and resid 98   and name HB2 ))
   (  segid A    and resid 16   and name HD2%)
      2.900     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.16999E-02 ppm1      1.792 ppm2      0.790 CV     1
 OR {  139}
   (( segid B    and resid 98   and name HB2 ))
   (  segid B    and resid 16   and name HD2%)
 ASSI {  141}
   (( segid B    and resid 31   and name HA  ))
   (  segid B    and resid 31   and name HD1%)
      2.600     0.800     0.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.89716E-02 ppm1      4.036 ppm2      0.792 CV     1
 OR {  141}
   (( segid A    and resid 31   and name HA  ))
   (  segid A    and resid 31   and name HD1%)
 ASSI {  143}
   (( segid B    and resid 72   and name HA  ))
   (  segid B    and resid 72   and name HG1%)
      2.200     0.600     0.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.10170E-01 ppm1      3.456 ppm2      0.798 CV     1
 OR {  143}
   (( segid A    and resid 72   and name HA  ))
   (  segid A    and resid 72   and name HG1%)
 ASSI {  144}
   (  segid A    and resid 34   and name HD2%)
   (  segid A    and resid 31   and name HD1%)
      2.500     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.77260E-02 ppm1      0.642 ppm2      0.799 CV     1
 OR {  144}
   (  segid B    and resid 34   and name HD2%)
   (  segid B    and resid 31   and name HD1%)
 ASSI {  145}
   (( segid B    and resid 19   and name HB1 ))
   (  segid B    and resid 72   and name HG1%)
      3.300     1.300     1.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.26134E-02 ppm1      2.671 ppm2      0.801 CV     1
 OR {  145}
   (( segid A    and resid 19   and name HB1 ))
   (  segid A    and resid 72   and name HG1%)
 ASSI {  146}
   (( segid B    and resid 69   and name HB1 ))
   (  segid B    and resid 72   and name HG1%)
      4.000     2.000     2.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.19212E-02 ppm1      2.021 ppm2      0.802 CV     1
 OR {  146}
   (( segid A    and resid 69   and name HB1 ))
   (  segid A    and resid 72   and name HG1%)
 ASSI {  148}
   (  segid B    and resid 17   and name HG1%)
   (  segid B    and resid 72   and name HG1%)
      2.000     0.500     0.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.27350E-01 ppm1      0.879 ppm2      0.804 CV     1
 OR {  148}
   (  segid A    and resid 17   and name HG1%)
   (  segid A    and resid 72   and name HG1%)
 ASSI {  150}
   (  segid B    and resid 73   and name HB% )
   (  segid B    and resid 72   and name HG1%)
      3.300     1.400     1.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.54299E-02 ppm1      1.490 ppm2      0.805 CV     1
 OR {  150}
   (  segid A    and resid 73   and name HB% )
   (  segid A    and resid 72   and name HG1%)
 ASSI {  153}
   (( segid A    and resid 65   and name HB1 ))
   (  segid A    and resid 72   and name HG1%)
      4.100     2.100     1.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.17828E-02 ppm1      1.639 ppm2      0.809 CV     1
 OR {  153}
   (( segid B    and resid 65   and name HB1 ))
   (  segid B    and resid 72   and name HG1%)
 ASSI {  154}
   (  segid A    and resid 76   and name HE% )
   (  segid A    and resid 72   and name HG1%)
      2.700     0.900     0.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.41217E-02 ppm1      1.358 ppm2      0.809 CV     1
 OR {  154}
   (  segid B    and resid 76   and name HE% )
   (  segid B    and resid 72   and name HG1%)
 ASSI {  156}
   (  segid B    and resid 26   and name HB% )
   (  segid B    and resid 29   and name HD1%)
      2.900     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.31857E-02 ppm1      1.534 ppm2      0.863 CV     1
 OR {  156}
   (  segid A    and resid 26   and name HB% )
   (  segid A    and resid 29   and name HD1%)
 ASSI {  158}
   (( segid A    and resid 91   and name HA  ))
   (  segid A    and resid 91   and name HD1%)
      3.000     1.100     1.100 peak   158 spectrum    1 weight  0.10000E+01 volume  0.11635E-01 ppm1      4.479 ppm2      0.870 CV     1
 OR {  158}
   (( segid B    and resid 91   and name HA  ))
   (  segid B    and resid 91   and name HD1%)
 ASSI {  159}
   (( segid A    and resid 16   and name HA  ))
   (  segid A    and resid 17   and name HG1%)
      4.000     2.000     2.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.21556E-02 ppm1      4.793 ppm2      0.878 CV     1
 OR {  159}
   (( segid B    and resid 16   and name HA  ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {  160}
   (( segid A    and resid 69   and name HB1 ))
   (  segid A    and resid 17   and name HG1%)
      2.800     1.000     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.71032E-02 ppm1      2.024 ppm2      0.878 CV     1
 OR {  160}
   (( segid B    and resid 69   and name HB1 ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {  165}
   (( segid A    and resid 69   and name HA  ))
   (  segid A    and resid 17   and name HG1%)
      2.400     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.12214E-01 ppm1      4.121 ppm2      0.883 CV     1
 OR {  165}
   (( segid B    and resid 69   and name HA  ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {  170}
   (( segid A    and resid 17   and name HB  ))
   (  segid A    and resid 17   and name HG1%)
      2.100     0.500     0.500 peak   170 spectrum    1 weight  0.10000E+01 volume  0.11997E-01 ppm1      2.184 ppm2      0.885 CV     1
 OR {  170}
   (( segid B    and resid 17   and name HB  ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {  176}
   (( segid A    and resid 95   and name HA  ))
   (  segid A    and resid 17   and name HG1%)
      3.600     1.600     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.19793E-02 ppm1      4.945 ppm2      0.891 CV     1
 OR {  176}
   (( segid B    and resid 95   and name HA  ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {  177}
   (( segid A    and resid 95   and name HB1 ))
   (  segid A    and resid 17   and name HG1%)
      2.600     2.600     3.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.19053E-02 ppm1      3.960 ppm2      0.893 CV     1
 OR {  177}
   (( segid B    and resid 95   and name HB1 ))
   (  segid B    and resid 17   and name HG1%)
 OR {  177}
   (( segid A    and resid 95   and name HB2 ))
   (  segid A    and resid 17   and name HG1%)
 OR {  177}
   (( segid B    and resid 95   and name HB2 ))
   (  segid B    and resid 17   and name HG1%)
 ASSI {  180}
   (  segid A    and resid 79   and name HD1%)
   (  segid A    and resid 90   and name HG2%)
      2.600     2.600     3.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.10961E-01 ppm1      0.166 ppm2      0.904 CV     1
 OR {  180}
   (  segid B    and resid 79   and name HD1%)
   (  segid B    and resid 90   and name HG2%)
 ASSI {  182}
   (( segid B    and resid 29   and name HG  ))
   (  segid B    and resid 29   and name HD1%)
      2.100     0.500     0.500 peak   182 spectrum    1 weight  0.10000E+01 volume  0.15140E-01 ppm1      1.256 ppm2      0.908 CV     1
 OR {  182}
   (( segid A    and resid 29   and name HG  ))
   (  segid A    and resid 29   and name HD1%)
 ASSI {  184}
   (( segid B    and resid 85   and name HA  ))
   (  segid B    and resid 29   and name HD1%)
      3.100     1.200     1.200 peak   184 spectrum    1 weight  0.10000E+01 volume  0.15708E-02 ppm1      5.528 ppm2      0.908 CV     1
 OR {  184}
   (( segid A    and resid 85   and name HA  ))
   (  segid A    and resid 29   and name HD1%)
 ASSI {  191}
   (( segid A    and resid 49   and name HA  ))
   (  segid A    and resid 50   and name HD1%)
      3.600     1.600     1.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.18332E-02 ppm1      3.972 ppm2      0.911 CV     1
 OR {  191}
   (( segid B    and resid 49   and name HA  ))
   (  segid B    and resid 50   and name HD1%)
 ASSI {  192}
   (( segid A    and resid 98   and name HA  ))
   (  segid A    and resid 96   and name HD1%)
      2.500     0.800     0.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.34868E-02 ppm1      4.415 ppm2      0.911 CV     1
 OR {  192}
   (( segid B    and resid 98   and name HA  ))
   (  segid B    and resid 96   and name HD1%)
 ASSI {  195}
   (  segid A    and resid 106  and name HE% )
   (  segid A    and resid 54   and name HD1%)
      2.100     0.600     0.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.18549E-01 ppm1      2.069 ppm2      0.912 CV     1
 OR {  195}
   (  segid B    and resid 106  and name HE% )
   (  segid B    and resid 54   and name HD1%)
 ASSI {  196}
   (  segid B    and resid 71   and name HB% )
   (  segid B    and resid 50   and name HD1%)
      2.000     0.500     0.500 peak   196 spectrum    1 weight  0.10000E+01 volume  0.26048E-01 ppm1      1.758 ppm2      0.914 CV     1
 OR {  196}
   (  segid A    and resid 71   and name HB% )
   (  segid A    and resid 50   and name HD1%)
 ASSI {  198}
   (( segid B    and resid 67   and name HA2 ))
   (  segid B    and resid 50   and name HD1%)
      3.300     1.400     1.400 peak   198 spectrum    1 weight  0.10000E+01 volume  0.33538E-02 ppm1      4.012 ppm2      0.918 CV     1
 OR {  198}
   (( segid A    and resid 67   and name HA2 ))
   (  segid A    and resid 50   and name HD1%)
 ASSI {  200}
   (( segid B    and resid 67   and name HA1 ))
   (  segid B    and resid 50   and name HD1%)
      2.600     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.30315E-02 ppm1      4.588 ppm2      0.925 CV     1
 OR {  200}
   (( segid A    and resid 67   and name HA1 ))
   (  segid A    and resid 50   and name HD1%)
 ASSI {  208}
   (( segid B    and resid 91   and name HG  ))
   (  segid B    and resid 91   and name HD1%)
      2.000     0.500     0.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.17928E-01 ppm1      1.693 ppm2      0.928 CV     1
 OR {  208}
   (( segid A    and resid 91   and name HG  ))
   (  segid A    and resid 91   and name HD1%)
 ASSI {  209}
   (  segid B    and resid 56   and name HD% )
   (  segid B    and resid 54   and name HD1%)
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.13320E-02 ppm1      6.547 ppm2      0.928 CV     1
 OR {  209}
   (  segid A    and resid 56   and name HD% )
   (  segid A    and resid 54   and name HD1%)
 ASSI {  210}
   (( segid A    and resid 24   and name HA  ))
   (  segid A    and resid 24   and name HD1%)
      2.900     1.000     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.18516E-02 ppm1      5.099 ppm2      0.930 CV     1
 OR {  210}
   (( segid B    and resid 24   and name HA  ))
   (  segid B    and resid 24   and name HD1%)
 ASSI {  211}
   (( segid B    and resid 48   and name HA  ))
   (  segid B    and resid 50   and name HD2%)
      3.500     1.500     1.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.21519E-02 ppm1      4.329 ppm2      0.930 CV     1
 OR {  211}
   (( segid A    and resid 48   and name HA  ))
   (  segid A    and resid 50   and name HD2%)
 OR {  211}
   (( segid B    and resid 48   and name HA  ))
   (  segid B    and resid 50   and name HD1%)
 OR {  211}
   (( segid A    and resid 48   and name HA  ))
   (  segid A    and resid 50   and name HD1%)
 ASSI {  213}
   (( segid A    and resid 66   and name HB1 ))
   (  segid A    and resid 96   and name HD1%)
      2.500     0.800     0.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.34877E-02 ppm1      2.022 ppm2      0.931 CV     1
 OR {  213}
   (( segid B    and resid 66   and name HB1 ))
   (  segid B    and resid 96   and name HD1%)
 ASSI {  214}
   (  segid A    and resid 90   and name HD1%)
   (  segid A    and resid 90   and name HG2%)
      1.900     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.35099E-01 ppm1      0.650 ppm2      0.931 CV     1
 OR {  214}
   (  segid B    and resid 90   and name HD1%)
   (  segid B    and resid 90   and name HG2%)
 ASSI {  220}
   (( segid B    and resid 90   and name HG12))
   (  segid B    and resid 90   and name HG2%)
      2.400     0.700     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.90799E-02 ppm1      1.473 ppm2      0.935 CV     1
 OR {  220}
   (( segid A    and resid 90   and name HG12))
   (  segid A    and resid 90   and name HG2%)
 ASSI {  222}
   (( segid A    and resid 60   and name HB  ))
   (  segid A    and resid 60   and name HG1%)
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.53869E-02 ppm1      2.152 ppm2      0.936 CV     1
 OR {  222}
   (( segid B    and resid 60   and name HB  ))
   (  segid B    and resid 60   and name HG1%)
 ASSI {  224}
   (  segid B    and resid 96   and name HG2%)
   (  segid B    and resid 96   and name HD1%)
      2.200     0.600     0.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.15691E-01 ppm1      1.046 ppm2      0.937 CV     1
 OR {  224}
   (  segid A    and resid 96   and name HG2%)
   (  segid A    and resid 96   and name HD1%)
 ASSI {  228}
   (  segid A    and resid 17   and name HG1%)
   (  segid A    and resid 17   and name HG2%)
      1.700     0.400     0.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.54570E-01 ppm1      0.879 ppm2      0.946 CV     1
 OR {  228}
   (  segid B    and resid 17   and name HG1%)
   (  segid B    and resid 17   and name HG2%)
 ASSI {  230}
   (( segid A    and resid 93   and name HG1 ))
   (  segid A    and resid 90   and name HG2%)
      2.200     0.600     0.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.89328E-02 ppm1      2.176 ppm2      0.948 CV     1
 OR {  230}
   (( segid B    and resid 93   and name HG1 ))
   (  segid B    and resid 90   and name HG2%)
 ASSI {  231}
   (( segid B    and resid 93   and name HG2 ))
   (  segid B    and resid 90   and name HG2%)
      2.500     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.71379E-02 ppm1      2.240 ppm2      0.948 CV     1
 OR {  231}
   (( segid A    and resid 93   and name HG2 ))
   (  segid A    and resid 90   and name HG2%)
 ASSI {  234}
   (  segid A    and resid 72   and name HG1%)
   (  segid A    and resid 17   and name HG2%)
      1.600     1.600     4.400 peak   234 spectrum    1 weight  0.10000E+01 volume  0.31667E-01 ppm1      0.808 ppm2      0.953 CV     1
 OR {  234}
   (  segid B    and resid 72   and name HG1%)
   (  segid B    and resid 17   and name HG2%)
 ASSI {  239}
   (( segid A    and resid 69   and name HA  ))
   (  segid A    and resid 17   and name HG2%)
      2.600     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.72205E-02 ppm1      4.122 ppm2      0.955 CV     1
 OR {  239}
   (( segid B    and resid 69   and name HA  ))
   (  segid B    and resid 17   and name HG2%)
 ASSI {  240}
   (( segid B    and resid 69   and name HD2 ))
   (  segid B    and resid 17   and name HG2%)
      4.000     2.000     2.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.17569E-02 ppm1      3.392 ppm2      0.955 CV     1
 OR {  240}
   (( segid A    and resid 69   and name HD2 ))
   (  segid A    and resid 17   and name HG2%)
 ASSI {  241}
   (( segid A    and resid 69   and name HB2 ))
   (  segid A    and resid 17   and name HG2%)
      3.400     1.400     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.79977E-02 ppm1      2.311 ppm2      0.957 CV     1
 OR {  241}
   (( segid B    and resid 69   and name HB2 ))
   (  segid B    and resid 17   and name HG2%)
 ASSI {  242}
   (( segid A    and resid 65   and name HA  ))
   (  segid A    and resid 65   and name HD1%)
      4.100     2.100     1.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.18621E-02 ppm1      5.341 ppm2      0.958 CV     1
 OR {  242}
   (( segid B    and resid 65   and name HA  ))
   (  segid B    and resid 65   and name HD1%)
 ASSI {  243}
   (( segid A    and resid 69   and name HB1 ))
   (  segid A    and resid 17   and name HG2%)
      2.600     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.71170E-02 ppm1      2.024 ppm2      0.958 CV     1
 OR {  243}
   (( segid B    and resid 69   and name HB1 ))
   (  segid B    and resid 17   and name HG2%)
 ASSI {  244}
   (( segid A    and resid 69   and name HG1 ))
   (  segid A    and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.97063E-02 ppm1      1.974 ppm2      0.958 CV     1
 OR {  244}
   (( segid B    and resid 69   and name HG1 ))
   (  segid B    and resid 17   and name HG2%)
 OR {  244}
   (( segid A    and resid 69   and name HG2 ))
   (  segid A    and resid 17   and name HG2%)
 OR {  244}
   (( segid B    and resid 69   and name HG2 ))
   (  segid B    and resid 17   and name HG2%)
 ASSI {  245}
   (( segid B    and resid 69   and name HD1 ))
   (  segid B    and resid 17   and name HG2%)
      3.000     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.10202E-02 ppm1      2.756 ppm2      0.958 CV     1
 OR {  245}
   (( segid A    and resid 69   and name HD1 ))
   (  segid A    and resid 17   and name HG2%)
 ASSI {  250}
   (( segid A    and resid 50   and name HA  ))
   (  segid A    and resid 50   and name HD2%)
      3.300     1.400     1.400 peak   250 spectrum    1 weight  0.10000E+01 volume  0.30001E-02 ppm1      5.599 ppm2      0.962 CV     1
 OR {  250}
   (( segid B    and resid 50   and name HA  ))
   (  segid B    and resid 50   and name HD2%)
 ASSI {  251}
   (( segid B    and resid 19   and name HB1 ))
   (  segid B    and resid 65   and name HD1%)
      3.900     1.900     1.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.15821E-02 ppm1      2.673 ppm2      0.963 CV     1
 OR {  251}
   (( segid A    and resid 19   and name HB1 ))
   (  segid A    and resid 65   and name HD1%)
 ASSI {  256}
   (  segid B    and resid 71   and name HB% )
   (  segid B    and resid 50   and name HD2%)
      2.300     0.700     0.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.10413E-01 ppm1      1.760 ppm2      0.969 CV     1
 OR {  256}
   (  segid A    and resid 71   and name HB% )
   (  segid A    and resid 50   and name HD2%)
 ASSI {  257}
   (( segid A    and resid 5    and name HG  ))
   (  segid A    and resid 5    and name HD2%)
      1.900     0.400     0.400 peak   257 spectrum    1 weight  0.10000E+01 volume  0.31286E-01 ppm1      1.680 ppm2      0.971 CV     1
 OR {  257}
   (( segid B    and resid 5    and name HG  ))
   (( segid B    and resid 5    and name HD23))
 OR {  257}
   (( segid B    and resid 5    and name HG  ))
   (( segid B    and resid 5    and name HD21))
 ASSI {  258}
   (( segid A    and resid 76   and name HB1 ))
   (  segid A    and resid 75   and name HG1%)
      3.600     1.600     1.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.23988E-02 ppm1      1.770 ppm2      0.971 CV     1
 OR {  258}
   (( segid B    and resid 76   and name HB1 ))
   (  segid B    and resid 75   and name HG1%)
 ASSI {  260}
   (  segid B    and resid 48   and name HB% )
   (  segid B    and resid 50   and name HD2%)
      2.200     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.16293E-01 ppm1      1.127 ppm2      0.973 CV     1
 OR {  260}
   (  segid A    and resid 48   and name HB% )
   (  segid A    and resid 50   and name HD2%)
 ASSI {  261}
   (  segid B    and resid 79   and name HD1%)
   (  segid B    and resid 75   and name HG1%)
      2.100     0.500     0.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.13271E-01 ppm1      0.170 ppm2      0.973 CV     1
 OR {  261}
   (  segid A    and resid 79   and name HD1%)
   (  segid A    and resid 75   and name HG1%)
 ASSI {  263}
   (( segid B    and resid 76   and name HB2 ))
   (  segid B    and resid 75   and name HG1%)
      3.600     1.600     1.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.18732E-02 ppm1      2.062 ppm2      0.974 CV     1
 OR {  263}
   (( segid A    and resid 76   and name HB2 ))
   (  segid A    and resid 75   and name HG1%)
 ASSI {  266}
   (( segid A    and resid 65   and name HG  ))
   (  segid A    and resid 65   and name HD2%)
      2.100     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.91709E-02 ppm1      1.794 ppm2      0.977 CV     1
 OR {  266}
   (( segid B    and resid 65   and name HG  ))
   (  segid B    and resid 65   and name HD2%)
 ASSI {  268}
   (( segid B    and resid 65   and name HB1 ))
   (  segid B    and resid 65   and name HD2%)
      2.500     0.800     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.34106E-02 ppm1      1.630 ppm2      0.978 CV     1
 OR {  268}
   (( segid A    and resid 65   and name HB1 ))
   (  segid A    and resid 65   and name HD2%)
 ASSI {  270}
   (( segid B    and resid 65   and name HB2 ))
   (  segid B    and resid 65   and name HD2%)
      3.400     1.500     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.27627E-02 ppm1      1.767 ppm2      0.981 CV     1
 OR {  270}
   (( segid A    and resid 65   and name HB2 ))
   (  segid A    and resid 65   and name HD2%)
 ASSI {  273}
   (( segid B    and resid 116  and name HD2 ))
   (  segid B    and resid 120  and name HD2%)
      2.200     0.600     0.600 peak   273 spectrum    1 weight  0.10000E+01 volume  0.64679E-02 ppm1      3.254 ppm2      0.990 CV     1
 OR {  273}
   (( segid A    and resid 116  and name HD2 ))
   (  segid A    and resid 120  and name HD2%)
 OR {  273}
   (( segid B    and resid 116  and name HD1 ))
   (  segid B    and resid 120  and name HD2%)
 OR {  273}
   (( segid A    and resid 116  and name HD1 ))
   (  segid A    and resid 120  and name HD2%)
 ASSI {  274}
   (( segid A    and resid 60   and name HB  ))
   (  segid A    and resid 24   and name HD2%)
      3.200     1.300     1.300 peak   274 spectrum    1 weight  0.10000E+01 volume  0.23894E-02 ppm1      2.154 ppm2      0.996 CV     1
 OR {  274}
   (( segid B    and resid 60   and name HB  ))
   (  segid B    and resid 24   and name HD2%)
 ASSI {  275}
   (( segid A    and resid 34   and name HB2 ))
   (  segid A    and resid 35   and name HD2%)
      3.200     1.300     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.31569E-02 ppm1      1.805 ppm2      0.997 CV     1
 OR {  275}
   (( segid B    and resid 34   and name HB2 ))
   (  segid B    and resid 35   and name HD2%)
 OR {  275}
   (( segid A    and resid 34   and name HB2 ))
   (  segid A    and resid 35   and name HD1%)
 ASSI {  276}
   (( segid B    and resid 89   and name HB1 ))
   (  segid B    and resid 24   and name HD2%)
      2.600     2.600     3.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.20250E-02 ppm1      1.913 ppm2      0.999 CV     1
 OR {  276}
   (( segid A    and resid 89   and name HB1 ))
   (  segid A    and resid 24   and name HD2%)
 ASSI {  277}
   (( segid A    and resid 24   and name HA  ))
   (  segid A    and resid 24   and name HD2%)
      2.900     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.42457E-02 ppm1      5.109 ppm2      1.003 CV     1
 OR {  277}
   (( segid B    and resid 24   and name HA  ))
   (  segid B    and resid 24   and name HD2%)
 ASSI {  278}
   (( segid A    and resid 35   and name HA  ))
   (  segid A    and resid 35   and name HD1%)
      2.800     1.000     1.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.84308E-02 ppm1      4.050 ppm2      1.003 CV     1
 OR {  278}
   (( segid B    and resid 35   and name HA  ))
   (  segid B    and resid 35   and name HD1%)
 ASSI {  279}
   (( segid A    and resid 9    and name HA  ))
   (  segid A    and resid 9    and name HG2%)
      2.300     0.700     0.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.26219E-01 ppm1      4.253 ppm2      1.007 CV     1
 OR {  279}
   (( segid B    and resid 9    and name HA  ))
   (( segid B    and resid 9    and name HG22))
 OR {  279}
   (( segid B    and resid 9    and name HA  ))
   (( segid B    and resid 9    and name HG21))
 ASSI {  280}
   (( segid A    and resid 9    and name HB  ))
   (  segid A    and resid 9    and name HG1%)
      1.900     0.400     0.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.35289E-01 ppm1      2.241 ppm2      1.011 CV     1
 OR {  280}
   (( segid B    and resid 9    and name HB  ))
   (( segid B    and resid 9    and name HG12))
 OR {  280}
   (( segid B    and resid 9    and name HB  ))
   (( segid B    and resid 9    and name HG11))
 ASSI {  282}
   (( segid A    and resid 35   and name HB2 ))
   (  segid A    and resid 35   and name HD2%)
      3.200     1.300     1.300 peak   282 spectrum    1 weight  0.10000E+01 volume  0.28027E-02 ppm1      1.972 ppm2      1.012 CV     1
 OR {  282}
   (( segid B    and resid 35   and name HB2 ))
   (  segid B    and resid 35   and name HD2%)
 ASSI {  283}
   (( segid A    and resid 87   and name HB2 ))
   (  segid A    and resid 24   and name HD2%)
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.45144E-02 ppm1      3.084 ppm2      1.012 CV     1
 OR {  283}
   (( segid B    and resid 87   and name HB2 ))
   (  segid B    and resid 24   and name HD2%)
 ASSI {  284}
   (( segid B    and resid 35   and name HB1 ))
   (  segid B    and resid 35   and name HD2%)
      3.000     1.100     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.27255E-02 ppm1      1.630 ppm2      1.014 CV     1
 OR {  284}
   (( segid A    and resid 35   and name HB1 ))
   (  segid A    and resid 35   and name HD2%)
 ASSI {  287}
   (( segid A    and resid 32   and name HA  ))
   (  segid A    and resid 31   and name HD2%)
      2.300     2.300     3.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.37891E-02 ppm1      3.987 ppm2      1.019 CV     1
 OR {  287}
   (( segid B    and resid 32   and name HA  ))
   (  segid B    and resid 31   and name HD2%)
 ASSI {  290}
   (( segid B    and resid 32   and name HD2 ))
   (  segid B    and resid 31   and name HD2%)
      2.500     2.500     3.500 peak   290 spectrum    1 weight  0.10000E+01 volume  0.24686E-02 ppm1      3.263 ppm2      1.022 CV     1
 OR {  290}
   (( segid A    and resid 32   and name HD2 ))
   (  segid A    and resid 31   and name HD2%)
 OR {  290}
   (( segid A    and resid 32   and name HD1 ))
   (  segid A    and resid 31   and name HD2%)
 OR {  290}
   (( segid B    and resid 32   and name HD1 ))
   (  segid B    and resid 31   and name HD2%)
 ASSI {  292}
   (( segid B    and resid 96   and name HG11))
   (  segid B    and resid 96   and name HG2%)
      3.000     1.100     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.65122E-02 ppm1      0.693 ppm2      1.024 CV     1
 OR {  292}
   (( segid A    and resid 96   and name HG11))
   (  segid A    and resid 96   and name HG2%)
 ASSI {  294}
   (( segid B    and resid 100  and name HG1 ))
   (  segid B    and resid 96   and name HG2%)
      2.700     2.700     3.300 peak   294 spectrum    1 weight  0.10000E+01 volume  0.14844E-02 ppm1      1.220 ppm2      1.034 CV     1
 OR {  294}
   (( segid A    and resid 100  and name HG1 ))
   (  segid A    and resid 96   and name HG2%)
 ASSI {  295}
   (  segid B    and resid 76   and name HE% )
   (( segid B    and resid 90   and name HG11))
      2.900     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.56750E-02 ppm1      1.361 ppm2      1.040 CV     1
 OR {  295}
   (  segid A    and resid 76   and name HE% )
   (( segid A    and resid 90   and name HG11))
 ASSI {  299}
   (( segid A    and resid 94   and name HB1 ))
   (  segid A    and resid 96   and name HG2%)
      3.500     1.500     1.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.17901E-02 ppm1      2.025 ppm2      1.045 CV     1
 OR {  299}
   (( segid B    and resid 94   and name HB1 ))
   (  segid B    and resid 96   and name HG2%)
 ASSI {  300}
   (( segid B    and resid 90   and name HB  ))
   (( segid B    and resid 90   and name HG11))
      2.700     0.900     0.900 peak   300 spectrum    1 weight  0.10000E+01 volume  0.28724E-02 ppm1      1.910 ppm2      1.048 CV     1
 OR {  300}
   (( segid A    and resid 90   and name HB  ))
   (( segid A    and resid 90   and name HG11))
 ASSI {  303}
   (( segid B    and resid 90   and name HG12))
   (( segid B    and resid 90   and name HG11))
      1.700     0.300     0.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.14329E-01 ppm1      1.469 ppm2      1.053 CV     1
 OR {  303}
   (( segid A    and resid 90   and name HG12))
   (( segid A    and resid 90   and name HG11))
 ASSI {  304}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 90   and name HG11))
      2.100     0.600     0.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.12625E-01 ppm1      0.651 ppm2      1.053 CV     1
 OR {  304}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 90   and name HG11))
 ASSI {  306}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 90   and name HG11))
      2.400     0.700     0.700 peak   306 spectrum    1 weight  0.10000E+01 volume  0.96728E-02 ppm1      0.936 ppm2      1.068 CV     1
 OR {  306}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 90   and name HG11))
 ASSI {  307}
   (( segid A    and resid 47   and name HA  ))
   (  segid A    and resid 48   and name HB% )
      3.900     1.900     1.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.16813E-02 ppm1      4.143 ppm2      1.107 CV     1
 OR {  307}
   (( segid B    and resid 47   and name HA  ))
   (  segid B    and resid 48   and name HB% )
 ASSI {  308}
   (( segid A    and resid 47   and name HB1 ))
   (  segid A    and resid 48   and name HB% )
      3.200     1.200     1.200 peak   308 spectrum    1 weight  0.10000E+01 volume  0.36822E-02 ppm1      1.934 ppm2      1.117 CV     1
 OR {  308}
   (( segid B    and resid 47   and name HB1 ))
   (  segid B    and resid 48   and name HB% )
 OR {  308}
   (( segid A    and resid 47   and name HB2 ))
   (  segid A    and resid 48   and name HB% )
 OR {  308}
   (( segid B    and resid 47   and name HB2 ))
   (  segid B    and resid 48   and name HB% )
 ASSI {  309}
   (( segid A    and resid 49   and name HG1 ))
   (  segid A    and resid 48   and name HB% )
      2.500     2.500     3.500 peak   309 spectrum    1 weight  0.10000E+01 volume  0.24183E-02 ppm1      2.343 ppm2      1.119 CV     1
 OR {  309}
   (( segid B    and resid 49   and name HG2 ))
   (  segid B    and resid 48   and name HB% )
 OR {  309}
   (( segid A    and resid 49   and name HG2 ))
   (  segid A    and resid 48   and name HB% )
 OR {  309}
   (( segid B    and resid 49   and name HG1 ))
   (  segid B    and resid 48   and name HB% )
 ASSI {  310}
   (  segid B    and resid 71   and name HB% )
   (  segid B    and resid 48   and name HB% )
      2.200     0.600     0.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.15770E-01 ppm1      1.759 ppm2      1.120 CV     1
 OR {  310}
   (  segid A    and resid 71   and name HB% )
   (  segid A    and resid 48   and name HB% )
 ASSI {  311}
   (( segid A    and resid 48   and name HA  ))
   (  segid A    and resid 48   and name HB% )
      2.000     0.500     0.500 peak   311 spectrum    1 weight  0.10000E+01 volume  0.22953E-01 ppm1      4.345 ppm2      1.124 CV     1
 OR {  311}
   (( segid B    and resid 48   and name HA  ))
   (  segid B    and resid 48   and name HB% )
 ASSI {  315}
   (  segid A    and resid 79   and name HD1%)
   (( segid A    and resid 79   and name HG12))
      2.400     0.700     0.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.51975E-02 ppm1      0.166 ppm2      1.147 CV     1
 OR {  315}
   (  segid B    and resid 79   and name HD1%)
   (( segid B    and resid 79   and name HG12))
 ASSI {  316}
   (  segid A    and resid 79   and name HG2%)
   (( segid A    and resid 79   and name HG12))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.29665E-02 ppm1      0.108 ppm2      1.147 CV     1
 OR {  316}
   (  segid B    and resid 79   and name HG2%)
   (( segid B    and resid 79   and name HG12))
 ASSI {  317}
   (( segid A    and resid 79   and name HA  ))
   (( segid A    and resid 79   and name HG12))
      3.300     1.300     1.300 peak   317 spectrum    1 weight  0.10000E+01 volume  0.16254E-02 ppm1      3.618 ppm2      1.151 CV     1
 OR {  317}
   (( segid B    and resid 79   and name HA  ))
   (( segid B    and resid 79   and name HG12))
 ASSI {  324}
   (( segid A    and resid 51   and name HB  ))
   (  segid A    and resid 51   and name HG2%)
      3.100     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.14665E-02 ppm1      4.825 ppm2      1.186 CV     1
 OR {  324}
   (( segid B    and resid 51   and name HB  ))
   (  segid B    and resid 51   and name HG2%)
 ASSI {  325}
   (( segid B    and resid 38   and name HA  ))
   (  segid B    and resid 38   and name HG1%)
      2.900     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.35349E-02 ppm1      3.519 ppm2      1.188 CV     1
 OR {  325}
   (( segid A    and resid 38   and name HA  ))
   (  segid A    and resid 38   and name HG1%)
 ASSI {  326}
   (( segid A    and resid 42   and name HG2 ))
   (  segid A    and resid 38   and name HG1%)
      2.600     2.600     3.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.18853E-02 ppm1      2.656 ppm2      1.189 CV     1
 OR {  326}
   (( segid B    and resid 42   and name HG2 ))
   (  segid B    and resid 38   and name HG1%)
 OR {  326}
   (( segid A    and resid 42   and name HG1 ))
   (  segid A    and resid 38   and name HG1%)
 OR {  326}
   (( segid B    and resid 42   and name HG1 ))
   (  segid B    and resid 38   and name HG1%)
 ASSI {  327}
   (( segid A    and resid 38   and name HB  ))
   (  segid A    and resid 38   and name HG1%)
      2.500     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.57063E-02 ppm1      2.388 ppm2      1.191 CV     1
 OR {  327}
   (( segid B    and resid 38   and name HB  ))
   (  segid B    and resid 38   and name HG1%)
 ASSI {  329}
   (( segid A    and resid 103  and name HA2 ))
   (  segid A    and resid 51   and name HG2%)
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.12796E-02 ppm1      4.307 ppm2      1.194 CV     1
 OR {  329}
   (( segid B    and resid 103  and name HA2 ))
   (  segid B    and resid 51   and name HG2%)
 ASSI {  331}
   (  segid B    and resid 37   and name HG2%)
   (  segid B    and resid 38   and name HG1%)
      3.400     1.500     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.32396E-02 ppm1     -0.672 ppm2      1.203 CV     1
 OR {  331}
   (  segid A    and resid 37   and name HG2%)
   (  segid A    and resid 38   and name HG1%)
 ASSI {  332}
   (  segid B    and resid 106  and name HE% )
   (  segid B    and resid 38   and name HG1%)
      2.800     1.000     1.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.37800E-02 ppm1      2.068 ppm2      1.210 CV     1
 OR {  332}
   (  segid A    and resid 106  and name HE% )
   (  segid A    and resid 38   and name HG1%)
 ASSI {  333}
   (( segid B    and resid 100  and name HB2 ))
   (( segid B    and resid 100  and name HG1 ))
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.20563E-02 ppm1      1.698 ppm2      1.222 CV     1
 OR {  333}
   (( segid A    and resid 100  and name HB2 ))
   (( segid A    and resid 100  and name HG1 ))
 ASSI {  334}
   (( segid B    and resid 100  and name HA  ))
   (( segid B    and resid 100  and name HG1 ))
      3.200     1.200     1.200 peak   334 spectrum    1 weight  0.10000E+01 volume  0.23848E-02 ppm1      4.127 ppm2      1.226 CV     1
 OR {  334}
   (( segid A    and resid 100  and name HA  ))
   (( segid A    and resid 100  and name HG1 ))
 ASSI {  336}
   (( segid B    and resid 100  and name HG2 ))
   (( segid B    and resid 100  and name HG1 ))
      1.800     0.400     0.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.89908E-02 ppm1      1.491 ppm2      1.230 CV     1
 OR {  336}
   (( segid A    and resid 100  and name HG2 ))
   (( segid A    and resid 100  and name HG1 ))
 ASSI {  338}
   (( segid B    and resid 100  and name HD2 ))
   (( segid B    and resid 100  and name HG1 ))
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.27698E-02 ppm1      2.874 ppm2      1.234 CV     1
 OR {  338}
   (( segid A    and resid 100  and name HD2 ))
   (( segid A    and resid 100  and name HG1 ))
 OR {  338}
   (( segid B    and resid 100  and name HD1 ))
   (( segid B    and resid 100  and name HG1 ))
 OR {  338}
   (( segid A    and resid 100  and name HD1 ))
   (( segid A    and resid 100  and name HG1 ))
 ASSI {  340}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 96   and name HG12))
      2.300     0.700     0.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.50171E-02 ppm1      1.041 ppm2      1.238 CV     1
 OR {  340}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 96   and name HG12))
 ASSI {  341}
   (( segid B    and resid 99   and name HA  ))
   (( segid B    and resid 100  and name HG1 ))
      3.300     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.17679E-02 ppm1      3.947 ppm2      1.243 CV     1
 OR {  341}
   (( segid A    and resid 99   and name HA  ))
   (( segid A    and resid 100  and name HG1 ))
 ASSI {  343}
   (  segid B    and resid 26   and name HB% )
   (( segid B    and resid 29   and name HG  ))
      2.400     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.81006E-02 ppm1      1.541 ppm2      1.254 CV     1
 OR {  343}
   (  segid A    and resid 26   and name HB% )
   (( segid A    and resid 29   and name HG  ))
 ASSI {  346}
   (( segid A    and resid 29   and name HA  ))
   (( segid A    and resid 29   and name HG  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.50287E-02 ppm1      4.376 ppm2      1.260 CV     1
 OR {  346}
   (( segid B    and resid 29   and name HA  ))
   (( segid B    and resid 29   and name HG  ))
 ASSI {  347}
   (( segid A    and resid 96   and name HB  ))
   (( segid A    and resid 96   and name HG12))
      2.500     0.800     0.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.59213E-02 ppm1      1.943 ppm2      1.260 CV     1
 OR {  347}
   (( segid B    and resid 96   and name HB  ))
   (( segid B    and resid 96   and name HG12))
 ASSI {  350}
   (  segid B    and resid 96   and name HD1%)
   (( segid B    and resid 96   and name HG12))
      2.100     0.500     0.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.10135E-01 ppm1      0.918 ppm2      1.271 CV     1
 OR {  350}
   (  segid A    and resid 96   and name HD1%)
   (( segid A    and resid 96   and name HG12))
 ASSI {  351}
   (( segid B    and resid 16   and name HG  ))
   (( segid B    and resid 16   and name HB1 ))
      2.200     0.600     0.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.40253E-02 ppm1      1.549 ppm2      1.273 CV     1
 OR {  351}
   (( segid A    and resid 16   and name HG  ))
   (( segid A    and resid 16   and name HB1 ))
 ASSI {  352}
   (  segid B    and resid 16   and name HD1%)
   (( segid B    and resid 16   and name HB1 ))
      2.200     0.600     0.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.10126E-01 ppm1      0.764 ppm2      1.278 CV     1
 OR {  352}
   (  segid A    and resid 16   and name HD1%)
   (( segid A    and resid 16   and name HB1 ))
 ASSI {  353}
   (  segid B    and resid 16   and name HD2%)
   (( segid B    and resid 16   and name HB1 ))
      2.600     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.11885E-01 ppm1      0.792 ppm2      1.281 CV     1
 OR {  353}
   (  segid A    and resid 16   and name HD2%)
   (( segid A    and resid 16   and name HB1 ))
 ASSI {  354}
   (( segid A    and resid 9    and name HA  ))
   (  segid A    and resid 10   and name HG2%)
      3.300     1.400     1.400 peak   354 spectrum    1 weight  0.10000E+01 volume  0.35197E-02 ppm1      4.249 ppm2      1.284 CV     1
 OR {  354}
   (( segid B    and resid 9    and name HA  ))
   (( segid B    and resid 10   and name HG21))
 OR {  354}
   (( segid B    and resid 9    and name HA  ))
   (( segid B    and resid 10   and name HG23))
 ASSI {  355}
   (( segid A    and resid 12   and name HA  ))
   (  segid A    and resid 12   and name HG2%)
      1.900     0.500     0.500 peak   355 spectrum    1 weight  0.10000E+01 volume  0.37783E-01 ppm1      4.449 ppm2      1.284 CV     1
 OR {  355}
   (( segid B    and resid 12   and name HA  ))
   (  segid B    and resid 12   and name HG2%)
 ASSI {  356}
   (( segid A    and resid 13   and name HA2 ))
   (  segid A    and resid 12   and name HG2%)
      2.300     2.300     3.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.37814E-02 ppm1      4.124 ppm2      1.286 CV     1
 OR {  356}
   (( segid B    and resid 13   and name HA2 ))
   (  segid B    and resid 12   and name HG2%)
 OR {  356}
   (( segid A    and resid 13   and name HA1 ))
   (  segid A    and resid 12   and name HG2%)
 OR {  356}
   (( segid B    and resid 13   and name HA1 ))
   (  segid B    and resid 12   and name HG2%)
 ASSI {  358}
   (( segid B    and resid 16   and name HB2 ))
   (( segid B    and resid 16   and name HB1 ))
      1.700     0.400     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.71284E-02 ppm1      1.816 ppm2      1.288 CV     1
 OR {  358}
   (( segid A    and resid 16   and name HB2 ))
   (( segid A    and resid 16   and name HB1 ))
 ASSI {  359}
   (( segid A    and resid 16   and name HA  ))
   (( segid A    and resid 16   and name HB1 ))
      2.400     0.700     0.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.20284E-02 ppm1      4.798 ppm2      1.289 CV     1
 OR {  359}
   (( segid B    and resid 16   and name HA  ))
   (( segid B    and resid 16   and name HB1 ))
 ASSI {  362}
   (( segid A    and resid 10   and name HA  ))
   (  segid A    and resid 10   and name HG2%)
      2.300     0.600     0.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.24532E-01 ppm1      4.368 ppm2      1.290 CV     1
 OR {  362}
   (( segid B    and resid 10   and name HA  ))
   (( segid B    and resid 10   and name HG22))
 OR {  362}
   (( segid B    and resid 10   and name HA  ))
   (( segid B    and resid 10   and name HG23))
 ASSI {  363}
   (( segid A    and resid 10   and name HB  ))
   (  segid A    and resid 10   and name HG2%)
      1.900     0.400     0.400 peak   363 spectrum    1 weight  0.10000E+01 volume  0.36233E-01 ppm1      4.280 ppm2      1.290 CV     1
 OR {  363}
   (( segid B    and resid 10   and name HB  ))
   (( segid B    and resid 10   and name HG23))
 OR {  363}
   (( segid B    and resid 10   and name HB  ))
   (( segid B    and resid 10   and name HG22))
 ASSI {  364}
   (( segid B    and resid 40   and name HA  ))
   (  segid B    and resid 40   and name HG2%)
      2.600     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.96758E-02 ppm1      4.024 ppm2      1.293 CV     1
 OR {  364}
   (( segid A    and resid 40   and name HA  ))
   (  segid A    and resid 40   and name HG2%)
 ASSI {  366}
   (  segid B    and resid 43   and name HB% )
   (  segid B    and resid 40   and name HG2%)
      2.200     2.200     3.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.43419E-02 ppm1      1.578 ppm2      1.294 CV     1
 OR {  366}
   (  segid A    and resid 43   and name HB% )
   (  segid A    and resid 40   and name HG2%)
 ASSI {  369}
   (( segid A    and resid 37   and name HA  ))
   (  segid A    and resid 40   and name HG2%)
      3.300     1.400     1.400 peak   369 spectrum    1 weight  0.10000E+01 volume  0.12765E-02 ppm1      2.986 ppm2      1.297 CV     1
 OR {  369}
   (( segid B    and resid 37   and name HA  ))
   (  segid B    and resid 40   and name HG2%)
 ASSI {  372}
   (( segid A    and resid 59   and name HA1 ))
   (  segid A    and resid 25   and name HB% )
      4.000     2.000     2.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.10416E-02 ppm1      3.513 ppm2      1.302 CV     1
 OR {  372}
   (( segid B    and resid 59   and name HA1 ))
   (  segid B    and resid 25   and name HB% )
 ASSI {  374}
   (( segid B    and resid 98   and name HE1 ))
   (( segid B    and resid 98   and name HG1 ))
      2.000     0.500     0.500 peak   374 spectrum    1 weight  0.10000E+01 volume  0.24381E-01 ppm1      3.012 ppm2      1.305 CV     1
 OR {  374}
   (( segid A    and resid 98   and name HE1 ))
   (( segid A    and resid 98   and name HG1 ))
 OR {  374}
   (( segid A    and resid 98   and name HE2 ))
   (( segid A    and resid 98   and name HG1 ))
 OR {  374}
   (( segid B    and resid 98   and name HE2 ))
   (( segid B    and resid 98   and name HG1 ))
 ASSI {  377}
   (( segid B    and resid 98   and name HB2 ))
   (( segid B    and resid 98   and name HG1 ))
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.64745E-02 ppm1      1.788 ppm2      1.307 CV     1
 OR {  377}
   (( segid A    and resid 98   and name HB2 ))
   (( segid A    and resid 98   and name HG1 ))
 ASSI {  378}
   (( segid A    and resid 98   and name HA  ))
   (( segid A    and resid 98   and name HG1 ))
      2.700     0.900     0.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.43785E-02 ppm1      4.406 ppm2      1.308 CV     1
 OR {  378}
   (( segid B    and resid 98   and name HA  ))
   (( segid B    and resid 98   and name HG1 ))
 ASSI {  379}
   (( segid A    and resid 98   and name HG2 ))
   (( segid A    and resid 98   and name HG1 ))
      1.200     0.200     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.78918E-01 ppm1      1.415 ppm2      1.310 CV     1
 OR {  379}
   (( segid B    and resid 98   and name HG2 ))
   (( segid B    and resid 98   and name HG1 ))
 ASSI {  380}
   (( segid B    and resid 98   and name HD2 ))
   (( segid B    and resid 98   and name HG1 ))
      1.900     0.500     0.500 peak   380 spectrum    1 weight  0.10000E+01 volume  0.18854E-01 ppm1      1.678 ppm2      1.311 CV     1
 OR {  380}
   (( segid A    and resid 98   and name HD2 ))
   (( segid A    and resid 98   and name HG1 ))
 OR {  380}
   (( segid A    and resid 98   and name HD1 ))
   (( segid A    and resid 98   and name HG1 ))
 OR {  380}
   (( segid B    and resid 98   and name HD1 ))
   (( segid B    and resid 98   and name HG1 ))
 ASSI {  384}
   (  segid B    and resid 37   and name HD1%)
   (  segid B    and resid 501  and name HM8%)
      2.600     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.53362E-02 ppm1      0.447 ppm2      1.315 CV     1
 OR {  384}
   (  segid A    and resid 37   and name HD1%)
   (  segid A    and resid 501  and name HM8%)
 ASSI {  385}
   (( segid A    and resid 113  and name HA  ))
   (  segid A    and resid 113  and name HB% )
      2.700     0.900     0.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.39521E-02 ppm1      4.037 ppm2      1.323 CV     1
 OR {  385}
   (( segid B    and resid 113  and name HA  ))
   (  segid B    and resid 113  and name HB% )
 ASSI {  387}
   (( segid A    and resid 80   and name HG1 ))
   (  segid A    and resid 76   and name HE% )
      3.000     1.100     1.100 peak   387 spectrum    1 weight  0.10000E+01 volume  0.34438E-02 ppm1      2.039 ppm2      1.354 CV     1
 OR {  387}
   (( segid B    and resid 80   and name HG1 ))
   (  segid B    and resid 76   and name HE% )
 ASSI {  390}
   (( segid A    and resid 80   and name HG2 ))
   (  segid A    and resid 76   and name HE% )
      2.600     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.47227E-02 ppm1      2.320 ppm2      1.355 CV     1
 OR {  390}
   (( segid B    and resid 80   and name HG2 ))
   (  segid B    and resid 76   and name HE% )
 ASSI {  401}
   (  segid A    and resid 90   and name HG2%)
   (  segid A    and resid 76   and name HE% )
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.30417E-02 ppm1      0.927 ppm2      1.382 CV     1
 OR {  401}
   (  segid B    and resid 90   and name HG2%)
   (  segid B    and resid 76   and name HE% )
 ASSI {  402}
   (( segid B    and resid 100  and name HG1 ))
   (( segid B    and resid 100  and name HB1 ))
      2.900     1.100     1.100 peak   402 spectrum    1 weight  0.10000E+01 volume  0.36166E-02 ppm1      1.224 ppm2      1.384 CV     1
 OR {  402}
   (( segid A    and resid 100  and name HG1 ))
   (( segid A    and resid 100  and name HB1 ))
 ASSI {  404}
   (( segid A    and resid 100  and name HG2 ))
   (( segid A    and resid 100  and name HB1 ))
      2.300     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.60234E-02 ppm1      1.476 ppm2      1.392 CV     1
 OR {  404}
   (( segid B    and resid 100  and name HG2 ))
   (( segid B    and resid 100  and name HB1 ))
 ASSI {  405}
   (( segid B    and resid 100  and name HA  ))
   (( segid B    and resid 100  and name HB1 ))
      2.500     0.800     0.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.40463E-02 ppm1      4.120 ppm2      1.396 CV     1
 OR {  405}
   (( segid A    and resid 100  and name HA  ))
   (( segid A    and resid 100  and name HB1 ))
 ASSI {  407}
   (( segid A    and resid 100  and name HB2 ))
   (( segid A    and resid 100  and name HB1 ))
      2.000     0.500     0.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.55341E-02 ppm1      1.695 ppm2      1.399 CV     1
 OR {  407}
   (( segid B    and resid 100  and name HB2 ))
   (( segid B    and resid 100  and name HB1 ))
 ASSI {  409}
   (( segid A    and resid 98   and name HE1 ))
   (( segid A    and resid 98   and name HG2 ))
      2.100     0.500     0.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.21679E-01 ppm1      3.013 ppm2      1.415 CV     1
 OR {  409}
   (( segid B    and resid 98   and name HE1 ))
   (( segid B    and resid 98   and name HG2 ))
 OR {  409}
   (( segid B    and resid 98   and name HE2 ))
   (( segid B    and resid 98   and name HG2 ))
 OR {  409}
   (( segid A    and resid 98   and name HE2 ))
   (( segid A    and resid 98   and name HG2 ))
 ASSI {  411}
   (( segid A    and resid 98   and name HD2 ))
   (( segid A    and resid 98   and name HG2 ))
      1.900     0.400     0.400 peak   411 spectrum    1 weight  0.10000E+01 volume  0.22668E-01 ppm1      1.681 ppm2      1.416 CV     1
 OR {  411}
   (( segid B    and resid 98   and name HD2 ))
   (( segid B    and resid 98   and name HG2 ))
 OR {  411}
   (( segid B    and resid 98   and name HD1 ))
   (( segid B    and resid 98   and name HG2 ))
 OR {  411}
   (( segid A    and resid 98   and name HD1 ))
   (( segid A    and resid 98   and name HG2 ))
 ASSI {  412}
   (( segid B    and resid 98   and name HA  ))
   (( segid B    and resid 98   and name HG2 ))
      2.400     0.700     0.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.50189E-02 ppm1      4.406 ppm2      1.419 CV     1
 OR {  412}
   (( segid A    and resid 98   and name HA  ))
   (( segid A    and resid 98   and name HG2 ))
 ASSI {  413}
   (( segid B    and resid 98   and name HB1 ))
   (( segid B    and resid 98   and name HG2 ))
      2.300     0.700     0.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.76273E-02 ppm1      1.720 ppm2      1.420 CV     1
 OR {  413}
   (( segid A    and resid 98   and name HB1 ))
   (( segid A    and resid 98   and name HG2 ))
 ASSI {  418}
   (  segid B    and resid 29   and name HD1%)
   (  segid B    and resid 30   and name HG2%)
      2.000     2.000     4.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.10418E-01 ppm1      0.883 ppm2      1.426 CV     1
 OR {  418}
   (  segid A    and resid 29   and name HD1%)
   (  segid A    and resid 30   and name HG2%)
 ASSI {  419}
   (( segid A    and resid 94   and name HG2 ))
   (  segid A    and resid 92   and name HB% )
      2.300     2.300     3.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.34282E-02 ppm1      2.278 ppm2      1.428 CV     1
 OR {  419}
   (( segid B    and resid 94   and name HG2 ))
   (  segid B    and resid 92   and name HB% )
 OR {  419}
   (( segid A    and resid 94   and name HG1 ))
   (  segid A    and resid 92   and name HB% )
 ASSI {  421}
   (( segid A    and resid 20   and name HB1 ))
   (  segid A    and resid 92   and name HB% )
      3.100     1.200     1.200 peak   421 spectrum    1 weight  0.10000E+01 volume  0.20049E-02 ppm1      2.352 ppm2      1.430 CV     1
 OR {  421}
   (( segid B    and resid 20   and name HB1 ))
   (  segid B    and resid 92   and name HB% )
 OR {  421}
   (( segid A    and resid 20   and name HB2 ))
   (  segid A    and resid 92   and name HB% )
 OR {  421}
   (( segid B    and resid 20   and name HB2 ))
   (  segid B    and resid 92   and name HB% )
 ASSI {  424}
   (  segid A    and resid 51   and name HG2%)
   (  segid A    and resid 102  and name HB% )
      3.400     1.400     1.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.45616E-02 ppm1      1.178 ppm2      1.444 CV     1
 OR {  424}
   (  segid B    and resid 51   and name HG2%)
   (  segid B    and resid 102  and name HB% )
 ASSI {  425}
   (( segid B    and resid 101  and name HA  ))
   (  segid B    and resid 102  and name HB% )
      3.300     1.300     1.300 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26134E-02 ppm1      4.612 ppm2      1.445 CV     1
 OR {  425}
   (( segid A    and resid 101  and name HA  ))
   (  segid A    and resid 102  and name HB% )
 ASSI {  429}
   (  segid B    and resid 96   and name HG2%)
   (  segid B    and resid 97   and name HB% )
      3.400     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.89190E-02 ppm1      1.048 ppm2      1.450 CV     1
 OR {  429}
   (  segid A    and resid 96   and name HG2%)
   (  segid A    and resid 97   and name HB% )
 ASSI {  431}
   (  segid A    and resid 53   and name HB% )
   (( segid A    and resid 54   and name HB1 ))
      3.900     1.900     1.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.18324E-02 ppm1      0.604 ppm2      1.462 CV     1
 OR {  431}
   (  segid B    and resid 53   and name HB% )
   (( segid B    and resid 54   and name HB1 ))
 OR {  431}
   (  segid B    and resid 53   and name HB% )
   (( segid B    and resid 54   and name HB2 ))
 OR {  431}
   (  segid A    and resid 53   and name HB% )
   (( segid A    and resid 54   and name HB2 ))
 ASSI {  432}
   (( segid A    and resid 98   and name HB2 ))
   (  segid A    and resid 97   and name HB% )
      2.200     2.200     3.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.44898E-02 ppm1      1.781 ppm2      1.464 CV     1
 OR {  432}
   (( segid B    and resid 98   and name HB2 ))
   (  segid B    and resid 97   and name HB% )
 ASSI {  433}
   (( segid A    and resid 98   and name HE1 ))
   (  segid A    and resid 97   and name HB% )
      2.000     2.000     4.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.95346E-02 ppm1      3.011 ppm2      1.466 CV     1
 OR {  433}
   (( segid B    and resid 98   and name HE1 ))
   (  segid B    and resid 97   and name HB% )
 OR {  433}
   (( segid A    and resid 98   and name HE2 ))
   (  segid A    and resid 97   and name HB% )
 OR {  433}
   (( segid B    and resid 98   and name HE2 ))
   (  segid B    and resid 97   and name HB% )
 ASSI {  436}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 90   and name HG12))
      2.000     0.500     0.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.15122E-01 ppm1      0.650 ppm2      1.469 CV     1
 OR {  436}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 90   and name HG12))
 ASSI {  439}
   (( segid B    and resid 96   and name HA  ))
   (  segid B    and resid 97   and name HB% )
      2.900     1.000     1.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.11684E-01 ppm1      4.856 ppm2      1.471 CV     1
 OR {  439}
   (( segid A    and resid 96   and name HA  ))
   (  segid A    and resid 97   and name HB% )
 ASSI {  440}
   (  segid B    and resid 88   and name HG2%)
   (( segid B    and resid 90   and name HG12))
      3.200     1.300     1.300 peak   440 spectrum    1 weight  0.10000E+01 volume  0.28457E-02 ppm1      0.228 ppm2      1.471 CV     1
 OR {  440}
   (  segid A    and resid 88   and name HG2%)
   (( segid A    and resid 90   and name HG12))
 ASSI {  441}
   (( segid A    and resid 90   and name HA  ))
   (( segid A    and resid 90   and name HG12))
      3.000     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.19335E-02 ppm1      4.047 ppm2      1.472 CV     1
 OR {  441}
   (( segid B    and resid 90   and name HA  ))
   (( segid B    and resid 90   and name HG12))
 ASSI {  443}
   (( segid A    and resid 91   and name HA  ))
   (( segid A    and resid 90   and name HG12))
      2.400     2.400     3.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.27882E-02 ppm1      4.479 ppm2      1.475 CV     1
 OR {  443}
   (( segid B    and resid 91   and name HA  ))
   (( segid B    and resid 90   and name HG12))
 ASSI {  444}
   (( segid A    and resid 97   and name HA  ))
   (  segid A    and resid 97   and name HB% )
      1.900     0.400     0.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.36520E-01 ppm1      4.449 ppm2      1.480 CV     1
 OR {  444}
   (( segid B    and resid 97   and name HA  ))
   (  segid B    and resid 97   and name HB% )
 ASSI {  445}
   (( segid A    and resid 98   and name HB1 ))
   (  segid A    and resid 97   and name HB% )
      2.200     2.200     3.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.51547E-02 ppm1      1.713 ppm2      1.480 CV     1
 OR {  445}
   (( segid B    and resid 98   and name HB1 ))
   (  segid B    and resid 97   and name HB% )
 ASSI {  447}
   (( segid B    and resid 100  and name HD2 ))
   (( segid B    and resid 100  and name HG2 ))
      2.800     1.000     1.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.26822E-02 ppm1      2.888 ppm2      1.485 CV     1
 OR {  447}
   (( segid A    and resid 100  and name HD2 ))
   (( segid A    and resid 100  and name HG2 ))
 OR {  447}
   (( segid B    and resid 100  and name HD1 ))
   (( segid B    and resid 100  and name HG2 ))
 OR {  447}
   (( segid A    and resid 100  and name HD1 ))
   (( segid A    and resid 100  and name HG2 ))
 ASSI {  450}
   (( segid B    and resid 100  and name HA  ))
   (( segid B    and resid 100  and name HG2 ))
      2.900     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.28260E-02 ppm1      4.128 ppm2      1.489 CV     1
 OR {  450}
   (( segid A    and resid 100  and name HA  ))
   (( segid A    and resid 100  and name HG2 ))
 ASSI {  451}
   (( segid B    and resid 74   and name HA  ))
   (  segid B    and resid 73   and name HB% )
      3.400     1.400     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.25697E-02 ppm1      4.005 ppm2      1.489 CV     1
 OR {  451}
   (( segid A    and resid 74   and name HA  ))
   (  segid A    and resid 73   and name HB% )
 ASSI {  457}
   (( segid B    and resid 74   and name HB2 ))
   (  segid B    and resid 73   and name HB% )
      4.000     2.000     2.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      2.243 ppm2      1.492 CV     1
 OR {  457}
   (( segid A    and resid 74   and name HB2 ))
   (  segid A    and resid 73   and name HB% )
 ASSI {  459}
   (( segid B    and resid 73   and name HA  ))
   (  segid B    and resid 73   and name HB% )
      1.800     0.400     0.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.36556E-01 ppm1      4.012 ppm2      1.492 CV     1
 OR {  459}
   (( segid A    and resid 73   and name HA  ))
   (  segid A    and resid 73   and name HB% )
 ASSI {  460}
   (( segid A    and resid 79   and name HA  ))
   (( segid A    and resid 79   and name HB  ))
      3.100     1.200     1.200 peak   460 spectrum    1 weight  0.10000E+01 volume  0.15910E-02 ppm1      3.624 ppm2      1.492 CV     1
 OR {  460}
   (( segid B    and resid 79   and name HA  ))
   (( segid B    and resid 79   and name HB  ))
 ASSI {  463}
   (( segid B    and resid 76   and name HA  ))
   (( segid B    and resid 79   and name HB  ))
      2.900     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.41379E-02 ppm1      4.363 ppm2      1.495 CV     1
 OR {  463}
   (( segid A    and resid 76   and name HA  ))
   (( segid A    and resid 79   and name HB  ))
 ASSI {  464}
   (( segid B    and resid 79   and name HG12))
   (( segid B    and resid 79   and name HB  ))
      3.300     1.400     1.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.15116E-02 ppm1      1.144 ppm2      1.495 CV     1
 OR {  464}
   (( segid A    and resid 79   and name HG12))
   (( segid A    and resid 79   and name HB  ))
 ASSI {  467}
   (( segid A    and resid 79   and name HG11))
   (( segid A    and resid 79   and name HB  ))
      3.000     1.100     1.100 peak   467 spectrum    1 weight  0.10000E+01 volume  0.11747E-02 ppm1     -0.905 ppm2      1.497 CV     1
 OR {  467}
   (( segid B    and resid 79   and name HG11))
   (( segid B    and resid 79   and name HB  ))
 ASSI {  470}
   (( segid B    and resid 31   and name HB2 ))
   (( segid B    and resid 31   and name HB1 ))
      2.200     0.600     0.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.30945E-02 ppm1      1.851 ppm2      1.520 CV     1
 OR {  470}
   (( segid A    and resid 31   and name HB2 ))
   (( segid A    and resid 31   and name HB1 ))
 ASSI {  471}
   (( segid A    and resid 117  and name HB1 ))
   (( segid A    and resid 118  and name HB2 ))
      3.800     1.800     1.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.12350E-02 ppm1      3.926 ppm2      1.529 CV     1
 OR {  471}
   (( segid B    and resid 117  and name HB1 ))
   (( segid B    and resid 118  and name HB2 ))
 OR {  471}
   (( segid A    and resid 117  and name HB2 ))
   (( segid A    and resid 118  and name HB2 ))
 OR {  471}
   (( segid B    and resid 117  and name HB2 ))
   (( segid B    and resid 118  and name HB2 ))
 OR {  471}
   (( segid A    and resid 117  and name HB1 ))
   (( segid A    and resid 118  and name HB1 ))
 OR {  471}
   (( segid B    and resid 117  and name HB1 ))
   (( segid B    and resid 118  and name HB1 ))
 OR {  471}
   (( segid A    and resid 117  and name HB2 ))
   (( segid A    and resid 118  and name HB1 ))
 ASSI {  472}
   (( segid A    and resid 85   and name HA  ))
   (  segid A    and resid 26   and name HB% )
      3.000     1.100     1.100 peak   472 spectrum    1 weight  0.10000E+01 volume  0.28363E-02 ppm1      5.537 ppm2      1.537 CV     1
 OR {  472}
   (( segid B    and resid 85   and name HA  ))
   (  segid B    and resid 26   and name HB% )
 ASSI {  478}
   (( segid A    and resid 27   and name HA  ))
   (  segid A    and resid 26   and name HB% )
      3.300     1.300     1.300 peak   478 spectrum    1 weight  0.10000E+01 volume  0.27086E-02 ppm1      4.473 ppm2      1.542 CV     1
 OR {  478}
   (( segid B    and resid 27   and name HA  ))
   (  segid B    and resid 26   and name HB% )
 ASSI {  481}
   (  segid B    and resid 16   and name HD2%)
   (( segid B    and resid 16   and name HG  ))
      1.700     0.400     0.500 peak   481 spectrum    1 weight  0.10000E+01 volume  0.27928E-01 ppm1      0.790 ppm2      1.547 CV     1
 OR {  481}
   (  segid A    and resid 16   and name HD2%)
   (( segid A    and resid 16   and name HG  ))
 ASSI {  482}
   (( segid A    and resid 34   and name HA  ))
   (( segid A    and resid 34   and name HB1 ))
      3.000     1.100     1.100 peak   482 spectrum    1 weight  0.10000E+01 volume  0.25130E-02 ppm1      4.034 ppm2      1.548 CV     1
 OR {  482}
   (( segid B    and resid 34   and name HA  ))
   (( segid B    and resid 34   and name HB1 ))
 ASSI {  487}
   (( segid A    and resid 98   and name HD1 ))
   (( segid A    and resid 16   and name HG  ))
      2.400     0.700     0.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.71703E-02 ppm1      1.688 ppm2      1.554 CV     1
 OR {  487}
   (( segid B    and resid 98   and name HD1 ))
   (( segid B    and resid 16   and name HG  ))
 OR {  487}
   (( segid A    and resid 98   and name HD2 ))
   (( segid A    and resid 16   and name HG  ))
 OR {  487}
   (( segid B    and resid 98   and name HD2 ))
   (( segid B    and resid 16   and name HG  ))
 ASSI {  488}
   (  segid B    and resid 34   and name HD2%)
   (( segid B    and resid 34   and name HB1 ))
      2.700     0.900     0.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.43029E-02 ppm1      0.637 ppm2      1.560 CV     1
 OR {  488}
   (  segid A    and resid 34   and name HD2%)
   (( segid A    and resid 34   and name HB1 ))
 ASSI {  489}
   (( segid B    and resid 44   and name HB1 ))
   (  segid B    and resid 43   and name HB% )
      2.700     2.700     3.300 peak   489 spectrum    1 weight  0.10000E+01 volume  0.16058E-02 ppm1      3.194 ppm2      1.564 CV     1
 OR {  489}
   (( segid A    and resid 44   and name HB1 ))
   (  segid A    and resid 43   and name HB% )
 ASSI {  491}
   (( segid B    and resid 44   and name HA  ))
   (  segid B    and resid 43   and name HB% )
      3.300     1.300     1.300 peak   491 spectrum    1 weight  0.10000E+01 volume  0.23051E-02 ppm1      4.204 ppm2      1.566 CV     1
 OR {  491}
   (( segid A    and resid 44   and name HA  ))
   (  segid A    and resid 43   and name HB% )
 ASSI {  492}
   (( segid A    and resid 91   and name HA  ))
   (( segid A    and resid 91   and name HB1 ))
      2.600     0.800     0.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.46707E-02 ppm1      4.479 ppm2      1.569 CV     1
 OR {  492}
   (( segid B    and resid 91   and name HA  ))
   (( segid B    and resid 91   and name HB1 ))
 OR {  492}
   (( segid A    and resid 91   and name HA  ))
   (( segid A    and resid 91   and name HB2 ))
 OR {  492}
   (( segid B    and resid 91   and name HA  ))
   (( segid B    and resid 91   and name HB2 ))
 ASSI {  498}
   (( segid B    and resid 118  and name HA  ))
   (( segid B    and resid 118  and name HG  ))
      2.800     1.000     1.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.41318E-02 ppm1      4.188 ppm2      1.589 CV     1
 OR {  498}
   (( segid A    and resid 118  and name HA  ))
   (( segid A    and resid 118  and name HG  ))
 ASSI {  499}
   (  segid A    and resid 118  and name HD2%)
   (( segid A    and resid 118  and name HG  ))
      2.500     0.800     0.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.56702E-02 ppm1      0.588 ppm2      1.590 CV     1
 OR {  499}
   (  segid B    and resid 118  and name HD2%)
   (( segid B    and resid 118  and name HG  ))
 ASSI {  505}
   (( segid A    and resid 35   and name HA  ))
   (( segid A    and resid 35   and name HB1 ))
      2.500     0.800     0.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.46548E-02 ppm1      4.036 ppm2      1.617 CV     1
 OR {  505}
   (( segid B    and resid 35   and name HA  ))
   (( segid B    and resid 35   and name HB1 ))
 ASSI {  506}
   (( segid B    and resid 47   and name HA  ))
   (  segid B    and resid 46   and name HB% )
      2.900     1.000     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.50276E-02 ppm1      4.145 ppm2      1.621 CV     1
 OR {  506}
   (( segid A    and resid 47   and name HA  ))
   (  segid A    and resid 46   and name HB% )
 ASSI {  508}
   (( segid A    and resid 22   and name HD1 ))
   (( segid A    and resid 22   and name HB1 ))
      3.300     1.400     1.400 peak   508 spectrum    1 weight  0.10000E+01 volume  0.29013E-02 ppm1      3.219 ppm2      1.623 CV     1
 OR {  508}
   (( segid B    and resid 22   and name HD2 ))
   (( segid B    and resid 22   and name HB1 ))
 OR {  508}
   (( segid A    and resid 22   and name HD2 ))
   (( segid A    and resid 22   and name HB1 ))
 OR {  508}
   (( segid B    and resid 22   and name HD1 ))
   (( segid B    and resid 22   and name HB1 ))
 ASSI {  509}
   (  segid B    and resid 35   and name HD1%)
   (( segid B    and resid 35   and name HB1 ))
      2.500     0.800     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.57661E-02 ppm1      0.999 ppm2      1.629 CV     1
 OR {  509}
   (  segid A    and resid 35   and name HD1%)
   (( segid A    and resid 35   and name HB1 ))
 ASSI {  510}
   (( segid B    and resid 65   and name HB2 ))
   (( segid B    and resid 65   and name HB1 ))
      2.100     0.500     0.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.40470E-02 ppm1      1.755 ppm2      1.632 CV     1
 OR {  510}
   (( segid A    and resid 65   and name HB2 ))
   (( segid A    and resid 65   and name HB1 ))
 ASSI {  513}
   (( segid A    and resid 29   and name HB2 ))
   (( segid A    and resid 29   and name HB1 ))
      2.000     0.500     0.500 peak   513 spectrum    1 weight  0.10000E+01 volume  0.48000E-02 ppm1      1.941 ppm2      1.635 CV     1
 OR {  513}
   (( segid B    and resid 29   and name HB2 ))
   (( segid B    and resid 29   and name HB1 ))
 ASSI {  515}
   (( segid A    and resid 70   and name HA  ))
   (  segid A    and resid 70   and name HB% )
      1.700     0.300     0.500 peak   515 spectrum    1 weight  0.10000E+01 volume  0.58506E-01 ppm1      4.335 ppm2      1.636 CV     1
 OR {  515}
   (( segid B    and resid 70   and name HA  ))
   (  segid B    and resid 70   and name HB% )
 ASSI {  516}
   (( segid B    and resid 69   and name HB2 ))
   (  segid B    and resid 70   and name HB% )
      3.500     1.500     1.500 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17418E-02 ppm1      2.311 ppm2      1.638 CV     1
 OR {  516}
   (( segid A    and resid 69   and name HB2 ))
   (  segid A    and resid 70   and name HB% )
 ASSI {  517}
   (( segid B    and resid 50   and name HA  ))
   (( segid B    and resid 50   and name HG  ))
      3.100     1.200     1.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.18737E-02 ppm1      5.600 ppm2      1.639 CV     1
 OR {  517}
   (( segid A    and resid 50   and name HA  ))
   (( segid A    and resid 50   and name HG  ))
 ASSI {  519}
   (  segid B    and resid 73   and name HB% )
   (  segid B    and resid 70   and name HB% )
      2.500     0.800     0.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.28350E-01 ppm1      1.496 ppm2      1.639 CV     1
 OR {  519}
   (  segid A    and resid 73   and name HB% )
   (  segid A    and resid 70   and name HB% )
 ASSI {  520}
   (( segid B    and resid 69   and name HB1 ))
   (  segid B    and resid 70   and name HB% )
      3.800     1.800     1.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.18548E-02 ppm1      2.030 ppm2      1.640 CV     1
 OR {  520}
   (( segid A    and resid 69   and name HB1 ))
   (  segid A    and resid 70   and name HB% )
 ASSI {  521}
   (  segid A    and resid 48   and name HB% )
   (( segid A    and resid 50   and name HG  ))
      2.700     0.900     0.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.88568E-02 ppm1      1.125 ppm2      1.642 CV     1
 OR {  521}
   (  segid B    and resid 48   and name HB% )
   (( segid B    and resid 50   and name HG  ))
 OR {  521}
   (  segid B    and resid 48   and name HB% )
   (( segid B    and resid 50   and name HB1 ))
 OR {  521}
   (  segid A    and resid 48   and name HB% )
   (( segid A    and resid 50   and name HB2 ))
 OR {  521}
   (  segid B    and resid 48   and name HB% )
   (( segid B    and resid 50   and name HB2 ))
 ASSI {  522}
   (( segid A    and resid 29   and name HG  ))
   (( segid A    and resid 29   and name HB1 ))
      2.700     0.900     0.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.38261E-02 ppm1      1.257 ppm2      1.643 CV     1
 OR {  522}
   (( segid B    and resid 29   and name HG  ))
   (( segid B    and resid 29   and name HB1 ))
 ASSI {  523}
   (  segid B    and resid 106  and name HE% )
   (( segid B    and resid 54   and name HG  ))
      2.900     1.000     1.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.69477E-02 ppm1      2.071 ppm2      1.643 CV     1
 OR {  523}
   (  segid A    and resid 106  and name HE% )
   (( segid A    and resid 54   and name HG  ))
 ASSI {  524}
   (( segid A    and resid 54   and name HA  ))
   (( segid A    and resid 54   and name HG  ))
      3.600     1.700     1.700 peak   524 spectrum    1 weight  0.10000E+01 volume  0.11993E-02 ppm1      5.296 ppm2      1.646 CV     1
 OR {  524}
   (( segid B    and resid 54   and name HA  ))
   (( segid B    and resid 54   and name HG  ))
 ASSI {  527}
   (( segid A    and resid 22   and name HA  ))
   (( segid A    and resid 22   and name HB1 ))
      3.000     1.100     1.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.15017E-02 ppm1      5.709 ppm2      1.652 CV     1
 OR {  527}
   (( segid B    and resid 22   and name HA  ))
   (( segid B    and resid 22   and name HB1 ))
 ASSI {  531}
   (  segid A    and resid 5    and name HD1%)
   (( segid A    and resid 5    and name HB2 ))
      2.000     0.500     0.500 peak   531 spectrum    1 weight  0.10000E+01 volume  0.49648E-01 ppm1      0.907 ppm2      1.663 CV     1
 OR {  531}
   (  segid A    and resid 5    and name HD1%)
   (( segid A    and resid 5    and name HB1 ))
 OR {  531}
   (( segid B    and resid 5    and name HD12))
   (( segid B    and resid 5    and name HB1 ))
 OR {  531}
   (( segid B    and resid 5    and name HD11))
   (( segid B    and resid 5    and name HB1 ))
 OR {  531}
   (( segid B    and resid 5    and name HD12))
   (( segid B    and resid 5    and name HB2 ))
 OR {  531}
   (( segid B    and resid 5    and name HD13))
   (( segid B    and resid 5    and name HB1 ))
 ASSI {  532}
   (( segid B    and resid 121  and name HA  ))
   (( segid B    and resid 120  and name HB1 ))
      2.900     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.27226E-02 ppm1      4.351 ppm2      1.666 CV     1
 OR {  532}
   (( segid A    and resid 121  and name HA  ))
   (( segid A    and resid 120  and name HB1 ))
 ASSI {  533}
   (  segid A    and resid 5    and name HD2%)
   (( segid A    and resid 5    and name HB2 ))
      1.800     0.400     0.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.65337E-01 ppm1      0.963 ppm2      1.669 CV     1
 OR {  533}
   (  segid A    and resid 5    and name HD2%)
   (( segid A    and resid 5    and name HB1 ))
 OR {  533}
   (( segid B    and resid 5    and name HD21))
   (( segid B    and resid 5    and name HB1 ))
 OR {  533}
   (( segid B    and resid 5    and name HD21))
   (( segid B    and resid 5    and name HB2 ))
 OR {  533}
   (( segid B    and resid 5    and name HD23))
   (( segid B    and resid 5    and name HB2 ))
 OR {  533}
   (( segid B    and resid 5    and name HD22))
   (( segid B    and resid 5    and name HB2 ))
 ASSI {  534}
   (( segid B    and resid 35   and name HB2 ))
   (( segid B    and resid 35   and name HB1 ))
      2.200     0.600     0.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.26475E-02 ppm1      1.971 ppm2      1.669 CV     1
 OR {  534}
   (( segid A    and resid 35   and name HB2 ))
   (( segid A    and resid 35   and name HB1 ))
 ASSI {  535}
   (( segid B    and resid 5    and name HA  ))
   (( segid B    and resid 5    and name HB2 ))
      2.000     0.500     0.500 peak   535 spectrum    1 weight  0.10000E+01 volume  0.22420E-01 ppm1      4.398 ppm2      1.675 CV     1
 OR {  535}
   (( segid A    and resid 5    and name HA  ))
   (( segid A    and resid 5    and name HB1 ))
 OR {  535}
   (( segid B    and resid 5    and name HA  ))
   (( segid B    and resid 5    and name HB1 ))
 OR {  535}
   (( segid A    and resid 5    and name HA  ))
   (( segid A    and resid 5    and name HB2 ))
 ASSI {  537}
   (( segid A    and resid 32   and name HA  ))
   (( segid A    and resid 31   and name HG  ))
      2.400     2.400     3.600 peak   537 spectrum    1 weight  0.10000E+01 volume  0.29741E-02 ppm1      3.981 ppm2      1.680 CV     1
 OR {  537}
   (( segid B    and resid 32   and name HA  ))
   (( segid B    and resid 31   and name HG  ))
 ASSI {  540}
   (  segid A    and resid 97   and name HB% )
   (( segid A    and resid 98   and name HB1 ))
      2.500     2.500     3.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.13054E-01 ppm1      1.478 ppm2      1.682 CV     1
 OR {  540}
   (  segid B    and resid 97   and name HB% )
   (( segid B    and resid 98   and name HB1 ))
 OR {  540}
   (  segid A    and resid 97   and name HB% )
   (( segid A    and resid 98   and name HD1 ))
 OR {  540}
   (  segid B    and resid 97   and name HB% )
   (( segid B    and resid 98   and name HD1 ))
 OR {  540}
   (  segid A    and resid 97   and name HB% )
   (( segid A    and resid 98   and name HD2 ))
 ASSI {  542}
   (( segid A    and resid 98   and name HG1 ))
   (( segid A    and resid 98   and name HB1 ))
      2.000     0.500     0.500 peak   542 spectrum    1 weight  0.10000E+01 volume  0.19707E-01 ppm1      1.307 ppm2      1.683 CV     1
 OR {  542}
   (( segid B    and resid 98   and name HG1 ))
   (( segid B    and resid 98   and name HB1 ))
 ASSI {  543}
   (( segid B    and resid 89   and name HG1 ))
   (( segid B    and resid 91   and name HG  ))
      3.200     1.200     1.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.18207E-02 ppm1      2.043 ppm2      1.690 CV     1
 OR {  543}
   (( segid A    and resid 89   and name HG1 ))
   (( segid A    and resid 91   and name HG  ))
 ASSI {  546}
   (( segid A    and resid 100  and name HG2 ))
   (( segid A    and resid 100  and name HB2 ))
      2.900     1.100     1.100 peak   546 spectrum    1 weight  0.10000E+01 volume  0.37592E-02 ppm1      1.494 ppm2      1.701 CV     1
 OR {  546}
   (( segid B    and resid 100  and name HG2 ))
   (( segid B    and resid 100  and name HB2 ))
 ASSI {  548}
   (( segid B    and resid 100  and name HA  ))
   (( segid B    and resid 100  and name HB2 ))
      2.900     1.100     1.100 peak   548 spectrum    1 weight  0.10000E+01 volume  0.35817E-02 ppm1      4.125 ppm2      1.705 CV     1
 OR {  548}
   (( segid A    and resid 100  and name HA  ))
   (( segid A    and resid 100  and name HB2 ))
 ASSI {  550}
   (( segid A    and resid 89   and name HB2 ))
   (( segid A    and resid 91   and name HG  ))
      2.900     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.33342E-02 ppm1      2.074 ppm2      1.706 CV     1
 OR {  550}
   (( segid B    and resid 89   and name HB2 ))
   (( segid B    and resid 91   and name HG  ))
 ASSI {  551}
   (( segid A    and resid 22   and name HA  ))
   (( segid A    and resid 22   and name HG1 ))
      3.500     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      5.711 ppm2      1.709 CV     1
 OR {  551}
   (( segid B    and resid 22   and name HA  ))
   (( segid B    and resid 22   and name HG2 ))
 OR {  551}
   (( segid A    and resid 22   and name HA  ))
   (( segid A    and resid 22   and name HG2 ))
 OR {  551}
   (( segid B    and resid 22   and name HA  ))
   (( segid B    and resid 22   and name HG1 ))
 ASSI {  552}
   (( segid A    and resid 81   and name HB2 ))
   (( segid A    and resid 81   and name HG1 ))
      2.100     0.600     0.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.15272E-01 ppm1      1.980 ppm2      1.709 CV     1
 OR {  552}
   (( segid B    and resid 81   and name HB2 ))
   (( segid B    and resid 81   and name HG2 ))
 OR {  552}
   (( segid A    and resid 81   and name HB2 ))
   (( segid A    and resid 81   and name HG2 ))
 OR {  552}
   (( segid B    and resid 81   and name HB2 ))
   (( segid B    and resid 81   and name HG1 ))
 ASSI {  553}
   (( segid A    and resid 22   and name HB1 ))
   (( segid A    and resid 22   and name HG1 ))
      2.800     1.000     1.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.26557E-02 ppm1      1.623 ppm2      1.712 CV     1
 OR {  553}
   (( segid B    and resid 22   and name HB1 ))
   (( segid B    and resid 22   and name HG2 ))
 OR {  553}
   (( segid B    and resid 22   and name HB1 ))
   (( segid B    and resid 22   and name HG1 ))
 OR {  553}
   (( segid A    and resid 22   and name HB1 ))
   (( segid A    and resid 22   and name HG2 ))
 ASSI {  554}
   (( segid B    and resid 24   and name HA  ))
   (( segid B    and resid 24   and name HB2 ))
      2.800     0.900     0.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.28642E-02 ppm1      5.112 ppm2      1.712 CV     1
 OR {  554}
   (( segid A    and resid 24   and name HA  ))
   (( segid A    and resid 24   and name HB1 ))
 OR {  554}
   (( segid B    and resid 24   and name HA  ))
   (( segid B    and resid 24   and name HB1 ))
 OR {  554}
   (( segid A    and resid 24   and name HA  ))
   (( segid A    and resid 24   and name HB2 ))
 ASSI {  555}
   (  segid B    and resid 16   and name HD2%)
   (( segid B    and resid 98   and name HB1 ))
      2.200     0.600     0.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.10429E-01 ppm1      0.791 ppm2      1.714 CV     1
 OR {  555}
   (  segid A    and resid 16   and name HD2%)
   (( segid A    and resid 98   and name HB1 ))
 ASSI {  556}
   (( segid B    and resid 98   and name HB2 ))
   (( segid B    and resid 98   and name HB1 ))
      1.200     0.200     1.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.61687E-01 ppm1      1.792 ppm2      1.718 CV     1
 OR {  556}
   (( segid A    and resid 98   and name HB2 ))
   (( segid A    and resid 98   and name HB1 ))
 ASSI {  557}
   (( segid A    and resid 98   and name HA  ))
   (( segid A    and resid 98   and name HB1 ))
      2.100     0.600     0.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.13514E-01 ppm1      4.402 ppm2      1.719 CV     1
 OR {  557}
   (( segid B    and resid 98   and name HA  ))
   (( segid B    and resid 98   and name HB1 ))
 ASSI {  558}
   (  segid A    and resid 96   and name HD1%)
   (( segid A    and resid 98   and name HB1 ))
      3.600     1.600     1.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.23593E-02 ppm1      0.924 ppm2      1.722 CV     1
 OR {  558}
   (  segid B    and resid 96   and name HD1%)
   (( segid B    and resid 98   and name HB1 ))
 ASSI {  560}
   (( segid B    and resid 44   and name HA  ))
   (( segid B    and resid 47   and name HG1 ))
      3.200     1.300     1.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.23758E-02 ppm1      4.214 ppm2      1.727 CV     1
 OR {  560}
   (( segid A    and resid 44   and name HA  ))
   (( segid A    and resid 47   and name HG1 ))
 OR {  560}
   (( segid B    and resid 44   and name HA  ))
   (( segid B    and resid 47   and name HG2 ))
 OR {  560}
   (( segid A    and resid 44   and name HA  ))
   (( segid A    and resid 47   and name HG2 ))
 ASSI {  561}
   (( segid B    and resid 47   and name HA  ))
   (( segid B    and resid 47   and name HG1 ))
      2.300     0.600     0.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.12471E-01 ppm1      4.144 ppm2      1.729 CV     1
 OR {  561}
   (( segid A    and resid 47   and name HA  ))
   (( segid A    and resid 47   and name HG1 ))
 OR {  561}
   (( segid A    and resid 47   and name HA  ))
   (( segid A    and resid 47   and name HG2 ))
 OR {  561}
   (( segid B    and resid 47   and name HA  ))
   (( segid B    and resid 47   and name HG2 ))
 ASSI {  562}
   (( segid B    and resid 22   and name HD1 ))
   (( segid B    and resid 22   and name HG2 ))
      2.400     0.700     0.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.61496E-02 ppm1      3.221 ppm2      1.729 CV     1
 OR {  562}
   (( segid A    and resid 22   and name HD2 ))
   (( segid A    and resid 22   and name HG1 ))
 OR {  562}
   (( segid B    and resid 22   and name HD2 ))
   (( segid B    and resid 22   and name HG1 ))
 OR {  562}
   (( segid B    and resid 22   and name HD1 ))
   (( segid B    and resid 22   and name HG1 ))
 OR {  562}
   (( segid A    and resid 22   and name HD2 ))
   (( segid A    and resid 22   and name HG2 ))
 OR {  562}
   (( segid B    and resid 22   and name HD2 ))
   (( segid B    and resid 22   and name HG2 ))
 OR {  562}
   (( segid A    and resid 22   and name HD1 ))
   (( segid A    and resid 22   and name HG1 ))
 ASSI {  568}
   (( segid B    and resid 48   and name HA  ))
   (  segid B    and resid 71   and name HB% )
      3.100     1.200     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.24893E-02 ppm1      4.349 ppm2      1.753 CV     1
 OR {  568}
   (( segid A    and resid 48   and name HA  ))
   (  segid A    and resid 71   and name HB% )
 ASSI {  569}
   (( segid A    and resid 81   and name HA  ))
   (( segid A    and resid 81   and name HG2 ))
      2.400     0.700     0.700 peak   569 spectrum    1 weight  0.10000E+01 volume  0.11579E-01 ppm1      4.514 ppm2      1.754 CV     1
 OR {  569}
   (( segid B    and resid 81   and name HA  ))
   (( segid B    and resid 81   and name HG1 ))
 OR {  569}
   (( segid B    and resid 81   and name HA  ))
   (( segid B    and resid 81   and name HG2 ))
 OR {  569}
   (( segid A    and resid 81   and name HA  ))
   (( segid A    and resid 81   and name HG1 ))
 ASSI {  574}
   (( segid B    and resid 87   and name HA  ))
   (( segid B    and resid 88   and name HB  ))
      3.500     1.600     1.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.18080E-02 ppm1      4.192 ppm2      1.760 CV     1
 OR {  574}
   (( segid A    and resid 87   and name HA  ))
   (( segid A    and resid 88   and name HB  ))
 ASSI {  575}
   (( segid A    and resid 72   and name HA  ))
   (  segid A    and resid 71   and name HB% )
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.28930E-02 ppm1      3.457 ppm2      1.760 CV     1
 OR {  575}
   (( segid B    and resid 72   and name HA  ))
   (  segid B    and resid 71   and name HB% )
 ASSI {  576}
   (  segid A    and resid 65   and name HD1%)
   (( segid A    and resid 65   and name HG  ))
      1.800     0.400     0.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.37414E-01 ppm1      0.913 ppm2      1.760 CV     1
 OR {  576}
   (  segid B    and resid 65   and name HD1%)
   (( segid B    and resid 65   and name HG  ))
 OR {  576}
   (  segid A    and resid 65   and name HD1%)
   (( segid A    and resid 65   and name HB2 ))
 OR {  576}
   (  segid B    and resid 65   and name HD1%)
   (( segid B    and resid 65   and name HB2 ))
 ASSI {  577}
   (  segid B    and resid 72   and name HG2%)
   (  segid B    and resid 71   and name HB% )
      2.600     0.900     0.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.11777E-01 ppm1      0.742 ppm2      1.761 CV     1
 OR {  577}
   (  segid A    and resid 72   and name HG2%)
   (  segid A    and resid 71   and name HB% )
 ASSI {  579}
   (( segid A    and resid 71   and name HA  ))
   (  segid A    and resid 71   and name HB% )
      1.900     0.400     0.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.31851E-01 ppm1      4.425 ppm2      1.762 CV     1
 OR {  579}
   (( segid B    and resid 71   and name HA  ))
   (  segid B    and resid 71   and name HB% )
 ASSI {  580}
   (( segid B    and resid 80   and name HG1 ))
   (( segid B    and resid 76   and name HB1 ))
      2.400     0.700     0.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.29435E-02 ppm1      2.049 ppm2      1.763 CV     1
 OR {  580}
   (( segid A    and resid 80   and name HG1 ))
   (( segid A    and resid 76   and name HB1 ))
 ASSI {  585}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 88   and name HB  ))
      2.100     0.600     0.600 peak   585 spectrum    1 weight  0.10000E+01 volume  0.12991E-01 ppm1      0.135 ppm2      1.771 CV     1
 OR {  585}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 88   and name HB  ))
 ASSI {  586}
   (  segid A    and resid 72   and name HG1%)
   (  segid A    and resid 71   and name HB% )
      3.000     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.96136E-02 ppm1      0.803 ppm2      1.772 CV     1
 OR {  586}
   (  segid B    and resid 72   and name HG1%)
   (  segid B    and resid 71   and name HB% )
 ASSI {  587}
   (( segid B    and resid 76   and name HA  ))
   (( segid B    and resid 76   and name HB1 ))
      2.400     0.700     0.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.40277E-02 ppm1      4.348 ppm2      1.772 CV     1
 OR {  587}
   (( segid A    and resid 76   and name HA  ))
   (( segid A    and resid 76   and name HB1 ))
 ASSI {  589}
   (  segid A    and resid 73   and name HB% )
   (( segid A    and resid 76   and name HB1 ))
      3.000     1.200     1.200 peak   589 spectrum    1 weight  0.10000E+01 volume  0.69884E-02 ppm1      1.493 ppm2      1.772 CV     1
 OR {  589}
   (  segid B    and resid 73   and name HB% )
   (( segid B    and resid 76   and name HB1 ))
 ASSI {  590}
   (  segid B    and resid 76   and name HE% )
   (( segid B    and resid 76   and name HB1 ))
      2.300     0.600     0.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.11402E-01 ppm1      1.361 ppm2      1.773 CV     1
 OR {  590}
   (  segid A    and resid 76   and name HE% )
   (( segid A    and resid 76   and name HB1 ))
 ASSI {  592}
   (( segid A    and resid 76   and name HB2 ))
   (( segid A    and resid 76   and name HB1 ))
      1.900     0.400     0.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.68927E-02 ppm1      2.071 ppm2      1.775 CV     1
 OR {  592}
   (( segid B    and resid 76   and name HB2 ))
   (( segid B    and resid 76   and name HB1 ))
 ASSI {  594}
   (( segid B    and resid 80   and name HG2 ))
   (( segid B    and resid 76   and name HB1 ))
      2.700     0.900     0.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.30639E-02 ppm1      2.331 ppm2      1.777 CV     1
 OR {  594}
   (( segid A    and resid 80   and name HG2 ))
   (( segid A    and resid 76   and name HB1 ))
 ASSI {  596}
   (( segid A    and resid 77   and name HB2 ))
   (( segid A    and resid 76   and name HB1 ))
      4.100     2.100     1.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.13824E-02 ppm1      3.871 ppm2      1.778 CV     1
 OR {  596}
   (( segid A    and resid 77   and name HB1 ))
   (( segid A    and resid 76   and name HB1 ))
 OR {  596}
   (( segid B    and resid 77   and name HB2 ))
   (( segid B    and resid 76   and name HB1 ))
 OR {  596}
   (( segid B    and resid 77   and name HB1 ))
   (( segid B    and resid 76   and name HB1 ))
 ASSI {  600}
   (( segid A    and resid 23   and name HA  ))
   (( segid A    and resid 88   and name HB  ))
      3.900     1.900     1.900 peak   600 spectrum    1 weight  0.10000E+01 volume  0.13648E-02 ppm1      5.102 ppm2      1.780 CV     1
 OR {  600}
   (( segid B    and resid 23   and name HA  ))
   (( segid B    and resid 88   and name HB  ))
 ASSI {  601}
   (( segid B    and resid 88   and name HA  ))
   (( segid B    and resid 88   and name HB  ))
      2.900     1.000     1.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.14211E-02 ppm1      3.723 ppm2      1.781 CV     1
 OR {  601}
   (( segid A    and resid 88   and name HA  ))
   (( segid A    and resid 88   and name HB  ))
 ASSI {  603}
   (( segid A    and resid 73   and name HA  ))
   (( segid A    and resid 76   and name HB1 ))
      3.600     1.600     1.600 peak   603 spectrum    1 weight  0.10000E+01 volume  0.29437E-02 ppm1      4.011 ppm2      1.783 CV     1
 OR {  603}
   (( segid B    and resid 73   and name HA  ))
   (( segid B    and resid 76   and name HB1 ))
 ASSI {  606}
   (  segid A    and resid 65   and name HD2%)
   (( segid A    and resid 65   and name HG  ))
      2.100     0.600     0.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.13611E-01 ppm1      0.975 ppm2      1.790 CV     1
 OR {  606}
   (  segid B    and resid 65   and name HD2%)
   (( segid B    and resid 65   and name HG  ))
 OR {  606}
   (  segid B    and resid 65   and name HD2%)
   (( segid B    and resid 65   and name HB2 ))
 ASSI {  608}
   (( segid A    and resid 98   and name HG2 ))
   (( segid A    and resid 98   and name HB2 ))
      2.300     0.600     0.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.97350E-02 ppm1      1.417 ppm2      1.792 CV     1
 OR {  608}
   (( segid B    and resid 98   and name HG2 ))
   (( segid B    and resid 98   and name HB2 ))
 ASSI {  610}
   (( segid A    and resid 98   and name HE1 ))
   (( segid A    and resid 98   and name HB2 ))
      2.900     1.000     1.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.58438E-02 ppm1      3.017 ppm2      1.795 CV     1
 OR {  610}
   (( segid B    and resid 98   and name HE1 ))
   (( segid B    and resid 98   and name HB2 ))
 OR {  610}
   (( segid A    and resid 98   and name HE2 ))
   (( segid A    and resid 98   and name HB2 ))
 OR {  610}
   (( segid B    and resid 98   and name HE2 ))
   (( segid B    and resid 98   and name HB2 ))
 ASSI {  611}
   (  segid A    and resid 38   and name HG1%)
   (( segid A    and resid 37   and name HB  ))
      3.200     3.200     2.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.30477E-02 ppm1      1.214 ppm2      1.795 CV     1
 OR {  611}
   (  segid B    and resid 38   and name HG1%)
   (( segid B    and resid 37   and name HB  ))
 ASSI {  613}
   (( segid B    and resid 98   and name HD1 ))
   (( segid B    and resid 98   and name HB2 ))
      2.400     0.700     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.12868E-01 ppm1      1.682 ppm2      1.806 CV     1
 OR {  613}
   (( segid A    and resid 98   and name HD1 ))
   (( segid A    and resid 98   and name HB2 ))
 OR {  613}
   (( segid A    and resid 98   and name HD2 ))
   (( segid A    and resid 98   and name HB2 ))
 OR {  613}
   (( segid B    and resid 98   and name HD2 ))
   (( segid B    and resid 98   and name HB2 ))
 ASSI {  614}
   (( segid B    and resid 16   and name HG  ))
   (( segid B    and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.44472E-02 ppm1      1.553 ppm2      1.808 CV     1
 OR {  614}
   (( segid A    and resid 16   and name HG  ))
   (( segid A    and resid 16   and name HB2 ))
 ASSI {  615}
   (( segid A    and resid 81   and name HG2 ))
   (( segid A    and resid 81   and name HB1 ))
      1.600     0.300     0.600 peak   615 spectrum    1 weight  0.10000E+01 volume  0.74299E-01 ppm1      1.703 ppm2      1.812 CV     1
 OR {  615}
   (( segid B    and resid 81   and name HG1 ))
   (( segid B    and resid 81   and name HB1 ))
 OR {  615}
   (( segid A    and resid 81   and name HG1 ))
   (( segid A    and resid 81   and name HB1 ))
 OR {  615}
   (( segid B    and resid 81   and name HG2 ))
   (( segid B    and resid 81   and name HB1 ))
 ASSI {  616}
   (( segid A    and resid 22   and name HD1 ))
   (( segid A    and resid 22   and name HB2 ))
      3.500     1.500     1.500 peak   616 spectrum    1 weight  0.10000E+01 volume  0.24036E-02 ppm1      3.221 ppm2      1.815 CV     1
 OR {  616}
   (( segid B    and resid 22   and name HD2 ))
   (( segid B    and resid 22   and name HB2 ))
 OR {  616}
   (( segid A    and resid 22   and name HD2 ))
   (( segid A    and resid 22   and name HB2 ))
 OR {  616}
   (( segid B    and resid 22   and name HD1 ))
   (( segid B    and resid 22   and name HB2 ))
 ASSI {  617}
   (  segid B    and resid 34   and name HD1%)
   (( segid B    and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak   617 spectrum    1 weight  0.10000E+01 volume  0.20004E-02 ppm1      0.747 ppm2      1.815 CV     1
 OR {  617}
   (  segid A    and resid 34   and name HD1%)
   (( segid A    and resid 34   and name HB2 ))
 ASSI {  618}
   (  segid A    and resid 16   and name HD2%)
   (( segid A    and resid 16   and name HB2 ))
      1.900     0.500     0.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.13497E-01 ppm1      0.792 ppm2      1.817 CV     1
 OR {  618}
   (  segid B    and resid 16   and name HD2%)
   (( segid B    and resid 16   and name HB2 ))
 ASSI {  619}
   (  segid A    and resid 96   and name HD1%)
   (( segid A    and resid 98   and name HB2 ))
      3.000     1.100     1.100 peak   619 spectrum    1 weight  0.10000E+01 volume  0.35142E-02 ppm1      0.920 ppm2      1.817 CV     1
 OR {  619}
   (  segid B    and resid 96   and name HD1%)
   (( segid B    and resid 98   and name HB2 ))
 ASSI {  621}
   (  segid A    and resid 34   and name HD2%)
   (( segid A    and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak   621 spectrum    1 weight  0.10000E+01 volume  0.24516E-02 ppm1      0.639 ppm2      1.820 CV     1
 OR {  621}
   (  segid B    and resid 34   and name HD2%)
   (( segid B    and resid 34   and name HB2 ))
 ASSI {  622}
   (( segid B    and resid 81   and name HA  ))
   (( segid B    and resid 81   and name HB1 ))
      2.400     0.700     0.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.81454E-02 ppm1      4.512 ppm2      1.820 CV     1
 OR {  622}
   (( segid A    and resid 81   and name HA  ))
   (( segid A    and resid 81   and name HB1 ))
 ASSI {  623}
   (  segid B    and resid 73   and name HB% )
   (( segid B    and resid 72   and name HB  ))
      3.000     1.100     1.100 peak   623 spectrum    1 weight  0.10000E+01 volume  0.57496E-02 ppm1      1.487 ppm2      1.821 CV     1
 OR {  623}
   (  segid A    and resid 73   and name HB% )
   (( segid A    and resid 72   and name HB  ))
 ASSI {  626}
   (  segid B    and resid 16   and name HD1%)
   (( segid B    and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.80868E-02 ppm1      0.764 ppm2      1.825 CV     1
 OR {  626}
   (  segid A    and resid 16   and name HD1%)
   (( segid A    and resid 16   and name HB2 ))
 ASSI {  629}
   (( segid B    and resid 34   and name HB1 ))
   (( segid B    and resid 34   and name HB2 ))
      2.200     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.32287E-02 ppm1      1.552 ppm2      1.827 CV     1
 OR {  629}
   (( segid A    and resid 34   and name HB1 ))
   (( segid A    and resid 34   and name HB2 ))
 ASSI {  631}
   (  segid B    and resid 37   and name HD1%)
   (( segid B    and resid 37   and name HB  ))
      2.700     0.900     0.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.52783E-02 ppm1      0.443 ppm2      1.830 CV     1
 OR {  631}
   (  segid A    and resid 37   and name HD1%)
   (( segid A    and resid 37   and name HB  ))
 ASSI {  632}
   (( segid A    and resid 72   and name HA  ))
   (( segid A    and resid 72   and name HB  ))
      2.900     1.000     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.28109E-02 ppm1      3.457 ppm2      1.831 CV     1
 OR {  632}
   (( segid B    and resid 72   and name HA  ))
   (( segid B    and resid 72   and name HB  ))
 ASSI {  633}
   (  segid B    and resid 17   and name HG1%)
   (( segid B    and resid 72   and name HB  ))
      2.700     0.900     0.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.54599E-02 ppm1      0.883 ppm2      1.833 CV     1
 OR {  633}
   (  segid A    and resid 17   and name HG1%)
   (( segid A    and resid 72   and name HB  ))
 ASSI {  635}
   (( segid B    and resid 81   and name HB2 ))
   (( segid B    and resid 81   and name HB1 ))
      1.300     0.200     0.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.71888E-01 ppm1      1.977 ppm2      1.833 CV     1
 OR {  635}
   (( segid A    and resid 81   and name HB2 ))
   (( segid A    and resid 81   and name HB1 ))
 ASSI {  636}
   (  segid B    and resid 72   and name HG2%)
   (( segid B    and resid 72   and name HB  ))
      2.000     0.500     0.500 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15260E-01 ppm1      0.740 ppm2      1.837 CV     1
 OR {  636}
   (  segid A    and resid 72   and name HG2%)
   (( segid A    and resid 72   and name HB  ))
 ASSI {  637}
   (  segid B    and resid 72   and name HG1%)
   (( segid B    and resid 72   and name HB  ))
      2.100     0.500     0.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15003E-01 ppm1      0.804 ppm2      1.837 CV     1
 OR {  637}
   (  segid A    and resid 72   and name HG1%)
   (( segid A    and resid 72   and name HB  ))
 ASSI {  638}
   (( segid A    and resid 96   and name HG12))
   (( segid A    and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   638 spectrum    1 weight  0.10000E+01 volume  0.49170E-02 ppm1      1.257 ppm2      1.841 CV     1
 OR {  638}
   (( segid B    and resid 96   and name HG12))
   (( segid B    and resid 16   and name HB2 ))
 ASSI {  639}
   (  segid B    and resid 37   and name HG2%)
   (( segid B    and resid 37   and name HB  ))
      2.600     0.800     0.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.41672E-02 ppm1     -0.681 ppm2      1.843 CV     1
 OR {  639}
   (  segid A    and resid 37   and name HG2%)
   (( segid A    and resid 37   and name HB  ))
 ASSI {  641}
   (( segid B    and resid 69   and name HA  ))
   (( segid B    and resid 72   and name HB  ))
      2.600     0.900     0.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.43692E-02 ppm1      4.120 ppm2      1.845 CV     1
 OR {  641}
   (( segid A    and resid 69   and name HA  ))
   (( segid A    and resid 72   and name HB  ))
 ASSI {  646}
   (  segid B    and resid 31   and name HD1%)
   (( segid B    and resid 35   and name HG  ))
      2.600     0.800     0.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.56398E-02 ppm1      0.786 ppm2      1.894 CV     1
 OR {  646}
   (  segid A    and resid 31   and name HD1%)
   (( segid A    and resid 35   and name HG  ))
 ASSI {  648}
   (( segid B    and resid 90   and name HA  ))
   (( segid B    and resid 90   and name HB  ))
      2.800     1.000     1.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.24175E-02 ppm1      4.056 ppm2      1.898 CV     1
 OR {  648}
   (( segid A    and resid 90   and name HA  ))
   (( segid A    and resid 90   and name HB  ))
 ASSI {  649}
   (( segid B    and resid 91   and name HA  ))
   (( segid B    and resid 90   and name HB  ))
      2.900     1.000     1.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.31368E-02 ppm1      4.473 ppm2      1.898 CV     1
 OR {  649}
   (( segid A    and resid 91   and name HA  ))
   (( segid A    and resid 90   and name HB  ))
 ASSI {  650}
   (  segid A    and resid 35   and name HD1%)
   (( segid A    and resid 35   and name HG  ))
      2.500     0.800     0.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.52007E-02 ppm1      1.010 ppm2      1.905 CV     1
 OR {  650}
   (  segid B    and resid 35   and name HD1%)
   (( segid B    and resid 35   and name HG  ))
 ASSI {  652}
   (( segid B    and resid 90   and name HG12))
   (( segid B    and resid 90   and name HB  ))
      2.500     0.800     0.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.53866E-02 ppm1      1.471 ppm2      1.908 CV     1
 OR {  652}
   (( segid A    and resid 90   and name HG12))
   (( segid A    and resid 90   and name HB  ))
 ASSI {  654}
   (  segid B    and resid 92   and name HB% )
   (( segid B    and resid 90   and name HB  ))
      3.700     1.700     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.19659E-02 ppm1      1.431 ppm2      1.913 CV     1
 OR {  654}
   (  segid A    and resid 92   and name HB% )
   (( segid A    and resid 90   and name HB  ))
 ASSI {  655}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 90   and name HB  ))
      1.900     0.500     0.500 peak   655 spectrum    1 weight  0.10000E+01 volume  0.21590E-01 ppm1      0.929 ppm2      1.914 CV     1
 OR {  655}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 90   and name HB  ))
 ASSI {  656}
   (( segid B    and resid 82   and name HB2 ))
   (( segid B    and resid 83   and name HG2 ))
      3.100     1.200     1.200 peak   656 spectrum    1 weight  0.10000E+01 volume  0.22245E-02 ppm1      2.875 ppm2      1.914 CV     1
 OR {  656}
   (( segid A    and resid 82   and name HB2 ))
   (( segid A    and resid 83   and name HG2 ))
 OR {  656}
   (( segid B    and resid 82   and name HB2 ))
   (( segid B    and resid 83   and name HG1 ))
 OR {  656}
   (( segid A    and resid 82   and name HB2 ))
   (( segid A    and resid 83   and name HG1 ))
 ASSI {  659}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 90   and name HB  ))
      2.400     0.700     0.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.11644E-01 ppm1      0.651 ppm2      1.917 CV     1
 OR {  659}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 90   and name HB  ))
 ASSI {  660}
   (( segid A    and resid 113  and name HA  ))
   (( segid A    and resid 116  and name HB1 ))
      3.500     1.500     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.12809E-02 ppm1      4.049 ppm2      1.922 CV     1
 OR {  660}
   (( segid B    and resid 113  and name HA  ))
   (( segid B    and resid 116  and name HB1 ))
 OR {  660}
   (( segid A    and resid 113  and name HA  ))
   (( segid A    and resid 116  and name HB2 ))
 OR {  660}
   (( segid B    and resid 113  and name HA  ))
   (( segid B    and resid 116  and name HB2 ))
 ASSI {  662}
   (( segid A    and resid 47   and name HA  ))
   (( segid A    and resid 47   and name HB2 ))
      2.000     0.500     0.500 peak   662 spectrum    1 weight  0.10000E+01 volume  0.23136E-01 ppm1      4.145 ppm2      1.929 CV     1
 OR {  662}
   (( segid B    and resid 47   and name HA  ))
   (( segid B    and resid 47   and name HB2 ))
 OR {  662}
   (( segid A    and resid 47   and name HA  ))
   (( segid A    and resid 47   and name HB1 ))
 OR {  662}
   (( segid B    and resid 47   and name HA  ))
   (( segid B    and resid 47   and name HB1 ))
 ASSI {  664}
   (( segid B    and resid 83   and name HB2 ))
   (( segid B    and resid 83   and name HG2 ))
      2.200     0.600     0.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.10502E-01 ppm1      2.133 ppm2      1.930 CV     1
 OR {  664}
   (( segid A    and resid 83   and name HB2 ))
   (( segid A    and resid 83   and name HG2 ))
 OR {  664}
   (( segid B    and resid 83   and name HB2 ))
   (( segid B    and resid 83   and name HG1 ))
 OR {  664}
   (( segid A    and resid 83   and name HB2 ))
   (( segid A    and resid 83   and name HG1 ))
 ASSI {  665}
   (( segid A    and resid 32   and name HA  ))
   (( segid A    and resid 32   and name HB1 ))
      2.500     0.800     0.800 peak   665 spectrum    1 weight  0.10000E+01 volume  0.63028E-02 ppm1      3.988 ppm2      1.931 CV     1
 OR {  665}
   (( segid B    and resid 32   and name HA  ))
   (( segid B    and resid 32   and name HB1 ))
 OR {  665}
   (( segid A    and resid 32   and name HA  ))
   (( segid A    and resid 32   and name HB2 ))
 OR {  665}
   (( segid B    and resid 32   and name HA  ))
   (( segid B    and resid 32   and name HB2 ))
 ASSI {  666}
   (( segid B    and resid 82   and name HA  ))
   (( segid B    and resid 83   and name HG2 ))
      3.000     1.100     1.100 peak   666 spectrum    1 weight  0.10000E+01 volume  0.26429E-02 ppm1      4.478 ppm2      1.932 CV     1
 OR {  666}
   (( segid A    and resid 82   and name HA  ))
   (( segid A    and resid 83   and name HG2 ))
 OR {  666}
   (( segid A    and resid 82   and name HA  ))
   (( segid A    and resid 83   and name HG1 ))
 OR {  666}
   (( segid B    and resid 82   and name HA  ))
   (( segid B    and resid 83   and name HG1 ))
 ASSI {  668}
   (( segid B    and resid 83   and name HB1 ))
   (( segid B    and resid 83   and name HG1 ))
      2.200     0.600     0.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.13754E-01 ppm1      2.065 ppm2      1.933 CV     1
 OR {  668}
   (( segid A    and resid 83   and name HB1 ))
   (( segid A    and resid 83   and name HG1 ))
 OR {  668}
   (( segid B    and resid 83   and name HB1 ))
   (( segid B    and resid 83   and name HG2 ))
 OR {  668}
   (( segid A    and resid 83   and name HB1 ))
   (( segid A    and resid 83   and name HG2 ))
 ASSI {  669}
   (( segid B    and resid 48   and name HA  ))
   (( segid B    and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.26038E-02 ppm1      4.344 ppm2      1.934 CV     1
 OR {  669}
   (( segid A    and resid 48   and name HA  ))
   (( segid A    and resid 47   and name HB1 ))
 ASSI {  671}
   (( segid A    and resid 44   and name HA  ))
   (( segid A    and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.44628E-02 ppm1      4.210 ppm2      1.936 CV     1
 OR {  671}
   (( segid B    and resid 44   and name HA  ))
   (( segid B    and resid 47   and name HB2 ))
 OR {  671}
   (( segid B    and resid 44   and name HA  ))
   (( segid B    and resid 47   and name HB1 ))
 OR {  671}
   (( segid A    and resid 44   and name HA  ))
   (( segid A    and resid 47   and name HB1 ))
 ASSI {  672}
   (  segid A    and resid 48   and name HB% )
   (( segid A    and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.46060E-02 ppm1      1.121 ppm2      1.937 CV     1
 OR {  672}
   (  segid B    and resid 48   and name HB% )
   (( segid B    and resid 47   and name HB1 ))
 ASSI {  675}
   (( segid A    and resid 35   and name HA  ))
   (( segid A    and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   675 spectrum    1 weight  0.10000E+01 volume  0.33985E-02 ppm1      4.037 ppm2      1.939 CV     1
 OR {  675}
   (( segid B    and resid 35   and name HA  ))
   (( segid B    and resid 35   and name HB2 ))
 ASSI {  676}
   (  segid A    and resid 26   and name HB% )
   (( segid A    and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   676 spectrum    1 weight  0.10000E+01 volume  0.61664E-02 ppm1      1.538 ppm2      1.940 CV     1
 OR {  676}
   (  segid B    and resid 26   and name HB% )
   (( segid B    and resid 29   and name HB2 ))
 ASSI {  677}
   (  segid B    and resid 97   and name HB% )
   (( segid B    and resid 99   and name HB2 ))
      3.000     1.100     1.100 peak   677 spectrum    1 weight  0.10000E+01 volume  0.32599E-02 ppm1      1.486 ppm2      1.943 CV     1
 OR {  677}
   (  segid A    and resid 97   and name HB% )
   (( segid A    and resid 99   and name HB2 ))
 OR {  677}
   (  segid B    and resid 97   and name HB% )
   (( segid B    and resid 99   and name HB1 ))
 OR {  677}
   (  segid A    and resid 97   and name HB% )
   (( segid A    and resid 99   and name HB1 ))
 ASSI {  679}
   (( segid A    and resid 89   and name HB2 ))
   (( segid A    and resid 89   and name HB1 ))
      1.600     0.300     0.600 peak   679 spectrum    1 weight  0.10000E+01 volume  0.20195E-01 ppm1      2.066 ppm2      1.949 CV     1
 OR {  679}
   (( segid B    and resid 89   and name HB2 ))
   (( segid B    and resid 89   and name HB1 ))
 ASSI {  680}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 96   and name HB  ))
      2.200     0.600     0.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.87587E-02 ppm1      1.043 ppm2      1.950 CV     1
 OR {  680}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 96   and name HB  ))
 ASSI {  681}
   (  segid B    and resid 96   and name HD1%)
   (( segid B    and resid 96   and name HB  ))
      2.200     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.70548E-02 ppm1      0.915 ppm2      1.950 CV     1
 OR {  681}
   (  segid A    and resid 96   and name HD1%)
   (( segid A    and resid 96   and name HB  ))
 ASSI {  682}
   (( segid A    and resid 89   and name HG1 ))
   (( segid A    and resid 89   and name HB1 ))
      2.300     0.700     0.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.15294E-01 ppm1      2.049 ppm2      1.954 CV     1
 OR {  682}
   (( segid B    and resid 89   and name HG1 ))
   (( segid B    and resid 89   and name HB1 ))
 ASSI {  683}
   (  segid B    and resid 46   and name HB% )
   (( segid B    and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.80533E-02 ppm1      1.630 ppm2      1.959 CV     1
 OR {  683}
   (  segid A    and resid 46   and name HB% )
   (( segid A    and resid 47   and name HB2 ))
 OR {  683}
   (  segid B    and resid 46   and name HB% )
   (( segid B    and resid 47   and name HB1 ))
 OR {  683}
   (  segid A    and resid 46   and name HB% )
   (( segid A    and resid 47   and name HB1 ))
 ASSI {  684}
   (( segid B    and resid 125  and name HA  ))
   (( segid B    and resid 125  and name HB1 ))
      2.700     0.900     0.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.46510E-02 ppm1      4.218 ppm2      1.964 CV     1
 OR {  684}
   (( segid A    and resid 125  and name HA  ))
   (( segid A    and resid 125  and name HB1 ))
 ASSI {  694}
   (  segid B    and resid 37   and name HG2%)
   (( segid B    and resid 37   and name HG12))
      3.000     1.100     1.100 peak   694 spectrum    1 weight  0.10000E+01 volume  0.20633E-02 ppm1     -0.682 ppm2      1.986 CV     1
 OR {  694}
   (  segid A    and resid 37   and name HG2%)
   (( segid A    and resid 37   and name HG12))
 ASSI {  695}
   (( segid B    and resid 6    and name HA  ))
   (( segid B    and resid 6    and name HB1 ))
      2.200     0.600     0.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.16840E-01 ppm1      4.310 ppm2      1.987 CV     1
 OR {  695}
   (( segid A    and resid 6    and name HA  ))
   (( segid A    and resid 6    and name HB1 ))
 ASSI {  699}
   (( segid B    and resid 72   and name HA  ))
   (( segid B    and resid 75   and name HB  ))
      3.000     1.100     1.100 peak   699 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      3.447 ppm2      1.992 CV     1
 OR {  699}
   (( segid A    and resid 72   and name HA  ))
   (( segid A    and resid 75   and name HB  ))
 ASSI {  700}
   (( segid B    and resid 6    and name HB2 ))
   (( segid B    and resid 6    and name HB1 ))
      1.200     0.200     1.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.12501E+00 ppm1      2.125 ppm2      2.002 CV     1
 OR {  700}
   (( segid A    and resid 6    and name HB2 ))
   (( segid A    and resid 6    and name HB1 ))
 ASSI {  701}
   (  segid A    and resid 17   and name HG1%)
   (( segid A    and resid 69   and name HG1 ))
      3.200     1.300     1.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.72163E-02 ppm1      0.876 ppm2      2.004 CV     1
 OR {  701}
   (  segid B    and resid 17   and name HG1%)
   (( segid B    and resid 69   and name HG1 ))
 OR {  701}
   (  segid A    and resid 17   and name HG1%)
   (( segid A    and resid 69   and name HG2 ))
 ASSI {  702}
   (( segid B    and resid 69   and name HA  ))
   (( segid B    and resid 69   and name HB1 ))
      2.100     0.600     0.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.85056E-02 ppm1      4.124 ppm2      2.011 CV     1
 OR {  702}
   (( segid A    and resid 69   and name HA  ))
   (( segid A    and resid 69   and name HB1 ))
 ASSI {  704}
   (( segid A    and resid 66   and name HB2 ))
   (( segid A    and resid 66   and name HB1 ))
      2.100     0.500     0.500 peak   704 spectrum    1 weight  0.10000E+01 volume  0.31305E-02 ppm1      2.497 ppm2      2.014 CV     1
 OR {  704}
   (( segid B    and resid 66   and name HB2 ))
   (( segid B    and resid 66   and name HB1 ))
 ASSI {  705}
   (( segid A    and resid 69   and name HB2 ))
   (( segid A    and resid 69   and name HB1 ))
      1.600     0.300     0.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.21313E-01 ppm1      2.313 ppm2      2.014 CV     1
 OR {  705}
   (( segid B    and resid 69   and name HB2 ))
   (( segid B    and resid 69   and name HB1 ))
 ASSI {  708}
   (( segid A    and resid 66   and name HG2 ))
   (( segid A    and resid 66   and name HB1 ))
      2.700     0.900     0.900 peak   708 spectrum    1 weight  0.10000E+01 volume  0.35340E-02 ppm1      2.434 ppm2      2.021 CV     1
 OR {  708}
   (( segid B    and resid 66   and name HG1 ))
   (( segid B    and resid 66   and name HB1 ))
 OR {  708}
   (( segid B    and resid 66   and name HG2 ))
   (( segid B    and resid 66   and name HB1 ))
 OR {  708}
   (( segid A    and resid 66   and name HG1 ))
   (( segid A    and resid 66   and name HB1 ))
 ASSI {  712}
   (  segid B    and resid 75   and name HG1%)
   (( segid B    and resid 75   and name HB  ))
      1.800     0.400     0.400 peak   712 spectrum    1 weight  0.10000E+01 volume  0.23967E-01 ppm1      0.962 ppm2      2.029 CV     1
 OR {  712}
   (  segid A    and resid 75   and name HG1%)
   (( segid A    and resid 75   and name HB  ))
 ASSI {  714}
   (  segid B    and resid 75   and name HG2%)
   (( segid B    and resid 75   and name HB  ))
      2.000     0.500     0.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.14632E-01 ppm1      0.891 ppm2      2.038 CV     1
 OR {  714}
   (  segid A    and resid 75   and name HG2%)
   (( segid A    and resid 75   and name HB  ))
 ASSI {  716}
   (  segid B    and resid 79   and name HG2%)
   (( segid B    and resid 80   and name HG1 ))
      3.800     1.800     1.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.22291E-02 ppm1      0.096 ppm2      2.042 CV     1
 OR {  716}
   (  segid A    and resid 79   and name HG2%)
   (( segid A    and resid 80   and name HG1 ))
 OR {  716}
   (  segid B    and resid 79   and name HG2%)
   (( segid B    and resid 80   and name HB2 ))
 OR {  716}
   (  segid A    and resid 79   and name HG2%)
   (( segid A    and resid 80   and name HB2 ))
 OR {  716}
   (  segid B    and resid 79   and name HG2%)
   (( segid B    and resid 80   and name HB1 ))
 ASSI {  717}
   (( segid A    and resid 77   and name HA  ))
   (( segid A    and resid 80   and name HB2 ))
      2.800     1.000     1.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.32553E-02 ppm1      4.110 ppm2      2.045 CV     1
 OR {  717}
   (( segid B    and resid 77   and name HA  ))
   (( segid B    and resid 80   and name HB2 ))
 OR {  717}
   (( segid B    and resid 77   and name HA  ))
   (( segid B    and resid 80   and name HG1 ))
 OR {  717}
   (( segid A    and resid 77   and name HA  ))
   (( segid A    and resid 80   and name HB1 ))
 OR {  717}
   (( segid B    and resid 77   and name HA  ))
   (( segid B    and resid 80   and name HB1 ))
 ASSI {  724}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 93   and name HB1 ))
      3.000     1.100     1.100 peak   724 spectrum    1 weight  0.10000E+01 volume  0.73372E-02 ppm1      0.932 ppm2      2.051 CV     1
 OR {  724}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 93   and name HB1 ))
 ASSI {  727}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 80   and name HG1 ))
      3.100     1.200     1.200 peak   727 spectrum    1 weight  0.10000E+01 volume  0.36694E-02 ppm1      0.652 ppm2      2.054 CV     1
 OR {  727}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 80   and name HG1 ))
 ASSI {  730}
   (( segid B    and resid 22   and name HB1 ))
   (( segid B    and resid 89   and name HB2 ))
      3.500     1.500     1.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.16722E-02 ppm1      1.625 ppm2      2.056 CV     1
 OR {  730}
   (( segid A    and resid 22   and name HB1 ))
   (( segid A    and resid 89   and name HB2 ))
 OR {  730}
   (( segid A    and resid 22   and name HB1 ))
   (( segid A    and resid 89   and name HG1 ))
 ASSI {  733}
   (( segid A    and resid 27   and name HA  ))
   (( segid A    and resid 27   and name HB1 ))
      2.100     0.500     0.500 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13030E-01 ppm1      4.474 ppm2      2.058 CV     1
 OR {  733}
   (( segid B    and resid 27   and name HA  ))
   (( segid B    and resid 27   and name HB1 ))
 ASSI {  734}
   (( segid A    and resid 27   and name HB2 ))
   (( segid A    and resid 27   and name HB1 ))
      1.500     0.300     0.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.33328E-01 ppm1      2.437 ppm2      2.060 CV     1
 OR {  734}
   (( segid B    and resid 27   and name HB2 ))
   (( segid B    and resid 27   and name HB1 ))
 ASSI {  735}
   (( segid A    and resid 93   and name HG1 ))
   (( segid A    and resid 93   and name HB1 ))
      2.300     0.600     0.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.25185E-01 ppm1      2.170 ppm2      2.061 CV     1
 OR {  735}
   (( segid B    and resid 93   and name HG1 ))
   (( segid B    and resid 93   and name HB1 ))
 ASSI {  739}
   (( segid B    and resid 58   and name HA  ))
   (( segid B    and resid 58   and name HB1 ))
      3.100     1.200     1.200 peak   739 spectrum    1 weight  0.10000E+01 volume  0.16897E-02 ppm1      3.843 ppm2      2.063 CV     1
 OR {  739}
   (( segid A    and resid 58   and name HA  ))
   (( segid A    and resid 58   and name HB1 ))
 ASSI {  742}
   (  segid A    and resid 92   and name HB% )
   (( segid A    and resid 93   and name HB1 ))
      3.900     1.900     1.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.23973E-02 ppm1      1.421 ppm2      2.069 CV     1
 OR {  742}
   (  segid B    and resid 92   and name HB% )
   (( segid B    and resid 93   and name HB1 ))
 ASSI {  743}
   (( segid B    and resid 93   and name HG2 ))
   (( segid B    and resid 93   and name HB1 ))
      1.800     0.400     0.400 peak   743 spectrum    1 weight  0.10000E+01 volume  0.23694E-01 ppm1      2.240 ppm2      2.069 CV     1
 OR {  743}
   (( segid A    and resid 93   and name HG2 ))
   (( segid A    and resid 93   and name HB1 ))
 ASSI {  744}
   (  segid B    and resid 34   and name HD1%)
   (  segid B    and resid 106  and name HE% )
      2.800     2.800     3.200 peak   744 spectrum    1 weight  0.10000E+01 volume  0.47471E-02 ppm1      0.738 ppm2      2.071 CV     1
 OR {  744}
   (  segid A    and resid 34   and name HD1%)
   (  segid A    and resid 106  and name HE% )
 ASSI {  745}
   (  segid A    and resid 29   and name HD1%)
   (( segid A    and resid 84   and name HB1 ))
      2.500     0.800     0.800 peak   745 spectrum    1 weight  0.10000E+01 volume  0.73276E-02 ppm1      0.913 ppm2      2.073 CV     1
 OR {  745}
   (  segid B    and resid 29   and name HD1%)
   (( segid B    and resid 84   and name HB1 ))
 OR {  745}
   (  segid A    and resid 29   and name HD1%)
   (( segid A    and resid 84   and name HB2 ))
 OR {  745}
   (  segid B    and resid 29   and name HD1%)
   (( segid B    and resid 84   and name HB2 ))
 ASSI {  748}
   (( segid B    and resid 58   and name HB2 ))
   (( segid B    and resid 58   and name HB1 ))
      1.900     0.500     0.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.81753E-02 ppm1      2.250 ppm2      2.076 CV     1
 OR {  748}
   (( segid A    and resid 58   and name HB2 ))
   (( segid A    and resid 58   and name HB1 ))
 ASSI {  749}
   (( segid A    and resid 58   and name HG1 ))
   (( segid A    and resid 58   and name HB1 ))
      2.500     0.800     0.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.78619E-02 ppm1      2.390 ppm2      2.080 CV     1
 OR {  749}
   (( segid B    and resid 58   and name HG2 ))
   (( segid B    and resid 58   and name HB1 ))
 OR {  749}
   (( segid B    and resid 58   and name HG1 ))
   (( segid B    and resid 58   and name HB1 ))
 OR {  749}
   (( segid A    and resid 58   and name HG2 ))
   (( segid A    and resid 58   and name HB1 ))
 ASSI {  750}
   (( segid A    and resid 79   and name HB  ))
   (( segid A    and resid 76   and name HB2 ))
      4.200     2.200     1.800 peak   750 spectrum    1 weight  0.10000E+01 volume  0.15951E-02 ppm1      1.491 ppm2      2.080 CV     1
 OR {  750}
   (( segid B    and resid 79   and name HB  ))
   (( segid B    and resid 76   and name HB2 ))
 ASSI {  751}
   (( segid B    and resid 84   and name HD2 ))
   (( segid B    and resid 84   and name HB1 ))
      2.100     0.600     0.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.19110E-01 ppm1      3.233 ppm2      2.084 CV     1
 OR {  751}
   (( segid A    and resid 84   and name HD2 ))
   (( segid A    and resid 84   and name HB1 ))
 OR {  751}
   (( segid B    and resid 84   and name HD1 ))
   (( segid B    and resid 84   and name HB1 ))
 OR {  751}
   (( segid A    and resid 84   and name HD1 ))
   (( segid A    and resid 84   and name HB1 ))
 OR {  751}
   (( segid A    and resid 84   and name HD2 ))
   (( segid A    and resid 84   and name HB2 ))
 OR {  751}
   (( segid B    and resid 84   and name HD2 ))
   (( segid B    and resid 84   and name HB2 ))
 OR {  751}
   (( segid A    and resid 84   and name HD1 ))
   (( segid A    and resid 84   and name HB2 ))
 ASSI {  754}
   (  segid A    and resid 76   and name HE% )
   (( segid A    and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.75795E-02 ppm1      1.358 ppm2      2.098 CV     1
 OR {  754}
   (  segid B    and resid 76   and name HE% )
   (( segid B    and resid 76   and name HB2 ))
 ASSI {  755}
   (  segid A    and resid 26   and name HB% )
   (( segid A    and resid 27   and name HG1 ))
      3.800     1.800     1.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.50799E-02 ppm1      1.538 ppm2      2.103 CV     1
 OR {  755}
   (  segid B    and resid 26   and name HB% )
   (( segid B    and resid 27   and name HG1 ))
 ASSI {  757}
   (( segid A    and resid 26   and name HA  ))
   (( segid A    and resid 27   and name HG1 ))
      4.300     2.300     1.700 peak   757 spectrum    1 weight  0.10000E+01 volume  0.19752E-02 ppm1      4.605 ppm2      2.105 CV     1
 OR {  757}
   (( segid B    and resid 26   and name HA  ))
   (( segid B    and resid 27   and name HG1 ))
 ASSI {  758}
   (( segid A    and resid 60   and name HA  ))
   (( segid A    and resid 60   and name HB  ))
      3.100     1.200     1.200 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12413E-02 ppm1      4.842 ppm2      2.106 CV     1
 OR {  758}
   (( segid B    and resid 60   and name HA  ))
   (( segid B    and resid 60   and name HB  ))
 ASSI {  759}
   (( segid B    and resid 73   and name HA  ))
   (( segid B    and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.38565E-02 ppm1      4.010 ppm2      2.106 CV     1
 OR {  759}
   (( segid A    and resid 73   and name HA  ))
   (( segid A    and resid 76   and name HB2 ))
 ASSI {  760}
   (( segid A    and resid 27   and name HD2 ))
   (( segid A    and resid 27   and name HG1 ))
      2.800     1.000     1.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.46348E-02 ppm1      3.966 ppm2      2.107 CV     1
 OR {  760}
   (( segid B    and resid 27   and name HD2 ))
   (( segid B    and resid 27   and name HG1 ))
 ASSI {  763}
   (( segid B    and resid 11   and name HB2 ))
   (( segid B    and resid 11   and name HB1 ))
      1.200     0.200     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.11910E+00 ppm1      2.193 ppm2      2.117 CV     1
 OR {  763}
   (( segid A    and resid 11   and name HB2 ))
   (( segid A    and resid 11   and name HB1 ))
 ASSI {  765}
   (( segid A    and resid 11   and name HG1 ))
   (( segid A    and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.10941E-01 ppm1      2.586 ppm2      2.119 CV     1
 OR {  765}
   (( segid B    and resid 11   and name HG1 ))
   (( segid B    and resid 11   and name HB1 ))
 ASSI {  767}
   (( segid B    and resid 11   and name HG2 ))
   (( segid B    and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   767 spectrum    1 weight  0.10000E+01 volume  0.11282E-01 ppm1      2.675 ppm2      2.123 CV     1
 OR {  767}
   (( segid A    and resid 11   and name HG2 ))
   (( segid A    and resid 11   and name HB1 ))
 ASSI {  768}
   (( segid B    and resid 11   and name HA  ))
   (( segid B    and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.10172E-01 ppm1      4.613 ppm2      2.124 CV     1
 OR {  768}
   (( segid A    and resid 11   and name HA  ))
   (( segid A    and resid 11   and name HB1 ))
 ASSI {  769}
   (( segid A    and resid 11   and name HG1 ))
   (( segid A    and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.41154E-02 ppm1      2.579 ppm2      2.124 CV     1
 OR {  769}
   (( segid B    and resid 11   and name HG1 ))
   (( segid B    and resid 11   and name HB1 ))
 OR {  769}
   (( segid A    and resid 11   and name HG1 ))
   (  segid A    and resid 11   and name HE% )
 ASSI {  770}
   (( segid A    and resid 6    and name HA  ))
   (( segid A    and resid 6    and name HB2 ))
      2.000     0.500     0.500 peak   770 spectrum    1 weight  0.10000E+01 volume  0.24664E-01 ppm1      4.314 ppm2      2.125 CV     1
 OR {  770}
   (( segid B    and resid 6    and name HA  ))
   (( segid B    and resid 6    and name HB2 ))
 ASSI {  771}
   (( segid A    and resid 83   and name HA  ))
   (( segid A    and resid 83   and name HB2 ))
      2.700     0.900     0.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.52423E-02 ppm1      4.623 ppm2      2.129 CV     1
 OR {  771}
   (( segid B    and resid 83   and name HA  ))
   (( segid B    and resid 83   and name HB2 ))
 ASSI {  774}
   (( segid B    and resid 29   and name HG  ))
   (( segid B    and resid 27   and name HG2 ))
      2.100     2.100     3.900 peak   774 spectrum    1 weight  0.10000E+01 volume  0.58749E-02 ppm1      1.256 ppm2      2.137 CV     1
 OR {  774}
   (( segid A    and resid 29   and name HG  ))
   (( segid A    and resid 27   and name HG2 ))
 OR {  774}
   (( segid B    and resid 29   and name HG  ))
   (( segid B    and resid 27   and name HG1 ))
 OR {  774}
   (( segid A    and resid 29   and name HG  ))
   (( segid A    and resid 27   and name HG1 ))
 ASSI {  778}
   (( segid A    and resid 39   and name HB2 ))
   (( segid A    and resid 39   and name HB1 ))
      1.700     0.300     0.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.16821E-01 ppm1      2.251 ppm2      2.147 CV     1
 OR {  778}
   (( segid B    and resid 39   and name HB2 ))
   (( segid B    and resid 39   and name HB1 ))
 ASSI {  779}
   (( segid A    and resid 71   and name HA  ))
   (( segid A    and resid 74   and name HB1 ))
      2.400     2.400     3.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.66605E-02 ppm1      4.428 ppm2      2.148 CV     1
 OR {  779}
   (( segid B    and resid 71   and name HA  ))
   (( segid B    and resid 74   and name HB1 ))
 ASSI {  784}
   (( segid B    and resid 27   and name HB1 ))
   (( segid B    and resid 27   and name HG2 ))
      2.500     0.800     0.800 peak   784 spectrum    1 weight  0.10000E+01 volume  0.15234E-01 ppm1      2.057 ppm2      2.164 CV     1
 OR {  784}
   (( segid A    and resid 27   and name HB1 ))
   (( segid A    and resid 27   and name HG2 ))
 ASSI {  785}
   (  segid B    and resid 26   and name HB% )
   (( segid B    and resid 27   and name HG2 ))
      3.300     1.400     1.400 peak   785 spectrum    1 weight  0.10000E+01 volume  0.68621E-02 ppm1      1.544 ppm2      2.166 CV     1
 OR {  785}
   (  segid A    and resid 26   and name HB% )
   (( segid A    and resid 27   and name HG2 ))
 ASSI {  786}
   (( segid A    and resid 27   and name HG1 ))
   (( segid A    and resid 27   and name HG2 ))
      1.400     0.200     0.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.42334E-01 ppm1      2.109 ppm2      2.166 CV     1
 OR {  786}
   (( segid B    and resid 27   and name HG1 ))
   (( segid B    and resid 27   and name HG2 ))
 ASSI {  787}
   (( segid B    and resid 27   and name HA  ))
   (( segid B    and resid 27   and name HG2 ))
      3.200     1.300     1.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.48685E-02 ppm1      4.474 ppm2      2.167 CV     1
 OR {  787}
   (( segid A    and resid 27   and name HA  ))
   (( segid A    and resid 27   and name HG2 ))
 ASSI {  788}
   (( segid B    and resid 27   and name HB2 ))
   (( segid B    and resid 27   and name HG2 ))
      2.100     0.500     0.500 peak   788 spectrum    1 weight  0.10000E+01 volume  0.11137E-01 ppm1      2.438 ppm2      2.169 CV     1
 OR {  788}
   (( segid A    and resid 27   and name HB2 ))
   (( segid A    and resid 27   and name HG2 ))
 ASSI {  793}
   (( segid B    and resid 93   and name HG2 ))
   (( segid B    and resid 93   and name HG1 ))
      1.400     0.200     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.59929E-01 ppm1      2.240 ppm2      2.173 CV     1
 OR {  793}
   (( segid A    and resid 93   and name HG2 ))
   (( segid A    and resid 93   and name HG1 ))
 ASSI {  794}
   (( segid A    and resid 125  and name HA  ))
   (( segid A    and resid 125  and name HB2 ))
      2.500     0.800     0.800 peak   794 spectrum    1 weight  0.10000E+01 volume  0.61550E-02 ppm1      4.219 ppm2      2.174 CV     1
 OR {  794}
   (( segid B    and resid 125  and name HA  ))
   (( segid B    and resid 125  and name HB2 ))
 ASSI {  795}
   (( segid B    and resid 49   and name HG1 ))
   (( segid B    and resid 49   and name HB1 ))
      1.600     0.300     0.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.97069E-01 ppm1      2.354 ppm2      2.178 CV     1
 OR {  795}
   (( segid A    and resid 49   and name HG1 ))
   (( segid A    and resid 49   and name HB1 ))
 OR {  795}
   (( segid B    and resid 49   and name HG2 ))
   (( segid B    and resid 49   and name HB1 ))
 OR {  795}
   (( segid A    and resid 49   and name HG2 ))
   (( segid A    and resid 49   and name HB1 ))
 ASSI {  796}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 17   and name HB  ))
      1.700     0.400     0.500 peak   796 spectrum    1 weight  0.10000E+01 volume  0.31443E-01 ppm1      0.952 ppm2      2.180 CV     1
 OR {  796}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 17   and name HB  ))
 ASSI {  797}
   (( segid A    and resid 69   and name HA  ))
   (( segid A    and resid 17   and name HB  ))
      2.900     1.100     1.100 peak   797 spectrum    1 weight  0.10000E+01 volume  0.15406E-02 ppm1      4.121 ppm2      2.185 CV     1
 OR {  797}
   (( segid B    and resid 69   and name HA  ))
   (( segid B    and resid 17   and name HB  ))
 ASSI {  798}
   (( segid B    and resid 17   and name HA  ))
   (( segid B    and resid 17   and name HB  ))
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.48628E-02 ppm1      5.243 ppm2      2.187 CV     1
 OR {  798}
   (( segid A    and resid 17   and name HA  ))
   (( segid A    and resid 17   and name HB  ))
 ASSI {  799}
   (( segid B    and resid 11   and name HG1 ))
   (( segid B    and resid 11   and name HB2 ))
      2.300     0.600     0.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.95502E-02 ppm1      2.586 ppm2      2.188 CV     1
 OR {  799}
   (( segid A    and resid 11   and name HG1 ))
   (( segid A    and resid 11   and name HB2 ))
 ASSI {  800}
   (( segid B    and resid 42   and name HA  ))
   (( segid B    and resid 42   and name HB1 ))
      3.100     1.200     1.200 peak   800 spectrum    1 weight  0.10000E+01 volume  0.27825E-02 ppm1      3.793 ppm2      2.188 CV     1
 OR {  800}
   (( segid A    and resid 42   and name HA  ))
   (( segid A    and resid 42   and name HB1 ))
 ASSI {  803}
   (( segid A    and resid 11   and name HG2 ))
   (( segid A    and resid 11   and name HB2 ))
      2.400     0.800     0.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.10100E-01 ppm1      2.675 ppm2      2.191 CV     1
 OR {  803}
   (( segid B    and resid 11   and name HG2 ))
   (( segid B    and resid 11   and name HB2 ))
 ASSI {  805}
   (( segid B    and resid 95   and name HA  ))
   (( segid B    and resid 17   and name HB  ))
      3.900     1.900     1.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.18957E-02 ppm1      4.947 ppm2      2.191 CV     1
 OR {  805}
   (( segid A    and resid 95   and name HA  ))
   (( segid A    and resid 17   and name HB  ))
 ASSI {  806}
   (( segid A    and resid 42   and name HB2 ))
   (( segid A    and resid 42   and name HB1 ))
      1.900     0.400     0.400 peak   806 spectrum    1 weight  0.10000E+01 volume  0.72827E-02 ppm1      2.370 ppm2      2.195 CV     1
 OR {  806}
   (( segid B    and resid 42   and name HB2 ))
   (( segid B    and resid 42   and name HB1 ))
 ASSI {  807}
   (  segid B    and resid 72   and name HG2%)
   (( segid B    and resid 17   and name HB  ))
      2.700     0.900     0.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.22445E-02 ppm1      0.736 ppm2      2.197 CV     1
 OR {  807}
   (  segid A    and resid 72   and name HG2%)
   (( segid A    and resid 17   and name HB  ))
 ASSI {  808}
   (( segid B    and resid 49   and name HA  ))
   (( segid B    and resid 49   and name HB1 ))
      2.500     0.800     0.800 peak   808 spectrum    1 weight  0.10000E+01 volume  0.46935E-02 ppm1      3.995 ppm2      2.199 CV     1
 OR {  808}
   (( segid A    and resid 49   and name HA  ))
   (( segid A    and resid 49   and name HB1 ))
 ASSI {  815}
   (( segid B    and resid 94   and name HB1 ))
   (( segid B    and resid 94   and name HB2 ))
      1.600     0.300     0.600 peak   815 spectrum    1 weight  0.10000E+01 volume  0.22943E-01 ppm1      2.024 ppm2      2.218 CV     1
 OR {  815}
   (( segid A    and resid 94   and name HB1 ))
   (( segid A    and resid 94   and name HB2 ))
 ASSI {  817}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.39496E-02 ppm1      1.038 ppm2      2.224 CV     1
 OR {  817}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 94   and name HB2 ))
 ASSI {  818}
   (( segid A    and resid 58   and name HA  ))
   (( segid A    and resid 58   and name HB2 ))
      2.900     1.000     1.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.29056E-02 ppm1      3.846 ppm2      2.236 CV     1
 OR {  818}
   (( segid B    and resid 58   and name HA  ))
   (( segid B    and resid 58   and name HB2 ))
 ASSI {  819}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 93   and name HG2 ))
      2.500     0.800     0.800 peak   819 spectrum    1 weight  0.10000E+01 volume  0.87299E-02 ppm1      0.930 ppm2      2.239 CV     1
 OR {  819}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 93   and name HG2 ))
 OR {  819}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 93   and name HB2 ))
 ASSI {  822}
   (  segid A    and resid 9    and name HG2%)
   (( segid A    and resid 9    and name HB  ))
      1.900     0.400     0.400 peak   822 spectrum    1 weight  0.10000E+01 volume  0.32768E-01 ppm1      1.010 ppm2      2.243 CV     1
 OR {  822}
   (( segid B    and resid 9    and name HG21))
   (( segid B    and resid 9    and name HB  ))
 OR {  822}
   (( segid B    and resid 9    and name HG22))
   (( segid B    and resid 9    and name HB  ))
 ASSI {  823}
   (( segid B    and resid 58   and name HG1 ))
   (( segid B    and resid 58   and name HB2 ))
      2.500     0.800     0.800 peak   823 spectrum    1 weight  0.10000E+01 volume  0.73306E-02 ppm1      2.390 ppm2      2.243 CV     1
 OR {  823}
   (( segid A    and resid 58   and name HG2 ))
   (( segid A    and resid 58   and name HB2 ))
 OR {  823}
   (( segid B    and resid 58   and name HG2 ))
   (( segid B    and resid 58   and name HB2 ))
 OR {  823}
   (( segid A    and resid 58   and name HG1 ))
   (( segid A    and resid 58   and name HB2 ))
 ASSI {  824}
   (( segid B    and resid 9    and name HA  ))
   (( segid B    and resid 9    and name HB  ))
      2.000     0.500     0.500 peak   824 spectrum    1 weight  0.10000E+01 volume  0.21825E-01 ppm1      4.253 ppm2      2.245 CV     1
 OR {  824}
   (( segid A    and resid 9    and name HA  ))
   (( segid A    and resid 9    and name HB  ))
 ASSI {  825}
   (( segid B    and resid 74   and name HA  ))
   (( segid B    and resid 74   and name HB2 ))
      2.100     0.500     0.500 peak   825 spectrum    1 weight  0.10000E+01 volume  0.13794E-01 ppm1      4.007 ppm2      2.245 CV     1
 OR {  825}
   (( segid A    and resid 74   and name HA  ))
   (( segid A    and resid 74   and name HB2 ))
 ASSI {  827}
   (( segid A    and resid 71   and name HA  ))
   (( segid A    and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak   827 spectrum    1 weight  0.10000E+01 volume  0.49076E-02 ppm1      4.426 ppm2      2.246 CV     1
 OR {  827}
   (( segid B    and resid 71   and name HA  ))
   (( segid B    and resid 74   and name HB2 ))
 ASSI {  830}
   (( segid A    and resid 94   and name HB2 ))
   (( segid A    and resid 94   and name HG1 ))
      2.100     0.600     0.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.18601E-01 ppm1      2.213 ppm2      2.279 CV     1
 OR {  830}
   (( segid B    and resid 94   and name HB2 ))
   (( segid B    and resid 94   and name HG1 ))
 OR {  830}
   (( segid B    and resid 94   and name HB2 ))
   (( segid B    and resid 94   and name HG2 ))
 OR {  830}
   (( segid A    and resid 94   and name HB2 ))
   (( segid A    and resid 94   and name HG2 ))
 ASSI {  831}
   (( segid A    and resid 94   and name HB1 ))
   (( segid A    and resid 94   and name HG2 ))
      2.400     0.700     0.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.94353E-02 ppm1      2.026 ppm2      2.282 CV     1
 OR {  831}
   (( segid B    and resid 94   and name HB1 ))
   (( segid B    and resid 94   and name HG2 ))
 OR {  831}
   (( segid A    and resid 94   and name HB1 ))
   (( segid A    and resid 94   and name HG1 ))
 OR {  831}
   (( segid B    and resid 94   and name HB1 ))
   (( segid B    and resid 94   and name HG1 ))
 ASSI {  832}
   (( segid B    and resid 6    and name HB1 ))
   (( segid B    and resid 6    and name HG2 ))
      1.800     0.900     0.900 peak   832 spectrum    1 weight  0.10000E+01 volume  0.36053E-01 ppm1      1.982 ppm2      2.288 CV     1
 OR {  832}
   (( segid A    and resid 6    and name HB1 ))
   (( segid A    and resid 6    and name HG2 ))
 ASSI {  833}
   (  segid A    and resid 92   and name HB% )
   (( segid A    and resid 94   and name HG2 ))
      2.800     1.000     1.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.46755E-02 ppm1      1.427 ppm2      2.289 CV     1
 OR {  833}
   (  segid B    and resid 92   and name HB% )
   (( segid B    and resid 94   and name HG2 ))
 OR {  833}
   (  segid A    and resid 92   and name HB% )
   (( segid A    and resid 94   and name HG1 ))
 OR {  833}
   (  segid B    and resid 92   and name HB% )
   (( segid B    and resid 94   and name HG1 ))
 ASSI {  835}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 94   and name HG1 ))
      2.600     0.800     0.800 peak   835 spectrum    1 weight  0.10000E+01 volume  0.58675E-02 ppm1      1.033 ppm2      2.290 CV     1
 OR {  835}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 94   and name HG1 ))
 OR {  835}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 94   and name HG2 ))
 OR {  835}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 94   and name HG2 ))
 ASSI {  836}
   (( segid A    and resid 6    and name HA  ))
   (( segid A    and resid 6    and name HG2 ))
      3.200     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.21503E-01 ppm1      4.310 ppm2      2.293 CV     1
 OR {  836}
   (( segid B    and resid 6    and name HA  ))
   (( segid B    and resid 6    and name HG2 ))
 ASSI {  837}
   (( segid B    and resid 6    and name HB2 ))
   (( segid B    and resid 6    and name HG2 ))
      1.600     0.300     0.600 peak   837 spectrum    1 weight  0.10000E+01 volume  0.10357E+00 ppm1      2.123 ppm2      2.293 CV     1
 OR {  837}
   (( segid A    and resid 6    and name HB2 ))
   (( segid A    and resid 6    and name HG2 ))
 ASSI {  840}
   (( segid B    and resid 87   and name HB2 ))
   (( segid B    and resid 89   and name HG2 ))
      3.800     1.800     1.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.13866E-02 ppm1      3.062 ppm2      2.299 CV     1
 OR {  840}
   (( segid A    and resid 87   and name HB2 ))
   (( segid A    and resid 89   and name HG2 ))
 ASSI {  844}
   (( segid A    and resid 89   and name HB1 ))
   (( segid A    and resid 89   and name HG2 ))
      2.400     0.700     0.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.55169E-02 ppm1      1.942 ppm2      2.306 CV     1
 OR {  844}
   (( segid B    and resid 89   and name HB1 ))
   (( segid B    and resid 89   and name HG2 ))
 ASSI {  846}
   (( segid B    and resid 89   and name HG1 ))
   (( segid B    and resid 89   and name HG2 ))
      1.500     0.300     0.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.36982E-01 ppm1      2.049 ppm2      2.310 CV     1
 OR {  846}
   (( segid A    and resid 89   and name HG1 ))
   (( segid A    and resid 89   and name HG2 ))
 ASSI {  847}
   (( segid A    and resid 111  and name HB2 ))
   (( segid A    and resid 112  and name HG1 ))
      3.600     1.600     1.600 peak   847 spectrum    1 weight  0.10000E+01 volume  0.17517E-02 ppm1      4.020 ppm2      2.310 CV     1
 OR {  847}
   (( segid B    and resid 111  and name HB2 ))
   (( segid B    and resid 112  and name HG1 ))
 ASSI {  848}
   (  segid A    and resid 17   and name HG1%)
   (( segid A    and resid 69   and name HB2 ))
      3.400     1.400     1.400 peak   848 spectrum    1 weight  0.10000E+01 volume  0.81383E-02 ppm1      0.874 ppm2      2.311 CV     1
 OR {  848}
   (  segid B    and resid 17   and name HG1%)
   (( segid B    and resid 69   and name HB2 ))
 ASSI {  850}
   (( segid A    and resid 76   and name HG2 ))
   (( segid A    and resid 80   and name HG2 ))
      3.400     1.500     1.500 peak   850 spectrum    1 weight  0.10000E+01 volume  0.14192E-02 ppm1      2.576 ppm2      2.311 CV     1
 OR {  850}
   (( segid B    and resid 76   and name HG2 ))
   (( segid B    and resid 80   and name HG2 ))
 ASSI {  851}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 69   and name HB2 ))
      2.100     0.600     0.600 peak   851 spectrum    1 weight  0.10000E+01 volume  0.11403E-01 ppm1      1.979 ppm2      2.313 CV     1
 OR {  851}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 69   and name HB2 ))
 OR {  851}
   (( segid B    and resid 69   and name HG1 ))
   (( segid B    and resid 69   and name HB2 ))
 OR {  851}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 69   and name HB2 ))
 ASSI {  852}
   (( segid B    and resid 69   and name HA  ))
   (( segid B    and resid 69   and name HB2 ))
      2.500     0.800     0.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10350E-01 ppm1      4.121 ppm2      2.314 CV     1
 OR {  852}
   (( segid A    and resid 69   and name HA  ))
   (( segid A    and resid 69   and name HB2 ))
 ASSI {  854}
   (( segid A    and resid 69   and name HD2 ))
   (( segid A    and resid 69   and name HB2 ))
      3.500     1.500     1.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.16154E-02 ppm1      3.397 ppm2      2.315 CV     1
 OR {  854}
   (( segid B    and resid 69   and name HD2 ))
   (( segid B    and resid 69   and name HB2 ))
 ASSI {  856}
   (( segid A    and resid 87   and name HB1 ))
   (( segid A    and resid 89   and name HG2 ))
      3.400     1.500     1.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.15500E-02 ppm1      2.761 ppm2      2.318 CV     1
 OR {  856}
   (( segid B    and resid 87   and name HB1 ))
   (( segid B    and resid 89   and name HG2 ))
 ASSI {  859}
   (( segid A    and resid 74   and name HA  ))
   (( segid A    and resid 74   and name HG2 ))
      2.400     0.700     0.700 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10474E-01 ppm1      4.005 ppm2      2.325 CV     1
 OR {  859}
   (( segid B    and resid 74   and name HA  ))
   (( segid B    and resid 74   and name HG2 ))
 ASSI {  860}
   (( segid B    and resid 80   and name HG1 ))
   (( segid B    and resid 80   and name HG2 ))
      1.500     0.300     0.700 peak   860 spectrum    1 weight  0.10000E+01 volume  0.27471E-01 ppm1      2.045 ppm2      2.326 CV     1
 OR {  860}
   (( segid A    and resid 80   and name HG1 ))
   (( segid A    and resid 80   and name HG2 ))
 ASSI {  862}
   (( segid B    and resid 80   and name HA  ))
   (( segid B    and resid 80   and name HG2 ))
      2.600     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.43200E-02 ppm1      3.716 ppm2      2.327 CV     1
 OR {  862}
   (( segid A    and resid 80   and name HA  ))
   (( segid A    and resid 80   and name HG2 ))
 ASSI {  863}
   (( segid B    and resid 80   and name HB1 ))
   (( segid B    and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.61598E-02 ppm1      2.008 ppm2      2.328 CV     1
 OR {  863}
   (( segid A    and resid 80   and name HB1 ))
   (( segid A    and resid 80   and name HG2 ))
 ASSI {  865}
   (( segid B    and resid 77   and name HA  ))
   (( segid B    and resid 80   and name HG2 ))
      3.500     1.500     1.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.18267E-02 ppm1      4.110 ppm2      2.331 CV     1
 OR {  865}
   (( segid A    and resid 77   and name HA  ))
   (( segid A    and resid 80   and name HG2 ))
 ASSI {  866}
   (( segid B    and resid 80   and name HB2 ))
   (( segid B    and resid 80   and name HG2 ))
      2.300     0.700     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.81257E-02 ppm1      2.074 ppm2      2.333 CV     1
 OR {  866}
   (( segid A    and resid 80   and name HB2 ))
   (( segid A    and resid 80   and name HG2 ))
 ASSI {  868}
   (  segid A    and resid 76   and name HE% )
   (( segid A    and resid 76   and name HG1 ))
      2.500     0.800     0.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.90016E-02 ppm1      1.359 ppm2      2.337 CV     1
 OR {  868}
   (  segid B    and resid 76   and name HE% )
   (( segid B    and resid 76   and name HG1 ))
 ASSI {  869}
   (( segid B    and resid 20   and name HA  ))
   (( segid B    and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.22622E-02 ppm1      5.882 ppm2      2.338 CV     1
 OR {  869}
   (( segid A    and resid 20   and name HA  ))
   (( segid A    and resid 20   and name HB2 ))
 OR {  869}
   (( segid A    and resid 20   and name HA  ))
   (( segid A    and resid 20   and name HB1 ))
 OR {  869}
   (( segid B    and resid 20   and name HA  ))
   (( segid B    and resid 20   and name HB1 ))
 ASSI {  874}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 80   and name HG2 ))
      3.200     1.200     1.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.23806E-02 ppm1      0.652 ppm2      2.357 CV     1
 OR {  874}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 80   and name HG2 ))
 ASSI {  876}
   (( segid B    and resid 38   and name HA  ))
   (( segid B    and resid 38   and name HB  ))
      3.500     1.500     1.500 peak   876 spectrum    1 weight  0.10000E+01 volume  0.93707E-03 ppm1      3.547 ppm2      2.360 CV     1
 OR {  876}
   (( segid A    and resid 38   and name HA  ))
   (( segid A    and resid 38   and name HB  ))
 ASSI {  878}
   (( segid A    and resid 76   and name HA  ))
   (( segid A    and resid 76   and name HG1 ))
      3.200     1.300     1.300 peak   878 spectrum    1 weight  0.10000E+01 volume  0.29800E-02 ppm1      4.354 ppm2      2.361 CV     1
 OR {  878}
   (( segid B    and resid 76   and name HA  ))
   (( segid B    and resid 76   and name HG1 ))
 ASSI {  880}
   (( segid B    and resid 73   and name HA  ))
   (( segid B    and resid 76   and name HG1 ))
      3.100     1.200     1.200 peak   880 spectrum    1 weight  0.10000E+01 volume  0.20528E-02 ppm1      4.012 ppm2      2.363 CV     1
 OR {  880}
   (( segid A    and resid 73   and name HA  ))
   (( segid A    and resid 76   and name HG1 ))
 ASSI {  881}
   (( segid B    and resid 76   and name HG2 ))
   (( segid B    and resid 76   and name HG1 ))
      2.100     0.600     0.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.36528E-02 ppm1      2.595 ppm2      2.364 CV     1
 OR {  881}
   (( segid A    and resid 76   and name HG2 ))
   (( segid A    and resid 76   and name HG1 ))
 ASSI {  882}
   (( segid B    and resid 76   and name HB1 ))
   (( segid B    and resid 76   and name HG1 ))
      2.800     1.000     1.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.26947E-02 ppm1      1.781 ppm2      2.365 CV     1
 OR {  882}
   (( segid A    and resid 76   and name HB1 ))
   (( segid A    and resid 76   and name HG1 ))
 ASSI {  883}
   (  segid A    and resid 72   and name HG1%)
   (( segid A    and resid 76   and name HG1 ))
      2.800     1.000     1.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.47741E-02 ppm1      0.801 ppm2      2.369 CV     1
 OR {  883}
   (  segid B    and resid 72   and name HG1%)
   (( segid B    and resid 76   and name HG1 ))
 ASSI {  884}
   (( segid A    and resid 42   and name HA  ))
   (( segid A    and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak   884 spectrum    1 weight  0.10000E+01 volume  0.28786E-02 ppm1      3.788 ppm2      2.370 CV     1
 OR {  884}
   (( segid B    and resid 42   and name HA  ))
   (( segid B    and resid 42   and name HB2 ))
 ASSI {  890}
   (( segid B    and resid 58   and name HA  ))
   (( segid B    and resid 58   and name HG2 ))
      3.100     1.200     1.200 peak   890 spectrum    1 weight  0.10000E+01 volume  0.19250E-02 ppm1      3.841 ppm2      2.395 CV     1
 OR {  890}
   (( segid A    and resid 58   and name HA  ))
   (( segid A    and resid 58   and name HG2 ))
 OR {  890}
   (( segid B    and resid 58   and name HA  ))
   (( segid B    and resid 58   and name HG1 ))
 OR {  890}
   (( segid A    and resid 58   and name HA  ))
   (( segid A    and resid 58   and name HG1 ))
 ASSI {  894}
   (( segid A    and resid 49   and name HG2 ))
   (( segid A    and resid 49   and name HB2 ))
      1.800     0.400     0.400 peak   894 spectrum    1 weight  0.10000E+01 volume  0.46663E-01 ppm1      2.356 ppm2      2.434 CV     1
 OR {  894}
   (( segid B    and resid 49   and name HG2 ))
   (( segid B    and resid 49   and name HB2 ))
 OR {  894}
   (( segid A    and resid 49   and name HG1 ))
   (( segid A    and resid 49   and name HB2 ))
 OR {  894}
   (( segid B    and resid 49   and name HG1 ))
   (( segid B    and resid 49   and name HB2 ))
 ASSI {  895}
   (( segid A    and resid 27   and name HA  ))
   (( segid A    and resid 27   and name HB2 ))
      2.200     0.600     0.600 peak   895 spectrum    1 weight  0.10000E+01 volume  0.19647E-01 ppm1      4.474 ppm2      2.434 CV     1
 OR {  895}
   (( segid B    and resid 27   and name HA  ))
   (( segid B    and resid 27   and name HB2 ))
 ASSI {  896}
   (( segid B    and resid 27   and name HG1 ))
   (( segid B    and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   896 spectrum    1 weight  0.10000E+01 volume  0.90135E-02 ppm1      2.108 ppm2      2.434 CV     1
 OR {  896}
   (( segid A    and resid 27   and name HG1 ))
   (( segid A    and resid 27   and name HB2 ))
 ASSI {  902}
   (( segid B    and resid 112  and name HG1 ))
   (( segid B    and resid 112  and name HG2 ))
      1.600     0.300     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.26177E-01 ppm1      2.308 ppm2      2.445 CV     1
 OR {  902}
   (( segid A    and resid 112  and name HG1 ))
   (( segid A    and resid 112  and name HG2 ))
 ASSI {  903}
   (( segid A    and resid 49   and name HA  ))
   (( segid A    and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak   903 spectrum    1 weight  0.10000E+01 volume  0.41440E-02 ppm1      3.999 ppm2      2.447 CV     1
 OR {  903}
   (( segid B    and resid 49   and name HA  ))
   (( segid B    and resid 49   and name HB2 ))
 ASSI {  904}
   (( segid A    and resid 30   and name HB  ))
   (( segid A    and resid 33   and name HB1 ))
      3.500     1.500     1.500 peak   904 spectrum    1 weight  0.10000E+01 volume  0.14307E-02 ppm1      4.778 ppm2      2.450 CV     1
 OR {  904}
   (( segid B    and resid 30   and name HB  ))
   (( segid B    and resid 33   and name HB1 ))
 ASSI {  905}
   (( segid B    and resid 49   and name HB1 ))
   (( segid B    and resid 49   and name HB2 ))
      1.900     0.400     0.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.87694E-02 ppm1      2.201 ppm2      2.450 CV     1
 OR {  905}
   (( segid A    and resid 49   and name HB1 ))
   (( segid A    and resid 49   and name HB2 ))
 ASSI {  908}
   (( segid B    and resid 20   and name HA  ))
   (( segid B    and resid 21   and name HB1 ))
      3.600     1.700     1.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.13484E-02 ppm1      5.888 ppm2      2.457 CV     1
 OR {  908}
   (( segid A    and resid 20   and name HA  ))
   (( segid A    and resid 21   and name HB1 ))
 ASSI {  909}
   (( segid B    and resid 21   and name HB2 ))
   (( segid B    and resid 21   and name HB1 ))
      2.000     0.500     0.500 peak   909 spectrum    1 weight  0.10000E+01 volume  0.42217E-02 ppm1      3.029 ppm2      2.459 CV     1
 OR {  909}
   (( segid A    and resid 21   and name HB2 ))
   (( segid A    and resid 21   and name HB1 ))
 ASSI {  910}
   (( segid B    and resid 33   and name HA  ))
   (( segid B    and resid 33   and name HB1 ))
      3.200     1.300     1.300 peak   910 spectrum    1 weight  0.10000E+01 volume  0.24481E-02 ppm1      4.544 ppm2      2.459 CV     1
 OR {  910}
   (( segid A    and resid 33   and name HA  ))
   (( segid A    and resid 33   and name HB1 ))
 ASSI {  911}
   (( segid B    and resid 96   and name HG12))
   (( segid B    and resid 66   and name HB2 ))
      3.300     1.300     1.300 peak   911 spectrum    1 weight  0.10000E+01 volume  0.30185E-02 ppm1      1.253 ppm2      2.461 CV     1
 OR {  911}
   (( segid A    and resid 96   and name HG12))
   (( segid A    and resid 66   and name HB2 ))
 OR {  911}
   (( segid B    and resid 96   and name HG12))
   (( segid B    and resid 66   and name HG2 ))
 OR {  911}
   (( segid A    and resid 96   and name HG12))
   (( segid A    and resid 66   and name HG1 ))
 OR {  911}
   (( segid A    and resid 96   and name HG12))
   (( segid A    and resid 66   and name HG2 ))
 ASSI {  912}
   (( segid B    and resid 33   and name HB2 ))
   (( segid B    and resid 33   and name HB1 ))
      2.300     0.700     0.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.35840E-02 ppm1      3.205 ppm2      2.465 CV     1
 OR {  912}
   (( segid A    and resid 33   and name HB2 ))
   (( segid A    and resid 33   and name HB1 ))
 ASSI {  913}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 21   and name HB1 ))
      2.800     1.000     1.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.20303E-02 ppm1      0.928 ppm2      2.477 CV     1
 OR {  913}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 21   and name HB1 ))
 ASSI {  914}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 21   and name HB1 ))
      2.900     1.000     1.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.28639E-02 ppm1      0.652 ppm2      2.477 CV     1
 OR {  914}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 21   and name HB1 ))
 ASSI {  917}
   (( segid B    and resid 90   and name HA  ))
   (( segid B    and resid 21   and name HB1 ))
      2.600     0.900     0.900 peak   917 spectrum    1 weight  0.10000E+01 volume  0.14961E-02 ppm1      4.050 ppm2      2.490 CV     1
 OR {  917}
   (( segid A    and resid 90   and name HA  ))
   (( segid A    and resid 21   and name HB1 ))
 ASSI {  920}
   (  segid B    and resid 76   and name HE% )
   (( segid B    and resid 76   and name HG2 ))
      2.400     0.700     0.700 peak   920 spectrum    1 weight  0.10000E+01 volume  0.70967E-02 ppm1      1.357 ppm2      2.580 CV     1
 OR {  920}
   (  segid A    and resid 76   and name HE% )
   (( segid A    and resid 76   and name HG2 ))
 ASSI {  921}
   (( segid A    and resid 76   and name HB2 ))
   (( segid A    and resid 76   and name HG2 ))
      2.700     0.900     0.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.30299E-02 ppm1      2.101 ppm2      2.582 CV     1
 OR {  921}
   (( segid B    and resid 76   and name HB2 ))
   (( segid B    and resid 76   and name HG2 ))
 ASSI {  922}
   (( segid A    and resid 76   and name HB1 ))
   (( segid A    and resid 76   and name HG2 ))
      3.100     1.200     1.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.21395E-02 ppm1      1.776 ppm2      2.584 CV     1
 OR {  922}
   (( segid B    and resid 76   and name HB1 ))
   (( segid B    and resid 76   and name HG2 ))
 ASSI {  923}
   (  segid B    and resid 72   and name HG1%)
   (( segid B    and resid 76   and name HG2 ))
      2.600     0.800     0.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.40675E-02 ppm1      0.804 ppm2      2.585 CV     1
 OR {  923}
   (  segid A    and resid 72   and name HG1%)
   (( segid A    and resid 76   and name HG2 ))
 ASSI {  925}
   (( segid B    and resid 11   and name HA  ))
   (( segid B    and resid 11   and name HG1 ))
      2.700     0.900     0.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.65929E-02 ppm1      4.614 ppm2      2.589 CV     1
 OR {  925}
   (( segid A    and resid 11   and name HA  ))
   (( segid A    and resid 11   and name HG1 ))
 ASSI {  928}
   (( segid B    and resid 76   and name HA  ))
   (( segid B    and resid 76   and name HG2 ))
      3.100     1.200     1.200 peak   928 spectrum    1 weight  0.10000E+01 volume  0.15270E-02 ppm1      4.349 ppm2      2.592 CV     1
 OR {  928}
   (( segid A    and resid 76   and name HA  ))
   (( segid A    and resid 76   and name HG2 ))
 ASSI {  934}
   (( segid A    and resid 15   and name HB2 ))
   (( segid A    and resid 15   and name HB1 ))
      1.400     0.200     0.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.73958E-01 ppm1      2.714 ppm2      2.641 CV     1
 OR {  934}
   (( segid B    and resid 15   and name HB2 ))
   (( segid B    and resid 15   and name HB1 ))
 ASSI {  936}
   (( segid B    and resid 42   and name HB1 ))
   (( segid B    and resid 42   and name HG2 ))
      2.800     1.000     1.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.28282E-02 ppm1      2.184 ppm2      2.665 CV     1
 OR {  936}
   (( segid A    and resid 42   and name HB1 ))
   (( segid A    and resid 42   and name HG2 ))
 OR {  936}
   (( segid A    and resid 42   and name HB1 ))
   (( segid A    and resid 42   and name HG1 ))
 OR {  936}
   (( segid B    and resid 42   and name HB1 ))
   (( segid B    and resid 42   and name HG1 ))
 ASSI {  939}
   (( segid A    and resid 19   and name HB2 ))
   (( segid A    and resid 19   and name HB1 ))
      2.000     0.500     0.500 peak   939 spectrum    1 weight  0.10000E+01 volume  0.66001E-02 ppm1      2.957 ppm2      2.669 CV     1
 OR {  939}
   (( segid B    and resid 19   and name HB2 ))
   (( segid B    and resid 19   and name HB1 ))
 ASSI {  940}
   (( segid A    and resid 42   and name HA  ))
   (( segid A    and resid 42   and name HG1 ))
      3.500     1.500     1.500 peak   940 spectrum    1 weight  0.10000E+01 volume  0.17927E-02 ppm1      3.789 ppm2      2.670 CV     1
 OR {  940}
   (( segid B    and resid 42   and name HA  ))
   (( segid B    and resid 42   and name HG1 ))
 OR {  940}
   (( segid B    and resid 42   and name HA  ))
   (( segid B    and resid 42   and name HG2 ))
 OR {  940}
   (( segid A    and resid 42   and name HA  ))
   (( segid A    and resid 42   and name HG2 ))
 ASSI {  941}
   (( segid A    and resid 11   and name HG1 ))
   (( segid A    and resid 11   and name HG2 ))
      1.100     0.200     1.100 peak   941 spectrum    1 weight  0.10000E+01 volume  0.19827E+00 ppm1      2.585 ppm2      2.675 CV     1
 OR {  941}
   (( segid B    and resid 11   and name HG1 ))
   (( segid B    and resid 11   and name HG2 ))
 ASSI {  943}
   (( segid A    and resid 11   and name HA  ))
   (( segid A    and resid 11   and name HG2 ))
      3.200     1.300     1.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.26315E-02 ppm1      4.618 ppm2      2.678 CV     1
 OR {  943}
   (( segid B    and resid 11   and name HA  ))
   (( segid B    and resid 11   and name HG2 ))
 ASSI {  944}
   (( segid A    and resid 82   and name HA  ))
   (( segid A    and resid 82   and name HB1 ))
      2.900     1.100     1.100 peak   944 spectrum    1 weight  0.10000E+01 volume  0.26077E-02 ppm1      4.482 ppm2      2.690 CV     1
 OR {  944}
   (( segid B    and resid 82   and name HA  ))
   (( segid B    and resid 82   and name HB1 ))
 ASSI {  945}
   (( segid B    and resid 8    and name HB2 ))
   (( segid B    and resid 8    and name HB1 ))
      1.200     0.200     1.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.21676E+00 ppm1      2.795 ppm2      2.697 CV     1
 OR {  945}
   (( segid A    and resid 8    and name HB2 ))
   (( segid A    and resid 8    and name HB1 ))
 ASSI {  949}
   (( segid B    and resid 15   and name HA  ))
   (( segid B    and resid 15   and name HB2 ))
      2.300     0.600     0.600 peak   949 spectrum    1 weight  0.10000E+01 volume  0.16137E-01 ppm1      4.586 ppm2      2.715 CV     1
 OR {  949}
   (( segid A    and resid 15   and name HA  ))
   (( segid A    and resid 15   and name HB2 ))
 ASSI {  953}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 15   and name HB2 ))
      3.000     1.100     1.100 peak   953 spectrum    1 weight  0.10000E+01 volume  0.38134E-02 ppm1      1.978 ppm2      2.739 CV     1
 OR {  953}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 15   and name HB2 ))
 OR {  953}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 15   and name HB2 ))
 OR {  953}
   (( segid B    and resid 69   and name HG1 ))
   (( segid B    and resid 15   and name HB2 ))
 ASSI {  954}
   (( segid B    and resid 36   and name HA  ))
   (( segid B    and resid 36   and name HB1 ))
      2.900     1.000     1.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.41300E-02 ppm1      4.443 ppm2      2.742 CV     1
 OR {  954}
   (( segid A    and resid 36   and name HA  ))
   (( segid A    and resid 36   and name HB1 ))
 ASSI {  955}
   (( segid A    and resid 36   and name HB2 ))
   (( segid A    and resid 36   and name HB1 ))
      2.100     0.600     0.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.52968E-02 ppm1      3.027 ppm2      2.751 CV     1
 OR {  955}
   (( segid B    and resid 36   and name HB2 ))
   (( segid B    and resid 36   and name HB1 ))
 ASSI {  958}
   (( segid A    and resid 87   and name HA  ))
   (( segid A    and resid 87   and name HB1 ))
      2.400     0.700     0.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.60347E-02 ppm1      4.195 ppm2      2.765 CV     1
 OR {  958}
   (( segid B    and resid 87   and name HA  ))
   (( segid B    and resid 87   and name HB1 ))
 ASSI {  959}
   (( segid B    and resid 87   and name HB2 ))
   (( segid B    and resid 87   and name HB1 ))
      1.500     0.300     0.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.29583E-01 ppm1      3.089 ppm2      2.768 CV     1
 OR {  959}
   (( segid A    and resid 87   and name HB2 ))
   (( segid A    and resid 87   and name HB1 ))
 ASSI {  960}
   (( segid B    and resid 69   and name HD2 ))
   (( segid B    and resid 69   and name HD1 ))
      2.000     0.500     0.500 peak   960 spectrum    1 weight  0.10000E+01 volume  0.30425E-02 ppm1      3.404 ppm2      2.788 CV     1
 OR {  960}
   (( segid A    and resid 69   and name HD2 ))
   (( segid A    and resid 69   and name HD1 ))
 ASSI {  964}
   (( segid B    and resid 69   and name HG1 ))
   (( segid B    and resid 69   and name HD1 ))
      2.400     0.700     0.700 peak   964 spectrum    1 weight  0.10000E+01 volume  0.42448E-02 ppm1      1.979 ppm2      2.802 CV     1
 OR {  964}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 69   and name HD1 ))
 OR {  964}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 69   and name HD1 ))
 OR {  964}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 69   and name HD1 ))
 ASSI {  967}
   (( segid A    and resid 116  and name HD1 ))
   (( segid A    and resid 114  and name HB2 ))
      2.100     2.100     3.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.71804E-02 ppm1      3.269 ppm2      2.836 CV     1
 OR {  967}
   (( segid B    and resid 116  and name HD1 ))
   (( segid B    and resid 114  and name HB2 ))
 OR {  967}
   (( segid A    and resid 116  and name HD2 ))
   (( segid A    and resid 114  and name HB2 ))
 OR {  967}
   (( segid B    and resid 116  and name HD2 ))
   (( segid B    and resid 114  and name HB2 ))
 ASSI {  968}
   (  segid B    and resid 106  and name HE% )
   (( segid B    and resid 56   and name HB1 ))
      2.900     1.100     1.100 peak   968 spectrum    1 weight  0.10000E+01 volume  0.33787E-02 ppm1      2.070 ppm2      2.842 CV     1
 OR {  968}
   (  segid A    and resid 106  and name HE% )
   (( segid A    and resid 56   and name HB1 ))
 ASSI {  974}
   (( segid A    and resid 52   and name HA1 ))
   (( segid A    and resid 105  and name HB2 ))
      3.500     1.500     1.500 peak   974 spectrum    1 weight  0.10000E+01 volume  0.14354E-02 ppm1      5.407 ppm2      2.902 CV     1
 OR {  974}
   (( segid B    and resid 52   and name HA1 ))
   (( segid B    and resid 105  and name HB2 ))
 OR {  974}
   (( segid B    and resid 52   and name HA2 ))
   (( segid B    and resid 105  and name HB2 ))
 OR {  974}
   (( segid A    and resid 52   and name HA2 ))
   (( segid A    and resid 105  and name HB2 ))
 ASSI {  975}
   (( segid B    and resid 98   and name HG2 ))
   (( segid B    and resid 100  and name HD1 ))
      3.300     3.300     2.700 peak   975 spectrum    1 weight  0.10000E+01 volume  0.19666E-02 ppm1      1.421 ppm2      2.905 CV     1
 OR {  975}
   (( segid B    and resid 98   and name HG2 ))
   (( segid B    and resid 100  and name HD2 ))
 OR {  975}
   (( segid A    and resid 98   and name HG2 ))
   (( segid A    and resid 100  and name HD1 ))
 OR {  975}
   (( segid A    and resid 98   and name HG2 ))
   (( segid A    and resid 100  and name HD2 ))
 ASSI {  978}
   (  segid A    and resid 106  and name HE% )
   (( segid A    and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.33683E-02 ppm1      2.068 ppm2      2.930 CV     1
 OR {  978}
   (  segid B    and resid 106  and name HE% )
   (( segid B    and resid 56   and name HB2 ))
 ASSI {  981}
   (  segid A    and resid 25   and name HB% )
   (( segid A    and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.62800E-02 ppm1      1.289 ppm2      2.951 CV     1
 OR {  981}
   (  segid B    and resid 25   and name HB% )
   (( segid B    and resid 61   and name HB1 ))
 OR {  981}
   (  segid B    and resid 25   and name HB% )
   (( segid B    and resid 61   and name HB2 ))
 OR {  981}
   (  segid A    and resid 25   and name HB% )
   (( segid A    and resid 61   and name HB1 ))
 ASSI {  988}
   (( segid A    and resid 28   and name HB1 ))
   (( segid A    and resid 28   and name HB2 ))
      1.700     0.400     0.500 peak   988 spectrum    1 weight  0.10000E+01 volume  0.23389E-01 ppm1      2.649 ppm2      2.976 CV     1
 OR {  988}
   (( segid B    and resid 28   and name HB1 ))
   (( segid B    and resid 28   and name HB2 ))
 ASSI {  989}
   (( segid B    and resid 93   and name HG2 ))
   (( segid B    and resid 19   and name HB2 ))
      3.500     1.500     1.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      2.243 ppm2      2.976 CV     1
 OR {  989}
   (( segid A    and resid 93   and name HG2 ))
   (( segid A    and resid 19   and name HB2 ))
 ASSI {  990}
   (  segid A    and resid 72   and name HG1%)
   (( segid A    and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.48251E-02 ppm1      0.808 ppm2      2.977 CV     1
 OR {  990}
   (  segid B    and resid 72   and name HG1%)
   (( segid B    and resid 19   and name HB2 ))
 ASSI {  991}
   (( segid A    and resid 33   and name HA  ))
   (( segid A    and resid 37   and name HA  ))
      3.400     3.400     2.600 peak   991 spectrum    1 weight  0.10000E+01 volume  0.20284E-02 ppm1      4.547 ppm2      2.978 CV     1
 OR {  991}
   (( segid B    and resid 33   and name HA  ))
   (( segid B    and resid 37   and name HA  ))
 ASSI {  995}
   (( segid B    and resid 64   and name HA  ))
   (( segid B    and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak   995 spectrum    1 weight  0.10000E+01 volume  0.23544E-02 ppm1      5.414 ppm2      2.994 CV     1
 OR {  995}
   (( segid A    and resid 64   and name HA  ))
   (( segid A    and resid 64   and name HB1 ))
 OR {  995}
   (( segid A    and resid 64   and name HA  ))
   (( segid A    and resid 64   and name HB2 ))
 OR {  995}
   (( segid B    and resid 64   and name HA  ))
   (( segid B    and resid 64   and name HB1 ))
 ASSI {  997}
   (( segid B    and resid 98   and name HD1 ))
   (( segid B    and resid 98   and name HE2 ))
      1.800     0.400     0.400 peak   997 spectrum    1 weight  0.10000E+01 volume  0.31718E-01 ppm1      1.680 ppm2      3.014 CV     1
 OR {  997}
   (( segid A    and resid 98   and name HD1 ))
   (( segid A    and resid 98   and name HE2 ))
 OR {  997}
   (( segid A    and resid 98   and name HD2 ))
   (( segid A    and resid 98   and name HE1 ))
 OR {  997}
   (( segid B    and resid 98   and name HD2 ))
   (( segid B    and resid 98   and name HE2 ))
 OR {  997}
   (( segid A    and resid 98   and name HD2 ))
   (( segid A    and resid 98   and name HE2 ))
 OR {  997}
   (( segid A    and resid 98   and name HD1 ))
   (( segid A    and resid 98   and name HE1 ))
 OR {  997}
   (( segid B    and resid 98   and name HD1 ))
   (( segid B    and resid 98   and name HE1 ))
 ASSI { 1002}
   (( segid B    and resid 98   and name HB1 ))
   (( segid B    and resid 98   and name HE1 ))
      2.900     1.000     1.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.30856E-02 ppm1      1.720 ppm2      3.018 CV     1
 OR { 1002}
   (( segid A    and resid 98   and name HB1 ))
   (( segid A    and resid 98   and name HE1 ))
 OR { 1002}
   (( segid B    and resid 98   and name HB1 ))
   (( segid B    and resid 98   and name HE2 ))
 OR { 1002}
   (( segid A    and resid 98   and name HB1 ))
   (( segid A    and resid 98   and name HE2 ))
 ASSI { 1005}
   (( segid A    and resid 36   and name HA  ))
   (( segid A    and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.17097E-02 ppm1      4.438 ppm2      3.055 CV     1
 OR { 1005}
   (( segid B    and resid 36   and name HA  ))
   (( segid B    and resid 36   and name HB2 ))
 ASSI { 1006}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.23714E-02 ppm1      0.652 ppm2      3.064 CV     1
 OR { 1006}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 21   and name HB2 ))
 ASSI { 1009}
   (( segid A    and resid 90   and name HA  ))
   (( segid A    and resid 21   and name HB2 ))
      3.400     1.400     1.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.13748E-02 ppm1      4.060 ppm2      3.079 CV     1
 OR { 1009}
   (( segid B    and resid 90   and name HA  ))
   (( segid B    and resid 21   and name HB2 ))
 ASSI { 1011}
   (( segid B    and resid 87   and name HA  ))
   (( segid B    and resid 87   and name HB2 ))
      2.500     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.85642E-02 ppm1      4.198 ppm2      3.090 CV     1
 OR { 1011}
   (( segid A    and resid 87   and name HA  ))
   (( segid A    and resid 87   and name HB2 ))
 ASSI { 1013}
   (( segid A    and resid 101  and name HA  ))
   (( segid A    and resid 101  and name HB1 ))
      3.200     1.300     1.300 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.13024E-02 ppm1      4.607 ppm2      3.101 CV     1
 OR { 1013}
   (( segid B    and resid 101  and name HA  ))
   (( segid B    and resid 101  and name HB1 ))
 ASSI { 1018}
   (  segid B    and resid 71   and name HB% )
   (( segid B    and resid 68   and name HB1 ))
      2.400     0.700     0.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.60485E-02 ppm1      1.760 ppm2      3.182 CV     1
 OR { 1018}
   (  segid A    and resid 71   and name HB% )
   (( segid A    and resid 68   and name HB1 ))
 ASSI { 1021}
   (( segid A    and resid 44   and name HA  ))
   (( segid A    and resid 44   and name HB1 ))
      2.800     1.000     1.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.53263E-02 ppm1      4.216 ppm2      3.197 CV     1
 OR { 1021}
   (( segid B    and resid 44   and name HA  ))
   (( segid B    and resid 44   and name HB1 ))
 ASSI { 1025}
   (( segid B    and resid 32   and name HA  ))
   (( segid B    and resid 32   and name HD2 ))
      2.800     1.000     1.000 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.31971E-02 ppm1      3.989 ppm2      3.229 CV     1
 OR { 1025}
   (( segid A    and resid 32   and name HA  ))
   (( segid A    and resid 32   and name HD2 ))
 OR { 1025}
   (( segid B    and resid 32   and name HA  ))
   (( segid B    and resid 32   and name HD1 ))
 OR { 1025}
   (( segid A    and resid 32   and name HA  ))
   (( segid A    and resid 32   and name HD1 ))
 ASSI { 1026}
   (( segid B    and resid 35   and name HG  ))
   (( segid B    and resid 32   and name HD1 ))
      2.900     1.000     1.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.24139E-02 ppm1      1.882 ppm2      3.232 CV     1
 OR { 1026}
   (( segid A    and resid 35   and name HG  ))
   (( segid A    and resid 32   and name HD1 ))
 OR { 1026}
   (( segid B    and resid 35   and name HG  ))
   (( segid B    and resid 32   and name HD2 ))
 OR { 1026}
   (( segid A    and resid 35   and name HG  ))
   (( segid A    and resid 32   and name HD2 ))
 ASSI { 1027}
   (( segid B    and resid 81   and name HA  ))
   (( segid B    and resid 81   and name HD2 ))
      3.100     1.200     1.200 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.41972E-02 ppm1      4.513 ppm2      3.236 CV     1
 OR { 1027}
   (( segid A    and resid 81   and name HA  ))
   (( segid A    and resid 81   and name HD2 ))
 OR { 1027}
   (( segid B    and resid 81   and name HA  ))
   (( segid B    and resid 81   and name HD1 ))
 OR { 1027}
   (( segid A    and resid 81   and name HA  ))
   (( segid A    and resid 81   and name HD1 ))
 ASSI { 1030}
   (( segid B    and resid 81   and name HB1 ))
   (( segid B    and resid 81   and name HD2 ))
      2.500     0.800     0.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.76381E-02 ppm1      1.831 ppm2      3.245 CV     1
 OR { 1030}
   (( segid A    and resid 81   and name HB1 ))
   (( segid A    and resid 81   and name HD2 ))
 OR { 1030}
   (( segid A    and resid 81   and name HB1 ))
   (( segid A    and resid 81   and name HD1 ))
 OR { 1030}
   (( segid B    and resid 81   and name HB1 ))
   (( segid B    and resid 81   and name HD1 ))
 ASSI { 1031}
   (( segid B    and resid 101  and name HA  ))
   (( segid B    and resid 101  and name HB2 ))
      3.300     1.400     1.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.15510E-02 ppm1      4.616 ppm2      3.246 CV     1
 OR { 1031}
   (( segid A    and resid 101  and name HA  ))
   (( segid A    and resid 101  and name HB2 ))
 ASSI { 1032}
   (( segid B    and resid 81   and name HB2 ))
   (( segid B    and resid 81   and name HD2 ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.49013E-02 ppm1      1.979 ppm2      3.266 CV     1
 OR { 1032}
   (( segid A    and resid 81   and name HB2 ))
   (( segid A    and resid 81   and name HD2 ))
 OR { 1032}
   (( segid A    and resid 81   and name HB2 ))
   (( segid A    and resid 81   and name HD1 ))
 OR { 1032}
   (( segid B    and resid 81   and name HB2 ))
   (( segid B    and resid 81   and name HD1 ))
 ASSI { 1033}
   (( segid B    and resid 45   and name HA  ))
   (( segid B    and resid 45   and name HB1 ))
      3.300     1.400     1.400 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.12238E-02 ppm1      4.139 ppm2      3.275 CV     1
 OR { 1033}
   (( segid A    and resid 45   and name HA  ))
   (( segid A    and resid 45   and name HB1 ))
 OR { 1033}
   (( segid B    and resid 45   and name HA  ))
   (( segid B    and resid 45   and name HB2 ))
 OR { 1033}
   (( segid A    and resid 45   and name HA  ))
   (( segid A    and resid 45   and name HB2 ))
 ASSI { 1034}
   (( segid B    and resid 81   and name HG2 ))
   (( segid B    and resid 81   and name HD1 ))
      2.100     0.600     0.600 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.14390E-01 ppm1      1.717 ppm2      3.276 CV     1
 OR { 1034}
   (( segid A    and resid 81   and name HG1 ))
   (( segid A    and resid 81   and name HD1 ))
 OR { 1034}
   (( segid A    and resid 81   and name HG2 ))
   (( segid A    and resid 81   and name HD2 ))
 OR { 1034}
   (( segid B    and resid 81   and name HG1 ))
   (( segid B    and resid 81   and name HD2 ))
 OR { 1034}
   (( segid B    and resid 81   and name HG2 ))
   (( segid B    and resid 81   and name HD2 ))
 OR { 1034}
   (( segid A    and resid 81   and name HG2 ))
   (( segid A    and resid 81   and name HD1 ))
 OR { 1034}
   (( segid B    and resid 81   and name HG1 ))
   (( segid B    and resid 81   and name HD1 ))
 ASSI { 1036}
   (( segid A    and resid 47   and name HB2 ))
   (( segid A    and resid 47   and name HD1 ))
      2.300     0.600     0.600 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.13457E-01 ppm1      1.941 ppm2      3.281 CV     1
 OR { 1036}
   (( segid B    and resid 47   and name HB2 ))
   (( segid B    and resid 47   and name HD2 ))
 OR { 1036}
   (( segid A    and resid 47   and name HB1 ))
   (( segid A    and resid 47   and name HD1 ))
 OR { 1036}
   (( segid B    and resid 47   and name HB1 ))
   (( segid B    and resid 47   and name HD2 ))
 OR { 1036}
   (( segid B    and resid 47   and name HB1 ))
   (( segid B    and resid 47   and name HD1 ))
 OR { 1036}
   (( segid A    and resid 47   and name HB1 ))
   (( segid A    and resid 47   and name HD2 ))
 OR { 1036}
   (( segid A    and resid 47   and name HB2 ))
   (( segid A    and resid 47   and name HD2 ))
 ASSI { 1037}
   (( segid B    and resid 47   and name HA  ))
   (( segid B    and resid 47   and name HD1 ))
      3.000     1.100     1.100 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.46678E-02 ppm1      4.145 ppm2      3.281 CV     1
 OR { 1037}
   (( segid A    and resid 47   and name HA  ))
   (( segid A    and resid 47   and name HD2 ))
 OR { 1037}
   (( segid A    and resid 47   and name HA  ))
   (( segid A    and resid 47   and name HD1 ))
 OR { 1037}
   (( segid B    and resid 47   and name HA  ))
   (( segid B    and resid 47   and name HD2 ))
 ASSI { 1040}
   (( segid B    and resid 83   and name HB1 ))
   (( segid B    and resid 83   and name HD2 ))
      2.800     1.000     1.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.35444E-02 ppm1      2.067 ppm2      3.315 CV     1
 OR { 1040}
   (( segid A    and resid 83   and name HB1 ))
   (( segid A    and resid 83   and name HD2 ))
 OR { 1040}
   (( segid B    and resid 83   and name HB1 ))
   (( segid B    and resid 83   and name HD1 ))
 OR { 1040}
   (( segid A    and resid 83   and name HB1 ))
   (( segid A    and resid 83   and name HD1 ))
 ASSI { 1041}
   (( segid B    and resid 44   and name HB1 ))
   (( segid B    and resid 44   and name HB2 ))
      2.100     0.600     0.600 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.45439E-02 ppm1      3.196 ppm2      3.318 CV     1
 OR { 1041}
   (( segid A    and resid 44   and name HB1 ))
   (( segid A    and resid 44   and name HB2 ))
 ASSI { 1042}
   (( segid B    and resid 83   and name HB2 ))
   (( segid B    and resid 83   and name HD1 ))
      2.900     1.100     1.100 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.37068E-02 ppm1      2.135 ppm2      3.320 CV     1
 OR { 1042}
   (( segid A    and resid 83   and name HB2 ))
   (( segid A    and resid 83   and name HD1 ))
 OR { 1042}
   (( segid B    and resid 83   and name HB2 ))
   (( segid B    and resid 83   and name HD2 ))
 OR { 1042}
   (( segid A    and resid 83   and name HB2 ))
   (( segid A    and resid 83   and name HD2 ))
 ASSI { 1045}
   (( segid A    and resid 68   and name HB1 ))
   (( segid A    and resid 68   and name HB2 ))
      1.900     0.400     0.400 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.67628E-02 ppm1      3.188 ppm2      3.390 CV     1
 OR { 1045}
   (( segid B    and resid 68   and name HB1 ))
   (( segid B    and resid 68   and name HB2 ))
 ASSI { 1046}
   (( segid A    and resid 69   and name HB1 ))
   (( segid A    and resid 69   and name HD2 ))
      3.900     1.900     1.900 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.19383E-02 ppm1      2.021 ppm2      3.391 CV     1
 OR { 1046}
   (( segid B    and resid 69   and name HB1 ))
   (( segid B    and resid 69   and name HD2 ))
 ASSI { 1047}
   (  segid A    and resid 71   and name HB% )
   (( segid A    and resid 68   and name HB2 ))
      3.200     1.300     1.300 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.63572E-02 ppm1      1.760 ppm2      3.392 CV     1
 OR { 1047}
   (  segid B    and resid 71   and name HB% )
   (( segid B    and resid 68   and name HB2 ))
 ASSI { 1048}
   (( segid B    and resid 68   and name HA  ))
   (( segid B    and resid 68   and name HB2 ))
      2.000     0.500     0.500 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.82794E-02 ppm1      5.130 ppm2      3.395 CV     1
 OR { 1048}
   (( segid A    and resid 68   and name HA  ))
   (( segid A    and resid 68   and name HB2 ))
 ASSI { 1049}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 69   and name HD2 ))
      2.300     0.600     0.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.56688E-02 ppm1      1.977 ppm2      3.400 CV     1
 OR { 1049}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 69   and name HD2 ))
 OR { 1049}
   (( segid B    and resid 69   and name HG1 ))
   (( segid B    and resid 69   and name HD2 ))
 OR { 1049}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 69   and name HD2 ))
 ASSI { 1052}
   (  segid A    and resid 17   and name HG1%)
   (( segid A    and resid 69   and name HD2 ))
      4.400     2.400     1.600 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.29120E-02 ppm1      0.875 ppm2      3.428 CV     1
 OR { 1052}
   (  segid B    and resid 17   and name HG1%)
   (( segid B    and resid 69   and name HD2 ))
 ASSI { 1053}
   (( segid A    and resid 69   and name HA  ))
   (( segid A    and resid 69   and name HD2 ))
      3.700     1.700     1.700 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.13099E-02 ppm1      4.129 ppm2      3.436 CV     1
 OR { 1053}
   (( segid B    and resid 69   and name HA  ))
   (( segid B    and resid 69   and name HD2 ))
 ASSI { 1055}
   (  segid A    and resid 75   and name HG1%)
   (( segid A    and resid 72   and name HA  ))
      2.600     0.900     0.900 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.10272E-01 ppm1      0.966 ppm2      3.454 CV     1
 OR { 1055}
   (  segid B    and resid 75   and name HG1%)
   (( segid B    and resid 72   and name HA  ))
 ASSI { 1062}
   (( segid A    and resid 85   and name HB2 ))
   (( segid A    and resid 85   and name HB1 ))
      2.700     2.700     3.300 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.10208E-02 ppm1      3.779 ppm2      3.507 CV     1
 OR { 1062}
   (( segid B    and resid 85   and name HB2 ))
   (( segid B    and resid 85   and name HB1 ))
 ASSI { 1063}
   (( segid A    and resid 59   and name HA2 ))
   (( segid A    and resid 59   and name HA1 ))
      2.200     0.600     0.600 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.50810E-02 ppm1      4.271 ppm2      3.508 CV     1
 OR { 1063}
   (( segid B    and resid 59   and name HA2 ))
   (( segid B    and resid 59   and name HA1 ))
 ASSI { 1067}
   (( segid B    and resid 40   and name HB  ))
   (( segid B    and resid 41   and name HA  ))
      4.100     2.100     1.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.13841E-02 ppm1      4.046 ppm2      3.585 CV     1
 OR { 1067}
   (( segid A    and resid 40   and name HB  ))
   (( segid A    and resid 41   and name HA  ))
 OR { 1067}
   (( segid B    and resid 40   and name HB  ))
   (( segid B    and resid 41   and name HB1 ))
 OR { 1067}
   (( segid A    and resid 40   and name HB  ))
   (( segid A    and resid 41   and name HB1 ))
 OR { 1067}
   (( segid B    and resid 40   and name HB  ))
   (( segid B    and resid 41   and name HB2 ))
 OR { 1067}
   (( segid A    and resid 40   and name HB  ))
   (( segid A    and resid 41   and name HB2 ))
 ASSI { 1069}
   (( segid A    and resid 44   and name HB1 ))
   (( segid A    and resid 41   and name HA  ))
      3.200     1.300     1.300 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.12246E-02 ppm1      3.195 ppm2      3.586 CV     1
 OR { 1069}
   (( segid B    and resid 44   and name HB1 ))
   (( segid B    and resid 41   and name HA  ))
 ASSI { 1074}
   (  segid A    and resid 79   and name HD1%)
   (( segid A    and resid 79   and name HA  ))
      4.100     2.100     1.900 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.22053E-02 ppm1      0.168 ppm2      3.622 CV     1
 OR { 1074}
   (  segid B    and resid 79   and name HD1%)
   (( segid B    and resid 79   and name HA  ))
 ASSI { 1078}
   (( segid B    and resid 56   and name HA  ))
   (( segid B    and resid 57   and name HB1 ))
      4.000     2.000     2.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.13365E-02 ppm1      5.547 ppm2      3.677 CV     1
 OR { 1078}
   (( segid A    and resid 56   and name HA  ))
   (( segid A    and resid 57   and name HB1 ))
 OR { 1078}
   (( segid A    and resid 56   and name HA  ))
   (( segid A    and resid 57   and name HB2 ))
 OR { 1078}
   (( segid B    and resid 56   and name HA  ))
   (( segid B    and resid 57   and name HB2 ))
 ASSI { 1083}
   (( segid B    and resid 23   and name HB2 ))
   (( segid B    and resid 23   and name HB1 ))
      2.300     0.700     0.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.23840E-02 ppm1      3.842 ppm2      3.714 CV     1
 OR { 1083}
   (( segid A    and resid 23   and name HB2 ))
   (( segid A    and resid 23   and name HB1 ))
 ASSI { 1087}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 80   and name HA  ))
      2.200     0.600     0.600 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.12672E-01 ppm1      0.135 ppm2      3.718 CV     1
 OR { 1087}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 80   and name HA  ))
 ASSI { 1088}
   (( segid A    and resid 80   and name HG1 ))
   (( segid A    and resid 80   and name HA  ))
      2.900     1.000     1.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.82800E-02 ppm1      2.043 ppm2      3.719 CV     1
 OR { 1088}
   (( segid B    and resid 80   and name HG1 ))
   (( segid B    and resid 80   and name HA  ))
 ASSI { 1089}
   (( segid B    and resid 80   and name HB2 ))
   (( segid B    and resid 80   and name HA  ))
      2.900     1.000     1.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.48267E-02 ppm1      2.065 ppm2      3.719 CV     1
 OR { 1089}
   (( segid A    and resid 80   and name HB2 ))
   (( segid A    and resid 80   and name HA  ))
 ASSI { 1092}
   (( segid A    and resid 18   and name HA  ))
   (( segid A    and resid 18   and name HB1 ))
      3.100     1.200     1.200 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.11371E-02 ppm1      5.721 ppm2      3.739 CV     1
 OR { 1092}
   (( segid B    and resid 18   and name HA  ))
   (( segid B    and resid 18   and name HB1 ))
 ASSI { 1094}
   (( segid A    and resid 61   and name HB1 ))
   (( segid A    and resid 23   and name HB1 ))
      3.400     1.500     1.500 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.10428E-02 ppm1      2.908 ppm2      3.768 CV     1
 OR { 1094}
   (( segid A    and resid 61   and name HB2 ))
   (( segid A    and resid 23   and name HB1 ))
 OR { 1094}
   (( segid B    and resid 61   and name HB2 ))
   (( segid B    and resid 23   and name HB1 ))
 OR { 1094}
   (( segid B    and resid 61   and name HB1 ))
   (( segid B    and resid 23   and name HB1 ))
 ASSI { 1108}
   (  segid A    and resid 26   and name HB% )
   (( segid A    and resid 27   and name HD1 ))
      3.500     1.500     1.500 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.50268E-02 ppm1      1.540 ppm2      3.838 CV     1
 OR { 1108}
   (  segid B    and resid 26   and name HB% )
   (( segid B    and resid 27   and name HD1 ))
 ASSI { 1109}
   (( segid A    and resid 18   and name HA  ))
   (( segid A    and resid 18   and name HB2 ))
      2.900     1.100     1.100 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.13726E-02 ppm1      5.715 ppm2      3.857 CV     1
 OR { 1109}
   (( segid B    and resid 18   and name HA  ))
   (( segid B    and resid 18   and name HB2 ))
 ASSI { 1111}
   (( segid A    and resid 77   and name HA  ))
   (( segid A    and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.14718E-01 ppm1      4.110 ppm2      3.864 CV     1
 OR { 1111}
   (( segid B    and resid 77   and name HA  ))
   (( segid B    and resid 77   and name HB2 ))
 OR { 1111}
   (( segid A    and resid 77   and name HA  ))
   (( segid A    and resid 77   and name HB1 ))
 OR { 1111}
   (( segid B    and resid 77   and name HA  ))
   (( segid B    and resid 77   and name HB1 ))
 ASSI { 1113}
   (( segid A    and resid 18   and name HB1 ))
   (( segid A    and resid 18   and name HB2 ))
      2.300     0.700     0.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.21945E-02 ppm1      3.722 ppm2      3.869 CV     1
 OR { 1113}
   (( segid B    and resid 18   and name HB1 ))
   (( segid B    and resid 18   and name HB2 ))
 ASSI { 1115}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 18   and name HB2 ))
      3.100     1.200     1.200 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.27316E-02 ppm1      1.042 ppm2      3.882 CV     1
 OR { 1115}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 18   and name HB2 ))
 ASSI { 1116}
   (( segid B    and resid 27   and name HB2 ))
   (( segid B    and resid 27   and name HD2 ))
      3.500     1.600     1.600 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.35093E-02 ppm1      2.437 ppm2      3.885 CV     1
 OR { 1116}
   (( segid A    and resid 27   and name HB2 ))
   (( segid A    and resid 27   and name HD2 ))
 ASSI { 1118}
   (( segid B    and resid 27   and name HB1 ))
   (( segid B    and resid 27   and name HD2 ))
      3.400     1.400     1.400 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.38815E-02 ppm1      2.055 ppm2      3.887 CV     1
 OR { 1118}
   (( segid A    and resid 27   and name HB1 ))
   (( segid A    and resid 27   and name HD2 ))
 ASSI { 1120}
   (( segid A    and resid 74   and name HA  ))
   (( segid A    and resid 77   and name HB2 ))
      2.600     0.900     0.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.47653E-02 ppm1      4.004 ppm2      3.887 CV     1
 OR { 1120}
   (( segid B    and resid 74   and name HA  ))
   (( segid B    and resid 77   and name HB2 ))
 OR { 1120}
   (( segid A    and resid 74   and name HA  ))
   (( segid A    and resid 77   and name HB1 ))
 OR { 1120}
   (( segid B    and resid 74   and name HA  ))
   (( segid B    and resid 77   and name HB1 ))
 ASSI { 1122}
   (( segid B    and resid 14   and name HA  ))
   (( segid B    and resid 14   and name HB1 ))
      2.500     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.65828E-02 ppm1      4.601 ppm2      3.892 CV     1
 OR { 1122}
   (( segid A    and resid 14   and name HA  ))
   (( segid A    and resid 14   and name HB1 ))
 ASSI { 1123}
   (( segid A    and resid 26   and name HA  ))
   (( segid A    and resid 27   and name HD2 ))
      2.300     0.600     0.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.66851E-02 ppm1      4.609 ppm2      3.898 CV     1
 OR { 1123}
   (( segid B    and resid 26   and name HA  ))
   (( segid B    and resid 27   and name HD2 ))
 ASSI { 1128}
   (  segid A    and resid 26   and name HB% )
   (( segid A    and resid 27   and name HD2 ))
      2.700     0.900     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.83375E-02 ppm1      1.539 ppm2      3.917 CV     1
 OR { 1128}
   (  segid B    and resid 26   and name HB% )
   (( segid B    and resid 27   and name HD2 ))
 ASSI { 1133}
   (( segid B    and resid 87   and name HB1 ))
   (( segid B    and resid 86   and name HB1 ))
      4.100     2.100     1.900 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.95274E-03 ppm1      2.781 ppm2      3.923 CV     1
 OR { 1133}
   (( segid A    and resid 87   and name HB1 ))
   (( segid A    and resid 86   and name HB1 ))
 ASSI { 1136}
   (( segid A    and resid 87   and name HB2 ))
   (( segid A    and resid 86   and name HB1 ))
      3.400     1.500     1.500 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.12779E-02 ppm1      3.090 ppm2      3.939 CV     1
 OR { 1136}
   (( segid B    and resid 87   and name HB2 ))
   (( segid B    and resid 86   and name HB1 ))
 ASSI { 1139}
   (( segid A    and resid 86   and name HB2 ))
   (( segid A    and resid 86   and name HB1 ))
      1.800     0.400     0.400 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.90979E-02 ppm1      4.074 ppm2      3.946 CV     1
 OR { 1139}
   (( segid B    and resid 86   and name HB2 ))
   (( segid B    and resid 86   and name HB1 ))
 ASSI { 1144}
   (( segid A    and resid 14   and name HA  ))
   (( segid A    and resid 14   and name HB2 ))
      2.400     0.700     0.700 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.74299E-02 ppm1      4.601 ppm2      3.965 CV     1
 OR { 1144}
   (( segid B    and resid 14   and name HA  ))
   (( segid B    and resid 14   and name HB2 ))
 ASSI { 1146}
   (( segid A    and resid 94   and name HA  ))
   (( segid A    and resid 95   and name HB1 ))
      3.500     1.500     1.500 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.32388E-02 ppm1      4.929 ppm2      3.965 CV     1
 OR { 1146}
   (( segid B    and resid 94   and name HA  ))
   (( segid B    and resid 95   and name HB1 ))
 OR { 1146}
   (( segid B    and resid 94   and name HA  ))
   (( segid B    and resid 95   and name HB2 ))
 OR { 1146}
   (( segid A    and resid 94   and name HA  ))
   (( segid A    and resid 95   and name HB2 ))
 ASSI { 1148}
   (( segid B    and resid 26   and name HA  ))
   (( segid B    and resid 86   and name HB1 ))
      3.000     1.100     1.100 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.59101E-02 ppm1      4.611 ppm2      3.971 CV     1
 OR { 1148}
   (( segid A    and resid 26   and name HA  ))
   (( segid A    and resid 86   and name HB1 ))
 ASSI { 1151}
   (  segid B    and resid 26   and name HB% )
   (( segid B    and resid 86   and name HB1 ))
      3.000     1.100     1.100 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.70584E-02 ppm1      1.537 ppm2      3.976 CV     1
 OR { 1151}
   (  segid A    and resid 26   and name HB% )
   (( segid A    and resid 86   and name HB1 ))
 ASSI { 1159}
   (( segid A    and resid 112  and name HG2 ))
   (( segid A    and resid 112  and name HA  ))
      3.400     1.400     1.400 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.22905E-02 ppm1      2.437 ppm2      3.979 CV     1
 OR { 1159}
   (( segid B    and resid 112  and name HG2 ))
   (( segid B    and resid 112  and name HA  ))
 ASSI { 1161}
   (( segid A    and resid 35   and name HB2 ))
   (( segid A    and resid 32   and name HA  ))
      3.300     1.300     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.13716E-02 ppm1      1.963 ppm2      3.987 CV     1
 OR { 1161}
   (( segid B    and resid 35   and name HB2 ))
   (( segid B    and resid 32   and name HA  ))
 ASSI { 1165}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 95   and name HB1 ))
      2.700     0.900     0.900 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.81077E-02 ppm1      0.966 ppm2      3.992 CV     1
 OR { 1165}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 95   and name HB1 ))
 OR { 1165}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 95   and name HB2 ))
 OR { 1165}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 95   and name HB2 ))
 ASSI { 1166}
   (( segid B    and resid 49   and name HG2 ))
   (( segid B    and resid 49   and name HA  ))
      2.400     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.11465E-01 ppm1      2.336 ppm2      3.993 CV     1
 OR { 1166}
   (( segid A    and resid 49   and name HG1 ))
   (( segid A    and resid 49   and name HA  ))
 OR { 1166}
   (( segid B    and resid 49   and name HG1 ))
   (( segid B    and resid 49   and name HA  ))
 OR { 1166}
   (( segid A    and resid 49   and name HG2 ))
   (( segid A    and resid 49   and name HA  ))
 ASSI { 1167}
   (( segid A    and resid 35   and name HB1 ))
   (( segid A    and resid 32   and name HA  ))
      3.800     1.800     1.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.15825E-02 ppm1      1.619 ppm2      3.994 CV     1
 OR { 1167}
   (( segid B    and resid 35   and name HB1 ))
   (( segid B    and resid 32   and name HA  ))
 ASSI { 1168}
   (( segid A    and resid 35   and name HG  ))
   (( segid A    and resid 32   and name HA  ))
      2.900     1.100     1.100 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      1.889 ppm2      3.995 CV     1
 OR { 1168}
   (( segid B    and resid 35   and name HG  ))
   (( segid B    and resid 32   and name HA  ))
 ASSI { 1173}
   (  segid B    and resid 48   and name HB% )
   (( segid B    and resid 49   and name HA  ))
      3.500     1.500     1.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.31254E-02 ppm1      1.113 ppm2      4.005 CV     1
 OR { 1173}
   (  segid A    and resid 48   and name HB% )
   (( segid A    and resid 49   and name HA  ))
 ASSI { 1174}
   (( segid B    and resid 39   and name HB2 ))
   (( segid B    and resid 39   and name HA  ))
      2.600     0.900     0.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.57354E-02 ppm1      2.252 ppm2      4.007 CV     1
 OR { 1174}
   (( segid A    and resid 39   and name HB2 ))
   (( segid A    and resid 39   and name HA  ))
 ASSI { 1175}
   (  segid A    and resid 51   and name HG2%)
   (( segid A    and resid 67   and name HA2 ))
      3.300     1.400     1.400 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.21078E-02 ppm1      1.174 ppm2      4.007 CV     1
 OR { 1175}
   (  segid B    and resid 51   and name HG2%)
   (( segid B    and resid 67   and name HA2 ))
 ASSI { 1177}
   (  segid B    and resid 72   and name HG1%)
   (( segid B    and resid 73   and name HA  ))
      3.000     1.100     1.100 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.41153E-02 ppm1      0.802 ppm2      4.008 CV     1
 OR { 1177}
   (  segid A    and resid 72   and name HG1%)
   (( segid A    and resid 73   and name HA  ))
 ASSI { 1178}
   (  segid A    and resid 72   and name HG2%)
   (( segid A    and resid 73   and name HA  ))
      3.500     1.500     1.500 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.41168E-02 ppm1      0.744 ppm2      4.008 CV     1
 OR { 1178}
   (  segid B    and resid 72   and name HG2%)
   (( segid B    and resid 73   and name HA  ))
 ASSI { 1180}
   (( segid A    and resid 39   and name HB1 ))
   (( segid A    and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.59795E-02 ppm1      2.140 ppm2      4.014 CV     1
 OR { 1180}
   (( segid B    and resid 39   and name HB1 ))
   (( segid B    and resid 39   and name HA  ))
 ASSI { 1182}
   (( segid B    and resid 38   and name HB  ))
   (( segid B    and resid 35   and name HA  ))
      2.900     1.000     1.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.25492E-02 ppm1      2.369 ppm2      4.016 CV     1
 OR { 1182}
   (( segid A    and resid 38   and name HB  ))
   (( segid A    and resid 35   and name HA  ))
 ASSI { 1187}
   (( segid B    and resid 111  and name HB1 ))
   (( segid B    and resid 111  and name HB2 ))
      2.500     2.500     3.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.19318E-02 ppm1      3.843 ppm2      4.022 CV     1
 OR { 1187}
   (( segid A    and resid 111  and name HB1 ))
   (( segid A    and resid 111  and name HB2 ))
 ASSI { 1190}
   (( segid A    and resid 37   and name HA  ))
   (( segid A    and resid 40   and name HB  ))
      3.300     1.300     1.300 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.14508E-02 ppm1      2.996 ppm2      4.025 CV     1
 OR { 1190}
   (( segid B    and resid 37   and name HA  ))
   (( segid B    and resid 40   and name HB  ))
 ASSI { 1191}
   (( segid A    and resid 37   and name HB  ))
   (( segid A    and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.15654E-02 ppm1      1.835 ppm2      4.025 CV     1
 OR { 1191}
   (( segid B    and resid 37   and name HB  ))
   (( segid B    and resid 34   and name HA  ))
 ASSI { 1192}
   (  segid B    and resid 43   and name HB% )
   (( segid B    and resid 40   and name HA  ))
      2.500     0.800     0.800 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.79815E-02 ppm1      1.573 ppm2      4.026 CV     1
 OR { 1192}
   (  segid A    and resid 43   and name HB% )
   (( segid A    and resid 40   and name HA  ))
 ASSI { 1193}
   (  segid A    and resid 40   and name HG2%)
   (( segid A    and resid 40   and name HB  ))
      1.900     0.500     0.500 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.27266E-01 ppm1      1.293 ppm2      4.027 CV     1
 OR { 1193}
   (  segid B    and resid 40   and name HG2%)
   (( segid B    and resid 40   and name HB  ))
 ASSI { 1196}
   (  segid A    and resid 37   and name HG2%)
   (( segid A    and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.24303E-02 ppm1     -0.671 ppm2      4.028 CV     1
 OR { 1196}
   (  segid B    and resid 37   and name HG2%)
   (( segid B    and resid 34   and name HA  ))
 ASSI { 1197}
   (( segid A    and resid 96   and name HG11))
   (( segid A    and resid 67   and name HA2 ))
      2.900     2.900     3.100 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.41166E-02 ppm1      0.698 ppm2      4.029 CV     1
 OR { 1197}
   (( segid B    and resid 96   and name HG11))
   (( segid B    and resid 67   and name HA2 ))
 ASSI { 1206}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 90   and name HA  ))
      2.200     0.600     0.600 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.72600E-02 ppm1      0.929 ppm2      4.052 CV     1
 OR { 1206}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 90   and name HA  ))
 ASSI { 1209}
   (  segid B    and resid 35   and name HD1%)
   (( segid B    and resid 34   and name HA  ))
      2.100     2.100     3.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.61125E-02 ppm1      1.003 ppm2      4.056 CV     1
 OR { 1209}
   (  segid A    and resid 35   and name HD1%)
   (( segid A    and resid 34   and name HA  ))
 ASSI { 1210}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 90   and name HA  ))
      2.800     1.000     1.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.43434E-02 ppm1      0.651 ppm2      4.057 CV     1
 OR { 1210}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 90   and name HA  ))
 ASSI { 1213}
   (( segid A    and resid 90   and name HG11))
   (( segid A    and resid 90   and name HA  ))
      3.200     1.300     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.17679E-02 ppm1      1.047 ppm2      4.073 CV     1
 OR { 1213}
   (( segid B    and resid 90   and name HG11))
   (( segid B    and resid 90   and name HA  ))
 ASSI { 1214}
   (  segid B    and resid 29   and name HD1%)
   (( segid B    and resid 86   and name HB2 ))
      3.300     1.400     1.400 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.21379E-02 ppm1      0.882 ppm2      4.075 CV     1
 OR { 1214}
   (  segid A    and resid 29   and name HD1%)
   (( segid A    and resid 86   and name HB2 ))
 ASSI { 1215}
   (  segid A    and resid 51   and name HG2%)
   (( segid A    and resid 103  and name HA1 ))
      3.600     1.600     1.600 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.21929E-02 ppm1      1.179 ppm2      4.076 CV     1
 OR { 1215}
   (  segid B    and resid 51   and name HG2%)
   (( segid B    and resid 103  and name HA1 ))
 ASSI { 1216}
   (( segid B    and resid 61   and name HB1 ))
   (( segid B    and resid 86   and name HB2 ))
      3.700     1.700     1.700 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.15094E-02 ppm1      2.906 ppm2      4.076 CV     1
 OR { 1216}
   (( segid A    and resid 61   and name HB2 ))
   (( segid A    and resid 86   and name HB2 ))
 OR { 1216}
   (( segid B    and resid 61   and name HB2 ))
   (( segid B    and resid 86   and name HB2 ))
 OR { 1216}
   (( segid A    and resid 61   and name HB1 ))
   (( segid A    and resid 86   and name HB2 ))
 ASSI { 1220}
   (( segid B    and resid 80   and name HG1 ))
   (( segid B    and resid 77   and name HA  ))
      3.300     1.300     1.300 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.18396E-02 ppm1      2.052 ppm2      4.111 CV     1
 OR { 1220}
   (( segid A    and resid 80   and name HG1 ))
   (( segid A    and resid 77   and name HA  ))
 ASSI { 1223}
   (  segid B    and resid 73   and name HB% )
   (( segid B    and resid 69   and name HA  ))
      2.200     2.200     3.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.43332E-02 ppm1      1.489 ppm2      4.116 CV     1
 OR { 1223}
   (  segid A    and resid 73   and name HB% )
   (( segid A    and resid 69   and name HA  ))
 ASSI { 1224}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 69   and name HA  ))
      3.000     1.100     1.100 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.45622E-02 ppm1      1.973 ppm2      4.119 CV     1
 OR { 1224}
   (( segid B    and resid 69   and name HG1 ))
   (( segid B    and resid 69   and name HA  ))
 OR { 1224}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 69   and name HA  ))
 OR { 1224}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 69   and name HA  ))
 ASSI { 1225}
   (  segid A    and resid 72   and name HG1%)
   (( segid A    and resid 69   and name HA  ))
      3.400     1.400     1.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.41287E-02 ppm1      0.800 ppm2      4.119 CV     1
 OR { 1225}
   (  segid B    and resid 72   and name HG1%)
   (( segid B    and resid 69   and name HA  ))
 ASSI { 1233}
   (  segid A    and resid 72   and name HG2%)
   (( segid A    and resid 69   and name HA  ))
      2.400     0.700     0.700 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.57473E-02 ppm1      0.740 ppm2      4.121 CV     1
 OR { 1233}
   (  segid B    and resid 72   and name HG2%)
   (( segid B    and resid 69   and name HA  ))
 ASSI { 1238}
   (( segid B    and resid 49   and name HG2 ))
   (( segid B    and resid 47   and name HA  ))
      3.100     1.200     1.200 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.20971E-02 ppm1      2.339 ppm2      4.137 CV     1
 OR { 1238}
   (( segid A    and resid 49   and name HG1 ))
   (( segid A    and resid 47   and name HA  ))
 OR { 1238}
   (( segid A    and resid 49   and name HG2 ))
   (( segid A    and resid 47   and name HA  ))
 OR { 1238}
   (( segid B    and resid 49   and name HG1 ))
   (( segid B    and resid 47   and name HA  ))
 ASSI { 1243}
   (  segid A    and resid 48   and name HB% )
   (( segid A    and resid 45   and name HA  ))
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.65145E-02 ppm1      1.128 ppm2      4.145 CV     1
 OR { 1243}
   (  segid B    and resid 48   and name HB% )
   (( segid B    and resid 45   and name HA  ))
 ASSI { 1250}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 87   and name HA  ))
      3.100     1.200     1.200 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.22217E-02 ppm1      0.139 ppm2      4.192 CV     1
 OR { 1250}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 87   and name HA  ))
 ASSI { 1257}
   (( segid B    and resid 84   and name HD1 ))
   (( segid B    and resid 84   and name HA  ))
      2.900     1.000     1.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.73144E-02 ppm1      3.277 ppm2      4.215 CV     1
 OR { 1257}
   (( segid A    and resid 84   and name HD1 ))
   (( segid A    and resid 84   and name HA  ))
 OR { 1257}
   (( segid B    and resid 84   and name HD2 ))
   (( segid B    and resid 84   and name HA  ))
 OR { 1257}
   (( segid A    and resid 84   and name HD2 ))
   (( segid A    and resid 84   and name HA  ))
 ASSI { 1258}
   (  segid A    and resid 46   and name HB% )
   (( segid A    and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.74825E-02 ppm1      1.635 ppm2      4.243 CV     1
 OR { 1258}
   (  segid B    and resid 46   and name HB% )
   (( segid B    and resid 43   and name HA  ))
 ASSI { 1262}
   (  segid A    and resid 9    and name HG1%)
   (( segid A    and resid 9    and name HA  ))
      2.200     0.600     0.600 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.14394E-01 ppm1      1.010 ppm2      4.259 CV     1
 OR { 1262}
   (( segid B    and resid 9    and name HG11))
   (( segid B    and resid 9    and name HA  ))
 OR { 1262}
   (( segid B    and resid 9    and name HG13))
   (( segid B    and resid 9    and name HA  ))
 ASSI { 1263}
   (  segid B    and resid 43   and name HB% )
   (( segid B    and resid 43   and name HA  ))
      1.900     0.400     0.400 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.38436E-01 ppm1      1.573 ppm2      4.264 CV     1
 OR { 1263}
   (  segid A    and resid 43   and name HB% )
   (( segid A    and resid 43   and name HA  ))
 ASSI { 1265}
   (( segid A    and resid 10   and name HA  ))
   (( segid A    and resid 10   and name HB  ))
      1.800     0.400     0.400 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.41954E-01 ppm1      4.368 ppm2      4.286 CV     1
 OR { 1265}
   (( segid B    and resid 10   and name HA  ))
   (( segid B    and resid 10   and name HB  ))
 ASSI { 1266}
   (( segid B    and resid 103  and name HA1 ))
   (( segid B    and resid 103  and name HA2 ))
      1.900     0.400     0.400 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.11055E-01 ppm1      4.066 ppm2      4.287 CV     1
 OR { 1266}
   (( segid A    and resid 103  and name HA1 ))
   (( segid A    and resid 103  and name HA2 ))
 ASSI { 1269}
   (( segid B    and resid 117  and name HB1 ))
   (( segid B    and resid 117  and name HA  ))
      2.600     0.800     0.800 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.57091E-02 ppm1      3.931 ppm2      4.306 CV     1
 OR { 1269}
   (( segid A    and resid 117  and name HB1 ))
   (( segid A    and resid 117  and name HA  ))
 OR { 1269}
   (( segid A    and resid 117  and name HB2 ))
   (( segid A    and resid 117  and name HA  ))
 OR { 1269}
   (( segid B    and resid 117  and name HB2 ))
   (( segid B    and resid 117  and name HA  ))
 ASSI { 1279}
   (  segid A    and resid 71   and name HB% )
   (( segid A    and resid 70   and name HA  ))
      3.300     1.300     1.300 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.64685E-02 ppm1      1.762 ppm2      4.333 CV     1
 OR { 1279}
   (  segid B    and resid 71   and name HB% )
   (( segid B    and resid 70   and name HA  ))
 ASSI { 1282}
   (  segid A    and resid 76   and name HE% )
   (( segid A    and resid 76   and name HA  ))
      2.600     0.900     0.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.41674E-02 ppm1      1.355 ppm2      4.342 CV     1
 OR { 1282}
   (  segid B    and resid 76   and name HE% )
   (( segid B    and resid 76   and name HA  ))
 ASSI { 1283}
   (( segid A    and resid 12   and name HA  ))
   (( segid A    and resid 12   and name HB  ))
      1.800     0.400     0.400 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.41027E-01 ppm1      4.449 ppm2      4.344 CV     1
 OR { 1283}
   (( segid B    and resid 12   and name HA  ))
   (( segid B    and resid 12   and name HB  ))
 ASSI { 1284}
   (( segid B    and resid 49   and name HG2 ))
   (( segid B    and resid 48   and name HA  ))
      3.000     1.100     1.100 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.34052E-02 ppm1      2.335 ppm2      4.345 CV     1
 OR { 1284}
   (( segid A    and resid 49   and name HG1 ))
   (( segid A    and resid 48   and name HA  ))
 OR { 1284}
   (( segid B    and resid 49   and name HG1 ))
   (( segid B    and resid 48   and name HA  ))
 OR { 1284}
   (( segid A    and resid 49   and name HG2 ))
   (( segid A    and resid 48   and name HA  ))
 ASSI { 1286}
   (  segid A    and resid 12   and name HG2%)
   (( segid A    and resid 12   and name HB  ))
      1.800     0.400     0.400 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.52544E-01 ppm1      1.287 ppm2      4.348 CV     1
 OR { 1286}
   (  segid B    and resid 12   and name HG2%)
   (( segid B    and resid 12   and name HB  ))
 ASSI { 1288}
   (  segid A    and resid 7    and name HB% )
   (( segid A    and resid 7    and name HA  ))
      1.800     0.400     0.400 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.51595E-01 ppm1      1.441 ppm2      4.353 CV     1
 OR { 1288}
   (( segid B    and resid 7    and name HB3 ))
   (( segid B    and resid 7    and name HA  ))
 OR { 1288}
   (( segid B    and resid 7    and name HB2 ))
   (( segid B    and resid 7    and name HA  ))
 ASSI { 1290}
   (  segid A    and resid 29   and name HD1%)
   (( segid A    and resid 29   and name HA  ))
      3.600     1.600     1.600 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.27269E-02 ppm1      0.892 ppm2      4.356 CV     1
 OR { 1290}
   (  segid B    and resid 29   and name HD1%)
   (( segid B    and resid 29   and name HA  ))
 ASSI { 1293}
   (  segid B    and resid 79   and name HD1%)
   (( segid B    and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.40940E-02 ppm1      0.168 ppm2      4.362 CV     1
 OR { 1293}
   (  segid A    and resid 79   and name HD1%)
   (( segid A    and resid 76   and name HA  ))
 ASSI { 1296}
   (  segid A    and resid 5    and name HD1%)
   (( segid A    and resid 5    and name HA  ))
      1.900     0.400     0.400 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.30545E-01 ppm1      0.907 ppm2      4.374 CV     1
 OR { 1296}
   (( segid B    and resid 5    and name HD12))
   (( segid B    and resid 5    and name HA  ))
 OR { 1296}
   (( segid B    and resid 5    and name HD13))
   (( segid B    and resid 5    and name HA  ))
 ASSI { 1301}
   (  segid B    and resid 30   and name HG2%)
   (( segid B    and resid 29   and name HA  ))
      3.500     1.500     1.500 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.22315E-02 ppm1      1.468 ppm2      4.383 CV     1
 OR { 1301}
   (  segid A    and resid 30   and name HG2%)
   (( segid A    and resid 29   and name HA  ))
 ASSI { 1302}
   (( segid B    and resid 114  and name HB1 ))
   (( segid B    and resid 115  and name HA  ))
      3.700     1.800     1.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.15972E-02 ppm1      2.590 ppm2      4.398 CV     1
 OR { 1302}
   (( segid A    and resid 114  and name HB1 ))
   (( segid A    and resid 115  and name HA  ))
 ASSI { 1303}
   (( segid B    and resid 29   and name HB2 ))
   (( segid B    and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.25838E-02 ppm1      1.943 ppm2      4.398 CV     1
 OR { 1303}
   (( segid A    and resid 29   and name HB2 ))
   (( segid A    and resid 29   and name HA  ))
 ASSI { 1304}
   (( segid A    and resid 98   and name HD2 ))
   (( segid A    and resid 98   and name HA  ))
      3.200     1.300     1.300 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.27761E-02 ppm1      1.677 ppm2      4.401 CV     1
 OR { 1304}
   (( segid B    and resid 98   and name HD2 ))
   (( segid B    and resid 98   and name HA  ))
 OR { 1304}
   (( segid B    and resid 98   and name HD1 ))
   (( segid B    and resid 98   and name HA  ))
 OR { 1304}
   (( segid A    and resid 98   and name HD1 ))
   (( segid A    and resid 98   and name HA  ))
 ASSI { 1307}
   (( segid A    and resid 98   and name HB2 ))
   (( segid A    and resid 98   and name HA  ))
      2.100     0.600     0.600 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.86887E-02 ppm1      1.793 ppm2      4.404 CV     1
 OR { 1307}
   (( segid B    and resid 98   and name HB2 ))
   (( segid B    and resid 98   and name HA  ))
 ASSI { 1311}
   (( segid A    and resid 98   and name HE1 ))
   (( segid A    and resid 98   and name HA  ))
      3.500     1.500     1.500 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.24183E-02 ppm1      3.009 ppm2      4.412 CV     1
 OR { 1311}
   (( segid B    and resid 98   and name HE1 ))
   (( segid B    and resid 98   and name HA  ))
 OR { 1311}
   (( segid A    and resid 98   and name HE2 ))
   (( segid A    and resid 98   and name HA  ))
 OR { 1311}
   (( segid B    and resid 98   and name HE2 ))
   (( segid B    and resid 98   and name HA  ))
 ASSI { 1313}
   (  segid A    and resid 16   and name HD2%)
   (( segid A    and resid 97   and name HA  ))
      2.300     0.700     0.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.83895E-02 ppm1      0.792 ppm2      4.414 CV     1
 OR { 1313}
   (  segid B    and resid 16   and name HD2%)
   (( segid B    and resid 97   and name HA  ))
 ASSI { 1314}
   (  segid B    and resid 70   and name HB% )
   (( segid B    and resid 71   and name HA  ))
      2.800     1.000     1.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.78601E-02 ppm1      1.637 ppm2      4.419 CV     1
 OR { 1314}
   (  segid A    and resid 70   and name HB% )
   (( segid A    and resid 71   and name HA  ))
 ASSI { 1315}
   (( segid A    and resid 39   and name HB2 ))
   (( segid A    and resid 36   and name HA  ))
      2.800     1.000     1.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.27578E-02 ppm1      2.248 ppm2      4.424 CV     1
 OR { 1315}
   (( segid B    and resid 39   and name HB2 ))
   (( segid B    and resid 36   and name HA  ))
 ASSI { 1316}
   (( segid B    and resid 39   and name HA  ))
   (( segid B    and resid 36   and name HA  ))
      3.900     1.900     1.900 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.17152E-02 ppm1      4.013 ppm2      4.427 CV     1
 OR { 1316}
   (( segid A    and resid 39   and name HA  ))
   (( segid A    and resid 36   and name HA  ))
 ASSI { 1318}
   (( segid B    and resid 39   and name HB1 ))
   (( segid B    and resid 36   and name HA  ))
      3.200     1.300     1.300 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.38427E-02 ppm1      2.139 ppm2      4.432 CV     1
 OR { 1318}
   (( segid A    and resid 39   and name HB1 ))
   (( segid A    and resid 36   and name HA  ))
 ASSI { 1324}
   (( segid B    and resid 81   and name HB2 ))
   (( segid B    and resid 82   and name HA  ))
      2.600     2.600     3.400 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.10430E-01 ppm1      1.978 ppm2      4.468 CV     1
 OR { 1324}
   (( segid A    and resid 81   and name HB2 ))
   (( segid A    and resid 82   and name HA  ))
 ASSI { 1326}
   (( segid A    and resid 91   and name HG  ))
   (( segid A    and resid 91   and name HA  ))
      2.400     0.700     0.700 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.76207E-02 ppm1      1.710 ppm2      4.470 CV     1
 OR { 1326}
   (( segid B    and resid 91   and name HG  ))
   (( segid B    and resid 91   and name HA  ))
 ASSI { 1327}
   (( segid A    and resid 27   and name HG1 ))
   (( segid A    and resid 27   and name HA  ))
      3.500     1.500     1.500 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.40879E-02 ppm1      2.110 ppm2      4.471 CV     1
 OR { 1327}
   (( segid B    and resid 27   and name HG1 ))
   (( segid B    and resid 27   and name HA  ))
 ASSI { 1333}
   (( segid B    and resid 81   and name HB1 ))
   (( segid B    and resid 82   and name HA  ))
      2.700     2.700     3.300 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.67820E-02 ppm1      1.829 ppm2      4.475 CV     1
 OR { 1333}
   (( segid A    and resid 81   and name HB1 ))
   (( segid A    and resid 82   and name HA  ))
 ASSI { 1340}
   (( segid B    and resid 124  and name HD1 ))
   (( segid B    and resid 123  and name HA  ))
      2.500     0.800     0.800 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.75220E-02 ppm1      3.234 ppm2      4.508 CV     1
 OR { 1340}
   (( segid A    and resid 124  and name HD1 ))
   (( segid A    and resid 123  and name HA  ))
 OR { 1340}
   (( segid A    and resid 124  and name HD2 ))
   (( segid A    and resid 123  and name HA  ))
 OR { 1340}
   (( segid B    and resid 124  and name HD2 ))
   (( segid B    and resid 123  and name HA  ))
 ASSI { 1344}
   (( segid B    and resid 33   and name HB2 ))
   (( segid B    and resid 33   and name HA  ))
      3.000     1.100     1.100 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.20408E-02 ppm1      3.201 ppm2      4.564 CV     1
 OR { 1344}
   (( segid A    and resid 33   and name HB2 ))
   (( segid A    and resid 33   and name HA  ))
 ASSI { 1345}
   (  segid B    and resid 72   and name HG2%)
   (( segid B    and resid 67   and name HA1 ))
      2.400     0.700     0.700 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.38742E-02 ppm1      0.740 ppm2      4.566 CV     1
 OR { 1345}
   (  segid A    and resid 72   and name HG2%)
   (( segid A    and resid 67   and name HA1 ))
 ASSI { 1346}
   (( segid B    and resid 36   and name HB1 ))
   (( segid B    and resid 33   and name HA  ))
      3.500     1.500     1.500 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.11240E-02 ppm1      2.754 ppm2      4.569 CV     1
 OR { 1346}
   (( segid A    and resid 36   and name HB1 ))
   (( segid A    and resid 33   and name HA  ))
 ASSI { 1347}
   (( segid A    and resid 36   and name HB2 ))
   (( segid A    and resid 33   and name HA  ))
      3.500     1.500     1.500 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.11057E-02 ppm1      3.027 ppm2      4.572 CV     1
 OR { 1347}
   (( segid B    and resid 36   and name HB2 ))
   (( segid B    and resid 33   and name HA  ))
 ASSI { 1348}
   (( segid B    and resid 67   and name HA2 ))
   (( segid B    and resid 67   and name HA1 ))
      2.000     0.500     0.500 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.51427E-02 ppm1      4.008 ppm2      4.584 CV     1
 OR { 1348}
   (( segid A    and resid 67   and name HA2 ))
   (( segid A    and resid 67   and name HA1 ))
 ASSI { 1350}
   (( segid B    and resid 15   and name HB1 ))
   (( segid B    and resid 15   and name HA  ))
      2.300     0.600     0.600 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.11405E-01 ppm1      2.634 ppm2      4.586 CV     1
 OR { 1350}
   (( segid A    and resid 15   and name HB1 ))
   (( segid A    and resid 15   and name HA  ))
 ASSI { 1351}
   (  segid A    and resid 50   and name HD2%)
   (( segid A    and resid 67   and name HA1 ))
      2.500     0.800     0.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.68418E-02 ppm1      0.925 ppm2      4.586 CV     1
 OR { 1351}
   (  segid B    and resid 50   and name HD2%)
   (( segid B    and resid 67   and name HA1 ))
 ASSI { 1354}
   (( segid B    and resid 32   and name HD1 ))
   (( segid B    and resid 33   and name HA  ))
      3.100     3.100     2.900 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.33066E-02 ppm1      3.259 ppm2      4.605 CV     1
 OR { 1354}
   (( segid A    and resid 32   and name HD1 ))
   (( segid A    and resid 33   and name HA  ))
 OR { 1354}
   (( segid A    and resid 32   and name HD2 ))
   (( segid A    and resid 33   and name HA  ))
 OR { 1354}
   (( segid B    and resid 32   and name HD2 ))
   (( segid B    and resid 33   and name HA  ))
 ASSI { 1355}
   (( segid B    and resid 27   and name HG2 ))
   (( segid B    and resid 26   and name HA  ))
      4.000     2.000     2.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.32501E-02 ppm1      2.163 ppm2      4.606 CV     1
 OR { 1355}
   (( segid A    and resid 27   and name HG2 ))
   (( segid A    and resid 26   and name HA  ))
 ASSI { 1356}
   (  segid A    and resid 92   and name HB% )
   (( segid A    and resid 92   and name HA  ))
      2.000     0.500     0.500 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.18387E-01 ppm1      1.429 ppm2      4.606 CV     1
 OR { 1356}
   (  segid B    and resid 92   and name HB% )
   (( segid B    and resid 92   and name HA  ))
 ASSI { 1358}
   (( segid A    and resid 27   and name HB2 ))
   (( segid A    and resid 26   and name HA  ))
      4.400     2.400     1.600 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.20681E-02 ppm1      2.427 ppm2      4.610 CV     1
 OR { 1358}
   (( segid B    and resid 27   and name HB2 ))
   (( segid B    and resid 26   and name HA  ))
 ASSI { 1360}
   (  segid A    and resid 102  and name HB% )
   (( segid A    and resid 102  and name HA  ))
      2.200     0.600     0.600 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.13652E-01 ppm1      1.443 ppm2      4.611 CV     1
 OR { 1360}
   (  segid B    and resid 102  and name HB% )
   (( segid B    and resid 102  and name HA  ))
 ASSI { 1362}
   (  segid B    and resid 26   and name HB% )
   (( segid B    and resid 26   and name HA  ))
      1.900     0.500     0.500 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.23331E-01 ppm1      1.539 ppm2      4.612 CV     1
 OR { 1362}
   (  segid A    and resid 26   and name HB% )
   (( segid A    and resid 26   and name HA  ))
 ASSI { 1364}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 89   and name HA  ))
      3.400     1.500     1.500 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.15824E-02 ppm1      0.648 ppm2      4.613 CV     1
 OR { 1364}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 89   and name HA  ))
 ASSI { 1365}
   (  segid A    and resid 11   and name HE% )
   (( segid A    and resid 11   and name HA  ))
      3.200     1.300     1.300 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.31997E-02 ppm1      2.137 ppm2      4.613 CV     1
 OR { 1365}
   (  segid B    and resid 11   and name HE% )
   (( segid B    and resid 11   and name HA  ))
 ASSI { 1366}
   (  segid A    and resid 51   and name HG2%)
   (( segid A    and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.22388E-02 ppm1      1.181 ppm2      4.614 CV     1
 OR { 1366}
   (  segid B    and resid 51   and name HG2%)
   (( segid B    and resid 102  and name HA  ))
 ASSI { 1367}
   (( segid B    and resid 11   and name HB2 ))
   (( segid B    and resid 11   and name HA  ))
      2.400     0.700     0.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.88879E-02 ppm1      2.190 ppm2      4.615 CV     1
 OR { 1367}
   (( segid A    and resid 11   and name HB2 ))
   (( segid A    and resid 11   and name HA  ))
 ASSI { 1368}
   (( segid B    and resid 83   and name HG2 ))
   (( segid B    and resid 83   and name HA  ))
      2.900     1.100     1.100 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.38002E-02 ppm1      1.912 ppm2      4.616 CV     1
 OR { 1368}
   (( segid A    and resid 83   and name HG2 ))
   (( segid A    and resid 83   and name HA  ))
 OR { 1368}
   (( segid B    and resid 83   and name HG1 ))
   (( segid B    and resid 83   and name HA  ))
 OR { 1368}
   (( segid A    and resid 83   and name HG1 ))
   (( segid A    and resid 83   and name HA  ))
 ASSI { 1371}
   (( segid A    and resid 90   and name HG12))
   (( segid A    and resid 89   and name HA  ))
      3.500     1.500     1.500 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.16478E-02 ppm1      1.473 ppm2      4.618 CV     1
 OR { 1371}
   (( segid B    and resid 90   and name HG12))
   (( segid B    and resid 89   and name HA  ))
 ASSI { 1372}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 89   and name HA  ))
      3.800     1.800     1.800 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.25854E-02 ppm1      0.930 ppm2      4.618 CV     1
 OR { 1372}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 89   and name HA  ))
 ASSI { 1373}
   (( segid A    and resid 83   and name HB1 ))
   (( segid A    and resid 83   and name HA  ))
      2.400     0.700     0.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.52628E-02 ppm1      2.066 ppm2      4.631 CV     1
 OR { 1373}
   (( segid B    and resid 83   and name HB1 ))
   (( segid B    and resid 83   and name HA  ))
 ASSI { 1375}
   (( segid A    and resid 90   and name HB  ))
   (( segid A    and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.16644E-02 ppm1      1.905 ppm2      4.633 CV     1
 OR { 1375}
   (( segid B    and resid 90   and name HB  ))
   (( segid B    and resid 89   and name HA  ))
 ASSI { 1376}
   (( segid B    and resid 89   and name HB1 ))
   (( segid B    and resid 89   and name HA  ))
      2.800     1.000     1.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.38281E-02 ppm1      1.947 ppm2      4.636 CV     1
 OR { 1376}
   (( segid A    and resid 89   and name HB1 ))
   (( segid A    and resid 89   and name HA  ))
 ASSI { 1377}
   (( segid B    and resid 89   and name HB2 ))
   (( segid B    and resid 89   and name HA  ))
      2.700     0.900     0.900 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.42286E-02 ppm1      2.071 ppm2      4.637 CV     1
 OR { 1377}
   (( segid A    and resid 89   and name HB2 ))
   (( segid A    and resid 89   and name HA  ))
 ASSI { 1379}
   (( segid A    and resid 89   and name HG1 ))
   (( segid A    and resid 89   and name HA  ))
      2.800     1.000     1.000 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.36292E-02 ppm1      2.048 ppm2      4.639 CV     1
 OR { 1379}
   (( segid B    and resid 89   and name HG1 ))
   (( segid B    and resid 89   and name HA  ))
 ASSI { 1380}
   (( segid B    and resid 89   and name HG2 ))
   (( segid B    and resid 89   and name HA  ))
      2.800     1.000     1.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.51065E-02 ppm1      2.309 ppm2      4.641 CV     1
 OR { 1380}
   (( segid A    and resid 89   and name HG2 ))
   (( segid A    and resid 89   and name HA  ))
 ASSI { 1382}
   (  segid B    and resid 25   and name HB% )
   (( segid B    and resid 25   and name HA  ))
      2.400     0.700     0.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.72379E-02 ppm1      1.291 ppm2      4.665 CV     1
 OR { 1382}
   (  segid A    and resid 25   and name HB% )
   (( segid A    and resid 25   and name HA  ))
 ASSI { 1383}
   (( segid A    and resid 28   and name HB2 ))
   (( segid A    and resid 28   and name HA  ))
      2.400     0.700     0.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.86833E-02 ppm1      2.977 ppm2      4.674 CV     1
 OR { 1383}
   (( segid B    and resid 28   and name HB2 ))
   (( segid B    and resid 28   and name HA  ))
 ASSI { 1384}
   (( segid B    and resid 28   and name HB1 ))
   (( segid B    and resid 28   and name HA  ))
      2.500     0.800     0.800 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.84218E-02 ppm1      2.649 ppm2      4.676 CV     1
 OR { 1384}
   (( segid A    and resid 28   and name HB1 ))
   (( segid A    and resid 28   and name HA  ))
 ASSI { 1386}
   (  segid A    and resid 9    and name HG1%)
   (( segid A    and resid 8    and name HA  ))
      2.900     1.000     1.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.60461E-02 ppm1      1.013 ppm2      4.690 CV     1
 OR { 1386}
   (( segid B    and resid 9    and name HG13))
   (( segid B    and resid 8    and name HA  ))
 OR { 1386}
   (( segid B    and resid 9    and name HG11))
   (( segid B    and resid 8    and name HA  ))
 ASSI { 1387}
   (( segid A    and resid 8    and name HB2 ))
   (( segid A    and resid 8    and name HA  ))
      2.200     0.600     0.600 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.12565E-01 ppm1      2.795 ppm2      4.692 CV     1
 OR { 1387}
   (( segid B    and resid 8    and name HB2 ))
   (( segid B    and resid 8    and name HA  ))
 ASSI { 1388}
   (( segid B    and resid 8    and name HB1 ))
   (( segid B    and resid 8    and name HA  ))
      2.400     0.700     0.700 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.16805E-01 ppm1      2.698 ppm2      4.695 CV     1
 OR { 1388}
   (( segid A    and resid 8    and name HB1 ))
   (( segid A    and resid 8    and name HA  ))
 ASSI { 1389}
   (  segid A    and resid 7    and name HB% )
   (( segid A    and resid 8    and name HA  ))
      2.400     2.400     3.600 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.24253E-01 ppm1      1.446 ppm2      4.700 CV     1
 OR { 1389}
   (( segid B    and resid 7    and name HB1 ))
   (( segid B    and resid 8    and name HA  ))
 OR { 1389}
   (( segid B    and resid 7    and name HB3 ))
   (( segid B    and resid 8    and name HA  ))
 ASSI { 1396}
   (( segid B    and resid 87   and name HA  ))
   (( segid B    and resid 86   and name HA  ))
      3.200     1.300     1.300 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.24429E-02 ppm1      4.194 ppm2      4.780 CV     1
 OR { 1396}
   (( segid A    and resid 87   and name HA  ))
   (( segid A    and resid 86   and name HA  ))
 ASSI { 1403}
   (  segid A    and resid 60   and name HG1%)
   (( segid A    and resid 60   and name HA  ))
      2.600     0.800     0.800 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.61029E-02 ppm1      0.951 ppm2      4.828 CV     1
 OR { 1403}
   (  segid B    and resid 60   and name HG1%)
   (( segid B    and resid 60   and name HA  ))
 ASSI { 1404}
   (( segid A    and resid 51   and name HB  ))
   (( segid A    and resid 51   and name HA  ))
      2.800     1.000     1.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.20854E-02 ppm1      4.827 ppm2      4.837 CV     1
 OR { 1404}
   (( segid B    and resid 51   and name HB  ))
   (( segid B    and resid 51   and name HA  ))
 ASSI { 1419}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 95   and name HA  ))
      1.900     0.400     0.400 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.11243E-01 ppm1      0.956 ppm2      4.953 CV     1
 OR { 1419}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 95   and name HA  ))
 ASSI { 1420}
   (( segid B    and resid 501  and name H11'))
   (( segid B    and resid 501  and name H12'))
      2.500     2.500     3.500 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.18646E-02 ppm1      5.194 ppm2      5.024 CV     1
 OR { 1420}
   (( segid A    and resid 501  and name H11'))
   (( segid A    and resid 501  and name H12'))
 ASSI { 1422}
   (( segid A    and resid 501  and name H2' ))
   (( segid A    and resid 501  and name H12'))
      3.200     1.300     1.300 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.10358E-02 ppm1      4.503 ppm2      5.032 CV     1
 OR { 1422}
   (( segid B    and resid 501  and name H2' ))
   (( segid B    and resid 501  and name H12'))
 ASSI { 1424}
   (( segid B    and resid 22   and name HB1 ))
   (( segid B    and resid 23   and name HA  ))
      3.600     1.600     1.600 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.88520E-03 ppm1      1.636 ppm2      5.101 CV     1
 OR { 1424}
   (( segid A    and resid 22   and name HB1 ))
   (( segid A    and resid 23   and name HA  ))
 ASSI { 1425}
   (( segid B    and resid 87   and name HB1 ))
   (( segid B    and resid 23   and name HA  ))
      3.900     1.900     1.900 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.11514E-02 ppm1      2.784 ppm2      5.101 CV     1
 OR { 1425}
   (( segid A    and resid 87   and name HB1 ))
   (( segid A    and resid 23   and name HA  ))
 ASSI { 1428}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 23   and name HA  ))
      3.700     1.700     1.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.21069E-02 ppm1      0.130 ppm2      5.110 CV     1
 OR { 1428}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 23   and name HA  ))
 ASSI { 1433}
   (( segid A    and resid 88   and name HA  ))
   (( segid A    and resid 23   and name HA  ))
      3.600     1.600     1.600 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.14149E-02 ppm1      3.693 ppm2      5.122 CV     1
 OR { 1433}
   (( segid B    and resid 88   and name HA  ))
   (( segid B    and resid 23   and name HA  ))
 ASSI { 1435}
   (( segid A    and resid 69   and name HD2 ))
   (( segid A    and resid 68   and name HA  ))
      2.100     0.600     0.600 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.32835E-02 ppm1      3.415 ppm2      5.126 CV     1
 OR { 1435}
   (( segid B    and resid 69   and name HD2 ))
   (( segid B    and resid 68   and name HA  ))
 ASSI { 1438}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 68   and name HA  ))
      3.600     1.600     1.600 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.43625E-02 ppm1      0.959 ppm2      5.129 CV     1
 OR { 1438}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 68   and name HA  ))
 ASSI { 1445}
   (  segid B    and resid 71   and name HB% )
   (( segid B    and resid 68   and name HA  ))
      3.500     1.500     1.500 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.16266E-02 ppm1      1.761 ppm2      5.156 CV     1
 OR { 1445}
   (  segid A    and resid 71   and name HB% )
   (( segid A    and resid 68   and name HA  ))
 ASSI { 1451}
   (( segid B    and resid 94   and name HG1 ))
   (( segid B    and resid 17   and name HA  ))
      3.700     1.700     1.700 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.14528E-02 ppm1      2.285 ppm2      5.219 CV     1
 OR { 1451}
   (( segid A    and resid 94   and name HG1 ))
   (( segid A    and resid 17   and name HA  ))
 OR { 1451}
   (( segid B    and resid 94   and name HG2 ))
   (( segid B    and resid 17   and name HA  ))
 OR { 1451}
   (( segid A    and resid 94   and name HG2 ))
   (( segid A    and resid 17   and name HA  ))
 ASSI { 1458}
   (( segid B    and resid 95   and name HB1 ))
   (( segid B    and resid 17   and name HA  ))
      3.700     1.700     1.700 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.30715E-02 ppm1      3.958 ppm2      5.247 CV     1
 OR { 1458}
   (( segid A    and resid 95   and name HB1 ))
   (( segid A    and resid 17   and name HA  ))
 OR { 1458}
   (( segid A    and resid 95   and name HB2 ))
   (( segid A    and resid 17   and name HA  ))
 OR { 1458}
   (( segid B    and resid 95   and name HB2 ))
   (( segid B    and resid 17   and name HA  ))
 ASSI { 1459}
   (( segid B    and resid 93   and name HB1 ))
   (( segid B    and resid 19   and name HA  ))
      3.400     1.400     1.400 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.37278E-02 ppm1      2.055 ppm2      5.263 CV     1
 OR { 1459}
   (( segid A    and resid 93   and name HB1 ))
   (( segid A    and resid 19   and name HA  ))
 ASSI { 1460}
   (( segid A    and resid 93   and name HG2 ))
   (( segid A    and resid 19   and name HA  ))
      2.900     1.000     1.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.24916E-02 ppm1      2.237 ppm2      5.263 CV     1
 OR { 1460}
   (( segid B    and resid 93   and name HG2 ))
   (( segid B    and resid 19   and name HA  ))
 ASSI { 1461}
   (( segid A    and resid 64   and name HB2 ))
   (( segid A    and resid 54   and name HA  ))
      2.700     2.700     3.300 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.13941E-02 ppm1      2.974 ppm2      5.274 CV     1
 OR { 1461}
   (( segid B    and resid 64   and name HB1 ))
   (( segid B    and resid 54   and name HA  ))
 OR { 1461}
   (( segid A    and resid 64   and name HB1 ))
   (( segid A    and resid 54   and name HA  ))
 ASSI { 1478}
   (  segid B    and resid 65   and name HD2%)
   (( segid B    and resid 64   and name HA  ))
      3.000     1.100     1.100 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.24529E-02 ppm1      0.992 ppm2      5.414 CV     1
 OR { 1478}
   (  segid A    and resid 65   and name HD2%)
   (( segid A    and resid 64   and name HA  ))
 ASSI { 1479}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.20197E-02 ppm1      0.931 ppm2      5.431 CV     1
 OR { 1479}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 21   and name HA  ))
 ASSI { 1481}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 21   and name HA  ))
      2.500     2.500     3.500 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.22792E-02 ppm1      0.649 ppm2      5.474 CV     1
 OR { 1481}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 21   and name HA  ))
 ASSI { 1484}
   (( segid A    and resid 54   and name HA  ))
   (( segid A    and resid 63   and name HA  ))
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.11950E-02 ppm1      5.288 ppm2      5.505 CV     1
 OR { 1484}
   (( segid B    and resid 54   and name HA  ))
   (( segid B    and resid 63   and name HA  ))
 ASSI { 1491}
   (( segid A    and resid 62   and name HA  ))
   (( segid A    and resid 56   and name HA  ))
      2.900     2.900     3.100 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.10464E-02 ppm1      5.287 ppm2      5.532 CV     1
 OR { 1491}
   (( segid B    and resid 62   and name HA  ))
   (( segid B    and resid 56   and name HA  ))
 ASSI { 1494}
   (  segid B    and resid 65   and name HD1%)
   (( segid B    and resid 50   and name HA  ))
      2.900     2.900     3.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.79875E-02 ppm1      0.918 ppm2      5.595 CV     1
 OR { 1494}
   (  segid A    and resid 65   and name HD1%)
   (( segid A    and resid 50   and name HA  ))
 ASSI { 1500}
   (( segid A    and resid 23   and name HB2 ))
   (( segid A    and resid 22   and name HA  ))
      3.900     1.900     1.900 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      3.860 ppm2      5.722 CV     1
 OR { 1500}
   (( segid B    and resid 23   and name HB2 ))
   (( segid B    and resid 22   and name HA  ))
 ASSI { 1504}
   (  segid B    and resid 72   and name HG2%)
   (( segid B    and resid 66   and name HA  ))
      3.200     1.200     1.200 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.27867E-02 ppm1      0.744 ppm2      5.869 CV     1
 OR { 1504}
   (  segid A    and resid 72   and name HG2%)
   (( segid A    and resid 66   and name HA  ))
 ASSI { 1512}
   (  segid B    and resid 29   and name HD1%)
   (  segid B    and resid 56   and name HE% )
      3.200     3.200     2.800 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.22359E-02 ppm1      0.904 ppm2      6.382 CV     1
 OR { 1512}
   (  segid A    and resid 29   and name HD1%)
   (  segid A    and resid 56   and name HE% )
 ASSI { 1518}
   (  segid A    and resid 25   and name HB% )
   (  segid A    and resid 56   and name HD% )
      3.500     1.500     1.500 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.22878E-02 ppm1      1.289 ppm2      6.534 CV     1
 OR { 1518}
   (  segid B    and resid 25   and name HB% )
   (  segid B    and resid 56   and name HD% )
 ASSI { 1520}
   (  segid A    and resid 106  and name HE% )
   (  segid A    and resid 56   and name HD% )
      2.600     0.800     0.800 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1      2.065 ppm2      6.539 CV     1
 OR { 1520}
   (  segid B    and resid 106  and name HE% )
   (  segid B    and resid 56   and name HD% )
 ASSI { 1533}
   (( segid A    and resid 21   and name HB1 ))
   (  segid A    and resid 21   and name HE% )
      3.800     1.800     1.800 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.19361E-02 ppm1      2.450 ppm2      6.696 CV     1
 OR { 1533}
   (( segid B    and resid 21   and name HB1 ))
   (  segid B    and resid 21   and name HE% )
 ASSI { 1534}
   (  segid A    and resid 88   and name HG1%)
   (  segid A    and resid 21   and name HE% )
      3.700     1.700     1.700 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.34941E-02 ppm1      0.155 ppm2      6.698 CV     1
 OR { 1534}
   (  segid B    and resid 88   and name HG1%)
   (  segid B    and resid 21   and name HE% )
 ASSI { 1539}
   (  segid A    and resid 90   and name HD1%)
   (  segid A    and resid 21   and name HD% )
      3.200     1.300     1.300 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.20062E-02 ppm1      0.656 ppm2      6.725 CV     1
 OR { 1539}
   (  segid B    and resid 90   and name HD1%)
   (  segid B    and resid 21   and name HD% )
 ASSI { 1540}
   (( segid B    and resid 88   and name HA  ))
   (  segid B    and resid 21   and name HD% )
      3.100     1.200     1.200 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.10515E-02 ppm1      3.678 ppm2      6.727 CV     1
 OR { 1540}
   (( segid A    and resid 88   and name HA  ))
   (  segid A    and resid 21   and name HD% )
 ASSI { 1544}
   (  segid B    and resid 65   and name HD2%)
   (  segid B    and resid 21   and name HD% )
      2.900     1.100     1.100 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.35517E-02 ppm1      0.977 ppm2      6.739 CV     1
 OR { 1544}
   (  segid A    and resid 65   and name HD2%)
   (  segid A    and resid 21   and name HD% )
 ASSI { 1546}
   (( segid A    and resid 22   and name HD2 ))
   (  segid A    and resid 21   and name HD% )
      3.800     1.800     1.800 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.12516E-02 ppm1      3.229 ppm2      6.745 CV     1
 OR { 1546}
   (( segid B    and resid 22   and name HD1 ))
   (  segid B    and resid 21   and name HD% )
 OR { 1546}
   (( segid A    and resid 22   and name HD1 ))
   (  segid A    and resid 21   and name HD% )
 OR { 1546}
   (( segid B    and resid 22   and name HD2 ))
   (  segid B    and resid 21   and name HD% )
 ASSI { 1555}
   (  segid A    and resid 53   and name HB% )
   (( segid A    and resid 55   and name HZ  ))
      3.800     1.800     1.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.12247E-02 ppm1      0.639 ppm2      6.880 CV     1
 OR { 1555}
   (  segid B    and resid 53   and name HB% )
   (( segid B    and resid 55   and name HZ  ))
 ASSI { 1557}
   (  segid B    and resid 43   and name HB% )
   (( segid B    and resid 43   and name HN  ))
      2.300     0.600     0.600 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.11627E-01 ppm1      1.573 ppm2      6.908 CV     1
 OR { 1557}
   (  segid A    and resid 43   and name HB% )
   (( segid A    and resid 43   and name HN  ))
 ASSI { 1563}
   (( segid B    and resid 79   and name HB  ))
   (( segid B    and resid 81   and name HN  ))
      3.700     1.700     1.700 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.13116E-02 ppm1      1.489 ppm2      7.001 CV     1
 OR { 1563}
   (( segid A    and resid 79   and name HB  ))
   (( segid A    and resid 81   and name HN  ))
 ASSI { 1564}
   (( segid A    and resid 77   and name HA  ))
   (( segid A    and resid 81   and name HN  ))
      3.200     1.300     1.300 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.17390E-02 ppm1      4.110 ppm2      7.011 CV     1
 OR { 1564}
   (( segid B    and resid 77   and name HA  ))
   (( segid B    and resid 81   and name HN  ))
 ASSI { 1565}
   (( segid A    and resid 77   and name HB1 ))
   (( segid A    and resid 81   and name HN  ))
      3.200     3.200     2.800 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.32208E-02 ppm1      3.857 ppm2      7.017 CV     1
 OR { 1565}
   (( segid B    and resid 77   and name HB1 ))
   (( segid B    and resid 81   and name HN  ))
 OR { 1565}
   (( segid A    and resid 77   and name HB2 ))
   (( segid A    and resid 81   and name HN  ))
 OR { 1565}
   (( segid B    and resid 77   and name HB2 ))
   (( segid B    and resid 81   and name HN  ))
 ASSI { 1567}
   (( segid A    and resid 80   and name HG1 ))
   (( segid A    and resid 81   and name HN  ))
      4.000     2.000     2.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.18817E-02 ppm1      2.047 ppm2      7.032 CV     1
 OR { 1567}
   (( segid B    and resid 80   and name HG1 ))
   (( segid B    and resid 81   and name HN  ))
 ASSI { 1568}
   (( segid B    and resid 80   and name HG2 ))
   (( segid B    and resid 81   and name HN  ))
      3.700     1.700     1.700 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.18453E-02 ppm1      2.347 ppm2      7.036 CV     1
 OR { 1568}
   (( segid A    and resid 80   and name HG2 ))
   (( segid A    and resid 81   and name HN  ))
 ASSI { 1569}
   (( segid A    and resid 81   and name HD2 ))
   (( segid A    and resid 81   and name HN  ))
      3.000     1.200     1.200 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.48070E-02 ppm1      3.238 ppm2      7.038 CV     1
 OR { 1569}
   (( segid B    and resid 81   and name HD2 ))
   (( segid B    and resid 81   and name HN  ))
 OR { 1569}
   (( segid A    and resid 81   and name HD1 ))
   (( segid A    and resid 81   and name HN  ))
 OR { 1569}
   (( segid B    and resid 81   and name HD1 ))
   (( segid B    and resid 81   and name HN  ))
 ASSI { 1573}
   (( segid B    and resid 81   and name HA  ))
   (( segid B    and resid 81   and name HN  ))
      2.600     0.800     0.800 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.57515E-02 ppm1      4.516 ppm2      7.042 CV     1
 OR { 1573}
   (( segid A    and resid 81   and name HA  ))
   (( segid A    and resid 81   and name HN  ))
 ASSI { 1576}
   (( segid A    and resid 81   and name HB1 ))
   (( segid A    and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.40824E-02 ppm1      1.838 ppm2      7.045 CV     1
 OR { 1576}
   (( segid B    and resid 81   and name HB1 ))
   (( segid B    and resid 81   and name HN  ))
 ASSI { 1577}
   (  segid B    and resid 38   and name HG1%)
   (( segid B    and resid 42   and name HE21))
      3.500     3.500     2.500 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      1.200 ppm2      7.047 CV     1
 OR { 1577}
   (  segid A    and resid 38   and name HG1%)
   (( segid A    and resid 42   and name HE21))
 ASSI { 1582}
   (  segid B    and resid 43   and name HB% )
   (( segid B    and resid 42   and name HE21))
      2.900     1.100     1.100 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.62585E-02 ppm1      1.578 ppm2      7.064 CV     1
 OR { 1582}
   (  segid A    and resid 43   and name HB% )
   (( segid A    and resid 42   and name HE21))
 ASSI { 1586}
   (  segid A    and resid 29   and name HD1%)
   (( segid A    and resid 29   and name HN  ))
      3.400     1.400     1.400 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.32204E-02 ppm1      0.885 ppm2      7.116 CV     1
 OR { 1586}
   (  segid B    and resid 29   and name HD1%)
   (( segid B    and resid 29   and name HN  ))
 ASSI { 1589}
   (( segid A    and resid 47   and name HD1 ))
   (( segid A    and resid 44   and name HD2 ))
      2.300     2.300     3.700 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.40479E-02 ppm1      3.289 ppm2      7.123 CV     1
 OR { 1589}
   (( segid B    and resid 47   and name HD2 ))
   (( segid B    and resid 44   and name HD2 ))
 OR { 1589}
   (( segid A    and resid 47   and name HD2 ))
   (( segid A    and resid 44   and name HD2 ))
 OR { 1589}
   (( segid B    and resid 47   and name HD1 ))
   (( segid B    and resid 44   and name HD2 ))
 ASSI { 1603}
   (  segid B    and resid 79   and name HG2%)
   (( segid B    and resid 85   and name HE1 ))
      2.600     0.800     0.800 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.77195E-02 ppm1      0.110 ppm2      7.183 CV     1
 OR { 1603}
   (  segid A    and resid 79   and name HG2%)
   (( segid A    and resid 85   and name HE1 ))
 ASSI { 1607}
   (( segid A    and resid 48   and name HA  ))
   (( segid A    and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.14832E-02 ppm1      4.361 ppm2      7.186 CV     1
 OR { 1607}
   (( segid B    and resid 48   and name HA  ))
   (( segid B    and resid 47   and name HN  ))
 ASSI { 1612}
   (  segid A    and resid 53   and name HB% )
   (  segid A    and resid 55   and name HE% )
      3.000     1.100     1.100 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.25789E-02 ppm1      0.633 ppm2      7.219 CV     1
 OR { 1612}
   (  segid B    and resid 53   and name HB% )
   (  segid B    and resid 55   and name HE% )
 ASSI { 1614}
   (  segid B    and resid 26   and name HB% )
   (  segid B    and resid 61   and name HE% )
      3.600     1.600     1.600 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.25446E-02 ppm1      1.545 ppm2      7.252 CV     1
 OR { 1614}
   (  segid A    and resid 26   and name HB% )
   (  segid A    and resid 61   and name HE% )
 ASSI { 1617}
   (  segid A    and resid 106  and name HE% )
   (  segid A    and resid 61   and name HE% )
      2.300     0.700     0.700 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.37897E-02 ppm1      2.070 ppm2      7.260 CV     1
 OR { 1617}
   (  segid B    and resid 106  and name HE% )
   (  segid B    and resid 61   and name HE% )
 ASSI { 1623}
   (( segid B    and resid 82   and name HA  ))
   (( segid B    and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.42271E-02 ppm1      4.482 ppm2      7.349 CV     1
 OR { 1623}
   (( segid A    and resid 82   and name HA  ))
   (( segid A    and resid 82   and name HN  ))
 ASSI { 1624}
   (( segid A    and resid 79   and name HA  ))
   (( segid A    and resid 82   and name HN  ))
      3.100     1.200     1.200 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.18948E-02 ppm1      3.618 ppm2      7.352 CV     1
 OR { 1624}
   (( segid B    and resid 79   and name HA  ))
   (( segid B    and resid 82   and name HN  ))
 ASSI { 1625}
   (( segid B    and resid 80   and name HA  ))
   (( segid B    and resid 82   and name HN  ))
      3.200     1.300     1.300 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.14598E-02 ppm1      3.714 ppm2      7.352 CV     1
 OR { 1625}
   (( segid A    and resid 80   and name HA  ))
   (( segid A    and resid 82   and name HN  ))
 ASSI { 1636}
   (( segid B    and resid 98   and name HA  ))
   (( segid B    and resid 98   and name HN  ))
      2.400     0.700     0.700 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.33257E-02 ppm1      4.406 ppm2      7.383 CV     1
 OR { 1636}
   (( segid A    and resid 98   and name HA  ))
   (( segid A    and resid 98   and name HN  ))
 ASSI { 1638}
   (( segid B    and resid 68   and name HA  ))
   (( segid B    and resid 71   and name HN  ))
      3.400     1.500     1.500 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.15752E-02 ppm1      5.124 ppm2      7.401 CV     1
 OR { 1638}
   (( segid A    and resid 68   and name HA  ))
   (( segid A    and resid 71   and name HN  ))
 ASSI { 1639}
   (  segid B    and resid 72   and name HG2%)
   (( segid B    and resid 71   and name HN  ))
      3.200     1.300     1.300 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.44064E-02 ppm1      0.739 ppm2      7.403 CV     1
 OR { 1639}
   (  segid A    and resid 72   and name HG2%)
   (( segid A    and resid 71   and name HN  ))
 ASSI { 1641}
   (  segid A    and resid 70   and name HB% )
   (( segid A    and resid 68   and name HD2 ))
      1.800     1.800     4.200 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.16218E-01 ppm1      1.644 ppm2      7.406 CV     1
 OR { 1641}
   (  segid B    and resid 70   and name HB% )
   (( segid B    and resid 68   and name HD2 ))
 ASSI { 1644}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 68   and name HD2 ))
      3.800     1.800     1.800 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.14226E-02 ppm1      1.972 ppm2      7.413 CV     1
 OR { 1644}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 68   and name HD2 ))
 OR { 1644}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 68   and name HD2 ))
 OR { 1644}
   (( segid B    and resid 69   and name HG1 ))
   (( segid B    and resid 68   and name HD2 ))
 ASSI { 1647}
   (( segid B    and resid 68   and name HB2 ))
   (( segid B    and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.27475E-02 ppm1      3.385 ppm2      7.417 CV     1
 OR { 1647}
   (( segid A    and resid 68   and name HB2 ))
   (( segid A    and resid 68   and name HD2 ))
 ASSI { 1655}
   (( segid B    and resid 46   and name HA  ))
   (( segid B    and resid 49   and name HN  ))
      3.000     1.100     1.100 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.21139E-02 ppm1      4.334 ppm2      7.538 CV     1
 OR { 1655}
   (( segid A    and resid 46   and name HA  ))
   (( segid A    and resid 49   and name HN  ))
 ASSI { 1659}
   (( segid A    and resid 49   and name HG1 ))
   (( segid A    and resid 49   and name HN  ))
      2.400     0.700     0.700 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.11335E-01 ppm1      2.338 ppm2      7.540 CV     1
 OR { 1659}
   (( segid B    and resid 49   and name HG2 ))
   (( segid B    and resid 49   and name HN  ))
 OR { 1659}
   (( segid A    and resid 49   and name HG2 ))
   (( segid A    and resid 49   and name HN  ))
 OR { 1659}
   (( segid B    and resid 49   and name HG1 ))
   (( segid B    and resid 49   and name HN  ))
 ASSI { 1663}
   (  segid B    and resid 75   and name HG2%)
   (( segid B    and resid 75   and name HN  ))
      2.700     0.900     0.900 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.46118E-02 ppm1      0.898 ppm2      7.658 CV     1
 OR { 1663}
   (  segid A    and resid 75   and name HG2%)
   (( segid A    and resid 75   and name HN  ))
 ASSI { 1664}
   (( segid B    and resid 75   and name HB  ))
   (( segid B    and resid 75   and name HN  ))
      2.200     0.600     0.600 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.65403E-02 ppm1      2.040 ppm2      7.661 CV     1
 OR { 1664}
   (( segid A    and resid 75   and name HB  ))
   (( segid A    and resid 75   and name HN  ))
 ASSI { 1666}
   (( segid A    and resid 31   and name HB1 ))
   (( segid A    and resid 34   and name HN  ))
      3.400     1.400     1.400 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.15447E-02 ppm1      1.516 ppm2      7.662 CV     1
 OR { 1666}
   (( segid B    and resid 31   and name HB1 ))
   (( segid B    and resid 34   and name HN  ))
 ASSI { 1667}
   (( segid A    and resid 33   and name HB2 ))
   (( segid A    and resid 34   and name HN  ))
      3.400     1.500     1.500 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.23288E-02 ppm1      3.189 ppm2      7.662 CV     1
 OR { 1667}
   (( segid B    and resid 33   and name HB2 ))
   (( segid B    and resid 34   and name HN  ))
 ASSI { 1668}
   (  segid B    and resid 75   and name HG1%)
   (( segid B    and resid 75   and name HN  ))
      3.100     1.200     1.200 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.74586E-02 ppm1      0.972 ppm2      7.662 CV     1
 OR { 1668}
   (  segid A    and resid 75   and name HG1%)
   (( segid A    and resid 75   and name HN  ))
 ASSI { 1669}
   (( segid A    and resid 31   and name HB2 ))
   (( segid A    and resid 34   and name HN  ))
      3.700     1.700     1.700 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.13024E-02 ppm1      1.856 ppm2      7.665 CV     1
 OR { 1669}
   (( segid B    and resid 31   and name HB2 ))
   (( segid B    and resid 34   and name HN  ))
 ASSI { 1673}
   (( segid A    and resid 118  and name HB2 ))
   (( segid A    and resid 120  and name HN  ))
      3.400     1.500     1.500 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.27329E-02 ppm1      1.540 ppm2      7.704 CV     1
 OR { 1673}
   (( segid B    and resid 118  and name HB2 ))
   (( segid B    and resid 120  and name HN  ))
 OR { 1673}
   (( segid A    and resid 118  and name HB1 ))
   (( segid A    and resid 120  and name HN  ))
 OR { 1673}
   (( segid B    and resid 118  and name HB1 ))
   (( segid B    and resid 120  and name HN  ))
 ASSI { 1677}
   (  segid B    and resid 106  and name HE% )
   (  segid B    and resid 61   and name HD% )
      2.500     2.500     3.500 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.21466E-02 ppm1      2.069 ppm2      7.712 CV     1
 OR { 1677}
   (  segid A    and resid 106  and name HE% )
   (  segid A    and resid 61   and name HD% )
 ASSI { 1678}
   (( segid B    and resid 70   and name HA  ))
   (( segid B    and resid 74   and name HN  ))
      3.300     1.400     1.400 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.26250E-02 ppm1      4.329 ppm2      7.713 CV     1
 OR { 1678}
   (( segid A    and resid 70   and name HA  ))
   (( segid A    and resid 74   and name HN  ))
 ASSI { 1687}
   (  segid A    and resid 60   and name HG1%)
   (( segid A    and resid 60   and name HN  ))
      2.600     0.900     0.900 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.63895E-02 ppm1      0.953 ppm2      7.722 CV     1
 OR { 1687}
   (  segid B    and resid 60   and name HG1%)
   (( segid B    and resid 60   and name HN  ))
 ASSI { 1688}
   (( segid B    and resid 74   and name HA  ))
   (( segid B    and resid 74   and name HN  ))
      2.300     0.700     0.700 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.86976E-02 ppm1      4.007 ppm2      7.722 CV     1
 OR { 1688}
   (( segid A    and resid 74   and name HA  ))
   (( segid A    and resid 74   and name HN  ))
 ASSI { 1691}
   (  segid A    and resid 71   and name HB% )
   (( segid A    and resid 74   and name HN  ))
      3.500     1.500     1.500 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.25387E-02 ppm1      1.757 ppm2      7.722 CV     1
 OR { 1691}
   (  segid B    and resid 71   and name HB% )
   (( segid B    and resid 74   and name HN  ))
 ASSI { 1692}
   (  segid B    and resid 73   and name HB% )
   (( segid B    and resid 74   and name HN  ))
      2.000     0.500     0.500 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.18151E-01 ppm1      1.489 ppm2      7.722 CV     1
 OR { 1692}
   (  segid A    and resid 73   and name HB% )
   (( segid A    and resid 74   and name HN  ))
 ASSI { 1697}
   (( segid A    and resid 73   and name HA  ))
   (( segid A    and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.32981E-02 ppm1      4.016 ppm2      7.728 CV     1
 OR { 1697}
   (( segid B    and resid 73   and name HA  ))
   (( segid B    and resid 74   and name HN  ))
 ASSI { 1699}
   (( segid A    and resid 60   and name HB  ))
   (( segid A    and resid 60   and name HN  ))
      3.500     1.500     1.500 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.14505E-02 ppm1      2.153 ppm2      7.744 CV     1
 OR { 1699}
   (( segid B    and resid 60   and name HB  ))
   (( segid B    and resid 60   and name HN  ))
 ASSI { 1702}
   (( segid A    and resid 32   and name HA  ))
   (( segid A    and resid 33   and name HN  ))
      3.200     1.300     1.300 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.12846E-02 ppm1      3.972 ppm2      7.754 CV     1
 OR { 1702}
   (( segid B    and resid 32   and name HA  ))
   (( segid B    and resid 33   and name HN  ))
 ASSI { 1703}
   (( segid B    and resid 40   and name HB  ))
   (( segid B    and resid 41   and name HN  ))
      3.400     1.400     1.400 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.19028E-02 ppm1      4.035 ppm2      7.757 CV     1
 OR { 1703}
   (( segid A    and resid 40   and name HB  ))
   (( segid A    and resid 41   and name HN  ))
 ASSI { 1704}
   (( segid A    and resid 40   and name HA  ))
   (( segid A    and resid 41   and name HN  ))
      3.300     1.400     1.400 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.14569E-02 ppm1      4.014 ppm2      7.769 CV     1
 OR { 1704}
   (( segid B    and resid 40   and name HA  ))
   (( segid B    and resid 41   and name HN  ))
 ASSI { 1705}
   (( segid A    and resid 59   and name HA2 ))
   (( segid A    and resid 60   and name HN  ))
      3.600     1.600     1.600 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.13187E-02 ppm1      4.262 ppm2      7.773 CV     1
 OR { 1705}
   (( segid B    and resid 59   and name HA2 ))
   (( segid B    and resid 60   and name HN  ))
 ASSI { 1706}
   (  segid A    and resid 40   and name HG2%)
   (( segid A    and resid 41   and name HN  ))
      2.800     1.000     1.000 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.28951E-02 ppm1      1.299 ppm2      7.778 CV     1
 OR { 1706}
   (  segid B    and resid 40   and name HG2%)
   (( segid B    and resid 41   and name HN  ))
 ASSI { 1710}
   (( segid B    and resid 41   and name HA  ))
   (( segid B    and resid 41   and name HN  ))
      3.200     1.300     1.300 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.13367E-02 ppm1      3.580 ppm2      7.794 CV     1
 OR { 1710}
   (( segid A    and resid 41   and name HA  ))
   (( segid A    and resid 41   and name HN  ))
 ASSI { 1717}
   (( segid B    and resid 96   and name HB  ))
   (( segid B    and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.25987E-02 ppm1      1.969 ppm2      7.844 CV     1
 OR { 1717}
   (( segid A    and resid 96   and name HB  ))
   (( segid A    and resid 96   and name HN  ))
 ASSI { 1718}
   (( segid A    and resid 95   and name HB2 ))
   (( segid A    and resid 96   and name HN  ))
      2.900     1.000     1.000 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.62585E-02 ppm1      3.973 ppm2      7.845 CV     1
 OR { 1718}
   (( segid B    and resid 95   and name HB2 ))
   (( segid B    and resid 96   and name HN  ))
 OR { 1718}
   (( segid A    and resid 95   and name HB1 ))
   (( segid A    and resid 96   and name HN  ))
 OR { 1718}
   (( segid B    and resid 95   and name HB1 ))
   (( segid B    and resid 96   and name HN  ))
 ASSI { 1722}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 96   and name HN  ))
      3.300     1.300     1.300 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.56325E-02 ppm1      0.953 ppm2      7.848 CV     1
 OR { 1722}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 96   and name HN  ))
 ASSI { 1730}
   (  segid B    and resid 48   and name HB% )
   (( segid B    and resid 44   and name HE1 ))
      3.400     1.400     1.400 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.20722E-02 ppm1      1.126 ppm2      7.891 CV     1
 OR { 1730}
   (  segid A    and resid 48   and name HB% )
   (( segid A    and resid 44   and name HE1 ))
 ASSI { 1742}
   (( segid A    and resid 53   and name HA  ))
   (( segid A    and resid 53   and name HN  ))
      3.300     1.400     1.400 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.10865E-02 ppm1      4.176 ppm2      7.962 CV     1
 OR { 1742}
   (( segid B    and resid 53   and name HA  ))
   (( segid B    and resid 53   and name HN  ))
 ASSI { 1745}
   (( segid A    and resid 69   and name HG2 ))
   (( segid A    and resid 68   and name HE1 ))
      3.300     1.400     1.400 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.19221E-02 ppm1      1.980 ppm2      7.982 CV     1
 OR { 1745}
   (( segid B    and resid 69   and name HG2 ))
   (( segid B    and resid 68   and name HE1 ))
 OR { 1745}
   (( segid A    and resid 69   and name HG1 ))
   (( segid A    and resid 68   and name HE1 ))
 OR { 1745}
   (( segid B    and resid 69   and name HG1 ))
   (( segid B    and resid 68   and name HE1 ))
 ASSI { 1751}
   (( segid A    and resid 501  and name H11'))
   (( segid A    and resid 501  and name H9  ))
      3.300     1.300     1.300 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.15507E-02 ppm1      5.185 ppm2      8.013 CV     1
 OR { 1751}
   (( segid B    and resid 501  and name H11'))
   (( segid B    and resid 501  and name H9  ))
 ASSI { 1752}
   (( segid A    and resid 501  and name H12'))
   (( segid A    and resid 501  and name H9  ))
      3.300     1.400     1.400 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.11074E-02 ppm1      5.011 ppm2      8.014 CV     1
 OR { 1752}
   (( segid B    and resid 501  and name H12'))
   (( segid B    and resid 501  and name H9  ))
 ASSI { 1754}
   (( segid A    and resid 501  and name H2' ))
   (( segid A    and resid 501  and name H9  ))
      3.400     1.400     1.400 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      4.496 ppm2      8.016 CV     1
 OR { 1754}
   (( segid B    and resid 501  and name H2' ))
   (( segid B    and resid 501  and name H9  ))
 ASSI { 1758}
   (( segid A    and resid 40   and name HB  ))
   (( segid A    and resid 40   and name HN  ))
      2.700     0.900     0.900 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.24825E-02 ppm1      4.028 ppm2      8.039 CV     1
 OR { 1758}
   (( segid B    and resid 40   and name HB  ))
   (( segid B    and resid 40   and name HN  ))
 ASSI { 1759}
   (( segid A    and resid 40   and name HA  ))
   (( segid A    and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.26983E-02 ppm1      4.024 ppm2      8.055 CV     1
 OR { 1759}
   (( segid B    and resid 40   and name HA  ))
   (( segid B    and resid 40   and name HN  ))
 ASSI { 1767}
   (( segid B    and resid 15   and name HB1 ))
   (( segid B    and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.34868E-02 ppm1      2.630 ppm2      8.080 CV     1
 OR { 1767}
   (( segid A    and resid 15   and name HB1 ))
   (( segid A    and resid 16   and name HN  ))
 ASSI { 1768}
   (( segid B    and resid 15   and name HB2 ))
   (( segid B    and resid 16   and name HN  ))
      3.200     1.200     1.200 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.46137E-02 ppm1      2.707 ppm2      8.081 CV     1
 OR { 1768}
   (( segid A    and resid 15   and name HB2 ))
   (( segid A    and resid 16   and name HN  ))
 ASSI { 1770}
   (( segid A    and resid 8    and name HB2 ))
   (( segid A    and resid 9    and name HN  ))
      3.800     1.800     1.800 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.17233E-02 ppm1      2.789 ppm2      8.086 CV     1
 OR { 1770}
   (( segid B    and resid 8    and name HB2 ))
   (( segid B    and resid 9    and name HN  ))
 ASSI { 1772}
   (( segid A    and resid 9    and name HB  ))
   (( segid A    and resid 9    and name HN  ))
      3.100     1.200     1.200 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.44573E-02 ppm1      2.244 ppm2      8.093 CV     1
 OR { 1772}
   (( segid B    and resid 9    and name HB  ))
   (( segid B    and resid 9    and name HN  ))
 ASSI { 1774}
   (( segid A    and resid 7    and name HA  ))
   (( segid A    and resid 7    and name HN  ))
      2.400     0.700     0.700 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.63381E-02 ppm1      4.346 ppm2      8.100 CV     1
 OR { 1774}
   (( segid B    and resid 7    and name HA  ))
   (( segid B    and resid 7    and name HN  ))
 ASSI { 1778}
   (( segid A    and resid 44   and name HB1 ))
   (( segid A    and resid 48   and name HN  ))
      3.500     1.600     1.600 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.13995E-02 ppm1      3.188 ppm2      8.148 CV     1
 OR { 1778}
   (( segid B    and resid 44   and name HB1 ))
   (( segid B    and resid 48   and name HN  ))
 ASSI { 1786}
   (( segid B    and resid 47   and name HA  ))
   (( segid B    and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.25624E-02 ppm1      4.146 ppm2      8.180 CV     1
 OR { 1786}
   (( segid A    and resid 47   and name HA  ))
   (( segid A    and resid 48   and name HN  ))
 ASSI { 1787}
   (( segid B    and resid 47   and name HG1 ))
   (( segid B    and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.23085E-02 ppm1      1.718 ppm2      8.182 CV     1
 OR { 1787}
   (( segid A    and resid 47   and name HG1 ))
   (( segid A    and resid 48   and name HN  ))
 OR { 1787}
   (( segid B    and resid 47   and name HG2 ))
   (( segid B    and resid 48   and name HN  ))
 OR { 1787}
   (( segid A    and resid 47   and name HG2 ))
   (( segid A    and resid 48   and name HN  ))
 ASSI { 1790}
   (( segid B    and resid 31   and name HA  ))
   (( segid B    and resid 32   and name HN  ))
      3.300     1.400     1.400 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.12544E-02 ppm1      4.037 ppm2      8.197 CV     1
 OR { 1790}
   (( segid A    and resid 31   and name HA  ))
   (( segid A    and resid 32   and name HN  ))
 ASSI { 1791}
   (  segid B    and resid 43   and name HB% )
   (( segid B    and resid 44   and name HN  ))
      2.600     0.900     0.900 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.50427E-02 ppm1      1.575 ppm2      8.197 CV     1
 OR { 1791}
   (  segid A    and resid 43   and name HB% )
   (( segid A    and resid 44   and name HN  ))
 ASSI { 1816}
   (( segid B    and resid 29   and name HA  ))
   (( segid B    and resid 28   and name HN  ))
      3.800     1.800     1.800 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.18692E-02 ppm1      4.358 ppm2      8.295 CV     1
 OR { 1816}
   (( segid A    and resid 29   and name HA  ))
   (( segid A    and resid 28   and name HN  ))
 ASSI { 1828}
   (( segid A    and resid 15   and name HA  ))
   (( segid A    and resid 15   and name HN  ))
      2.700     0.900     0.900 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.44420E-02 ppm1      4.588 ppm2      8.315 CV     1
 OR { 1828}
   (( segid B    and resid 15   and name HA  ))
   (( segid B    and resid 15   and name HN  ))
 ASSI { 1833}
   (  segid B    and resid 70   and name HB% )
   (( segid B    and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.31485E-02 ppm1      1.644 ppm2      8.361 CV     1
 OR { 1833}
   (  segid A    and resid 70   and name HB% )
   (( segid A    and resid 72   and name HN  ))
 ASSI { 1834}
   (( segid B    and resid 69   and name HA  ))
   (( segid B    and resid 72   and name HN  ))
      3.300     1.300     1.300 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.23118E-02 ppm1      4.120 ppm2      8.362 CV     1
 OR { 1834}
   (( segid A    and resid 69   and name HA  ))
   (( segid A    and resid 72   and name HN  ))
 ASSI { 1837}
   (  segid A    and resid 71   and name HB% )
   (( segid A    and resid 72   and name HN  ))
      2.200     0.600     0.600 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.83895E-02 ppm1      1.761 ppm2      8.365 CV     1
 OR { 1837}
   (  segid B    and resid 71   and name HB% )
   (( segid B    and resid 72   and name HN  ))
 ASSI { 1839}
   (( segid B    and resid 71   and name HA  ))
   (( segid B    and resid 72   and name HN  ))
      3.000     1.100     1.100 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.26600E-02 ppm1      4.421 ppm2      8.373 CV     1
 OR { 1839}
   (( segid A    and resid 71   and name HA  ))
   (( segid A    and resid 72   and name HN  ))
 ASSI { 1847}
   (( segid B    and resid 80   and name HG2 ))
   (( segid B    and resid 80   and name HN  ))
      2.100     0.600     0.600 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.67485E-02 ppm1      2.328 ppm2      8.385 CV     1
 OR { 1847}
   (( segid A    and resid 80   and name HG2 ))
   (( segid A    and resid 80   and name HN  ))
 ASSI { 1850}
   (( segid B    and resid 80   and name HG1 ))
   (( segid B    and resid 80   and name HN  ))
      3.000     1.100     1.100 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.45282E-02 ppm1      2.041 ppm2      8.387 CV     1
 OR { 1850}
   (( segid A    and resid 80   and name HG1 ))
   (( segid A    and resid 80   and name HN  ))
 ASSI { 1852}
   (  segid B    and resid 79   and name HG2%)
   (( segid B    and resid 80   and name HN  ))
      3.300     1.400     1.400 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.34671E-02 ppm1      0.109 ppm2      8.387 CV     1
 OR { 1852}
   (  segid A    and resid 79   and name HG2%)
   (( segid A    and resid 80   and name HN  ))
 ASSI { 1854}
   (  segid A    and resid 79   and name HD1%)
   (( segid A    and resid 21   and name HH  ))
      2.900     1.100     1.100 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.25012E-02 ppm1      0.171 ppm2      8.391 CV     1
 OR { 1854}
   (  segid B    and resid 79   and name HD1%)
   (( segid B    and resid 21   and name HH  ))
 ASSI { 1866}
   (( segid A    and resid 76   and name HA  ))
   (( segid A    and resid 80   and name HN  ))
      2.800     0.900     0.900 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.25705E-02 ppm1      4.365 ppm2      8.431 CV     1
 OR { 1866}
   (( segid B    and resid 76   and name HA  ))
   (( segid B    and resid 80   and name HN  ))
 ASSI { 1871}
   (( segid B    and resid 76   and name HB1 ))
   (( segid B    and resid 80   and name HN  ))
      3.500     1.500     1.500 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.18346E-02 ppm1      1.776 ppm2      8.435 CV     1
 OR { 1871}
   (( segid A    and resid 76   and name HB1 ))
   (( segid A    and resid 80   and name HN  ))
 ASSI { 1876}
   (  segid A    and resid 76   and name HE% )
   (( segid A    and resid 76   and name HN  ))
      3.400     1.500     1.500 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.24373E-02 ppm1      1.359 ppm2      8.446 CV     1
 OR { 1876}
   (  segid B    and resid 76   and name HE% )
   (( segid B    and resid 76   and name HN  ))
 ASSI { 1879}
   (  segid A    and resid 75   and name HG1%)
   (( segid A    and resid 76   and name HN  ))
      2.400     0.700     0.700 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.73581E-02 ppm1      0.965 ppm2      8.450 CV     1
 OR { 1879}
   (  segid B    and resid 75   and name HG1%)
   (( segid B    and resid 76   and name HN  ))
 ASSI { 1880}
   (( segid A    and resid 76   and name HB2 ))
   (( segid A    and resid 80   and name HN  ))
      3.600     1.700     1.700 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.27867E-02 ppm1      2.106 ppm2      8.451 CV     1
 OR { 1880}
   (( segid B    and resid 76   and name HB2 ))
   (( segid B    and resid 80   and name HN  ))
 ASSI { 1881}
   (( segid B    and resid 35   and name HA  ))
   (( segid B    and resid 38   and name HN  ))
      3.200     1.300     1.300 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.12124E-02 ppm1      4.048 ppm2      8.470 CV     1
 OR { 1881}
   (( segid A    and resid 35   and name HA  ))
   (( segid A    and resid 38   and name HN  ))
 ASSI { 1886}
   (( segid A    and resid 98   and name HB1 ))
   (( segid A    and resid 99   and name HN  ))
      2.300     0.700     0.700 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.40586E-02 ppm1      1.714 ppm2      8.482 CV     1
 OR { 1886}
   (( segid B    and resid 98   and name HB1 ))
   (( segid B    and resid 99   and name HN  ))
 ASSI { 1888}
   (( segid B    and resid 98   and name HD2 ))
   (( segid B    and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.16555E-02 ppm1      1.690 ppm2      8.483 CV     1
 OR { 1888}
   (( segid A    and resid 98   and name HD2 ))
   (( segid A    and resid 99   and name HN  ))
 OR { 1888}
   (( segid A    and resid 98   and name HD1 ))
   (( segid A    and resid 99   and name HN  ))
 OR { 1888}
   (( segid B    and resid 98   and name HD1 ))
   (( segid B    and resid 99   and name HN  ))
 ASSI { 1891}
   (( segid A    and resid 98   and name HG1 ))
   (( segid A    and resid 99   and name HN  ))
      3.400     1.400     1.400 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.20824E-02 ppm1      1.321 ppm2      8.494 CV     1
 OR { 1891}
   (( segid B    and resid 98   and name HG1 ))
   (( segid B    and resid 99   and name HN  ))
 ASSI { 1896}
   (( segid B    and resid 35   and name HG  ))
   (( segid B    and resid 36   and name HN  ))
      3.700     1.800     1.800 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.12684E-02 ppm1      1.901 ppm2      8.561 CV     1
 OR { 1896}
   (( segid A    and resid 35   and name HG  ))
   (( segid A    and resid 36   and name HN  ))
 ASSI { 1899}
   (  segid B    and resid 97   and name HB% )
   (( segid B    and resid 97   and name HN  ))
      2.400     0.700     0.700 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.66779E-02 ppm1      1.477 ppm2      8.572 CV     1
 OR { 1899}
   (  segid A    and resid 97   and name HB% )
   (( segid A    and resid 97   and name HN  ))
 ASSI { 1918}
   (( segid B    and resid 89   and name HG2 ))
   (( segid B    and resid 90   and name HN  ))
      3.400     1.500     1.500 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.21696E-02 ppm1      2.317 ppm2      8.700 CV     1
 OR { 1918}
   (( segid A    and resid 89   and name HG2 ))
   (( segid A    and resid 90   and name HN  ))
 ASSI { 1919}
   (( segid A    and resid 22   and name HD2 ))
   (( segid A    and resid 22   and name HN  ))
      3.600     1.600     1.600 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.20306E-02 ppm1      3.244 ppm2      8.705 CV     1
 OR { 1919}
   (( segid B    and resid 22   and name HD1 ))
   (( segid B    and resid 22   and name HN  ))
 OR { 1919}
   (( segid A    and resid 22   and name HD1 ))
   (( segid A    and resid 22   and name HN  ))
 OR { 1919}
   (( segid B    and resid 22   and name HD2 ))
   (( segid B    and resid 22   and name HN  ))
 ASSI { 1921}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 90   and name HN  ))
      2.700     0.900     0.900 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.50512E-02 ppm1      0.650 ppm2      8.708 CV     1
 OR { 1921}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 90   and name HN  ))
 ASSI { 1923}
   (  segid B    and resid 88   and name HG2%)
   (( segid B    and resid 90   and name HN  ))
      3.200     1.300     1.300 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.26709E-02 ppm1      0.226 ppm2      8.711 CV     1
 OR { 1923}
   (  segid A    and resid 88   and name HG2%)
   (( segid A    and resid 90   and name HN  ))
 ASSI { 1927}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 90   and name HN  ))
      3.100     1.200     1.200 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.65092E-02 ppm1      0.931 ppm2      8.715 CV     1
 OR { 1927}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 90   and name HN  ))
 ASSI { 1929}
   (( segid A    and resid 89   and name HG1 ))
   (( segid A    and resid 90   and name HN  ))
      3.300     1.400     1.400 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.19344E-02 ppm1      2.052 ppm2      8.719 CV     1
 OR { 1929}
   (( segid B    and resid 89   and name HG1 ))
   (( segid B    and resid 90   and name HN  ))
 ASSI { 1930}
   (( segid A    and resid 64   and name HA  ))
   (( segid A    and resid 21   and name HN  ))
      3.100     1.200     1.200 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.26087E-02 ppm1      5.405 ppm2      8.724 CV     1
 OR { 1930}
   (( segid B    and resid 64   and name HA  ))
   (( segid B    and resid 21   and name HN  ))
 ASSI { 1931}
   (( segid B    and resid 93   and name HA  ))
   (( segid B    and resid 20   and name HN  ))
      3.000     1.100     1.100 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.48777E-02 ppm1      5.195 ppm2      8.729 CV     1
 OR { 1931}
   (( segid A    and resid 93   and name HA  ))
   (( segid A    and resid 20   and name HN  ))
 ASSI { 1932}
   (( segid B    and resid 93   and name HB1 ))
   (( segid B    and resid 20   and name HN  ))
      3.900     1.900     1.900 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.24814E-02 ppm1      2.060 ppm2      8.734 CV     1
 OR { 1932}
   (( segid A    and resid 93   and name HB1 ))
   (( segid A    and resid 20   and name HN  ))
 ASSI { 1934}
   (( segid B    and resid 20   and name HA  ))
   (( segid B    and resid 20   and name HN  ))
      2.500     0.800     0.800 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.38864E-02 ppm1      5.883 ppm2      8.736 CV     1
 OR { 1934}
   (( segid A    and resid 20   and name HA  ))
   (( segid A    and resid 20   and name HN  ))
 ASSI { 1935}
   (( segid A    and resid 20   and name HB1 ))
   (( segid A    and resid 20   and name HN  ))
      3.000     1.100     1.100 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.19896E-02 ppm1      2.347 ppm2      8.737 CV     1
 OR { 1935}
   (( segid B    and resid 20   and name HB1 ))
   (( segid B    and resid 20   and name HN  ))
 OR { 1935}
   (( segid A    and resid 20   and name HB2 ))
   (( segid A    and resid 20   and name HN  ))
 OR { 1935}
   (( segid B    and resid 20   and name HB2 ))
   (( segid B    and resid 20   and name HN  ))
 ASSI { 1936}
   (( segid B    and resid 93   and name HG2 ))
   (( segid B    and resid 20   and name HN  ))
      3.300     1.400     1.400 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.20414E-02 ppm1      2.231 ppm2      8.738 CV     1
 OR { 1936}
   (( segid A    and resid 93   and name HG2 ))
   (( segid A    and resid 20   and name HN  ))
 ASSI { 1940}
   (( segid A    and resid 93   and name HG1 ))
   (( segid A    and resid 20   and name HN  ))
      3.300     1.400     1.400 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.16470E-02 ppm1      2.172 ppm2      8.742 CV     1
 OR { 1940}
   (( segid B    and resid 93   and name HG1 ))
   (( segid B    and resid 20   and name HN  ))
 ASSI { 1941}
   (  segid A    and resid 92   and name HB% )
   (( segid A    and resid 20   and name HN  ))
      2.800     1.000     1.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.27724E-02 ppm1      1.427 ppm2      8.743 CV     1
 OR { 1941}
   (  segid B    and resid 92   and name HB% )
   (( segid B    and resid 20   and name HN  ))
 ASSI { 1944}
   (( segid B    and resid 19   and name HB2 ))
   (( segid B    and resid 20   and name HN  ))
      3.900     1.900     1.900 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.14734E-02 ppm1      2.968 ppm2      8.756 CV     1
 OR { 1944}
   (( segid A    and resid 19   and name HB2 ))
   (( segid A    and resid 20   and name HN  ))
 ASSI { 1951}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 95   and name HN  ))
      3.100     1.200     1.200 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.41548E-02 ppm1      0.962 ppm2      8.788 CV     1
 OR { 1951}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 95   and name HN  ))
 ASSI { 1952}
   (( segid B    and resid 102  and name HA  ))
   (( segid B    and resid 51   and name HN  ))
      2.800     2.800     3.200 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.12790E-02 ppm1      4.614 ppm2      8.807 CV     1
 OR { 1952}
   (( segid A    and resid 102  and name HA  ))
   (( segid A    and resid 51   and name HN  ))
 ASSI { 1954}
   (( segid A    and resid 38   and name HB  ))
   (( segid A    and resid 39   and name HN  ))
      3.100     1.200     1.200 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.15118E-02 ppm1      2.383 ppm2      8.823 CV     1
 OR { 1954}
   (( segid B    and resid 38   and name HB  ))
   (( segid B    and resid 39   and name HN  ))
 ASSI { 1958}
   (( segid B    and resid 87   and name HB1 ))
   (( segid B    and resid 24   and name HN  ))
      3.900     1.900     1.900 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.17323E-02 ppm1      2.757 ppm2      8.835 CV     1
 OR { 1958}
   (( segid A    and resid 87   and name HB1 ))
   (( segid A    and resid 24   and name HN  ))
 ASSI { 1961}
   (( segid B    and resid 24   and name HA  ))
   (( segid B    and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.14231E-02 ppm1      5.116 ppm2      8.847 CV     1
 OR { 1961}
   (( segid A    and resid 24   and name HA  ))
   (( segid A    and resid 24   and name HN  ))
 ASSI { 1962}
   (( segid A    and resid 87   and name HB2 ))
   (( segid A    and resid 24   and name HN  ))
      3.100     1.200     1.200 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.13566E-02 ppm1      3.076 ppm2      8.855 CV     1
 OR { 1962}
   (( segid B    and resid 87   and name HB2 ))
   (( segid B    and resid 24   and name HN  ))
 ASSI { 1968}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 87   and name HN  ))
      3.200     1.300     1.300 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.21857E-02 ppm1      0.134 ppm2      8.897 CV     1
 OR { 1968}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 87   and name HN  ))
 ASSI { 1969}
   (  segid B    and resid 30   and name HG2%)
   (( segid B    and resid 31   and name HN  ))
      3.400     1.400     1.400 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.26247E-02 ppm1      1.466 ppm2      8.898 CV     1
 OR { 1969}
   (  segid A    and resid 30   and name HG2%)
   (( segid A    and resid 31   and name HN  ))
 ASSI { 1977}
   (( segid A    and resid 46   and name HA  ))
   (( segid A    and resid 50   and name HN  ))
      3.300     1.300     1.300 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.15155E-02 ppm1      4.346 ppm2      8.992 CV     1
 OR { 1977}
   (( segid B    and resid 46   and name HA  ))
   (( segid B    and resid 50   and name HN  ))
 ASSI { 1978}
   (( segid B    and resid 50   and name HA  ))
   (( segid B    and resid 50   and name HN  ))
      3.200     1.200     1.200 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.13358E-02 ppm1      5.602 ppm2      8.996 CV     1
 OR { 1978}
   (( segid A    and resid 50   and name HA  ))
   (( segid A    and resid 50   and name HN  ))
 ASSI { 1980}
   (  segid A    and resid 96   and name HG2%)
   (( segid A    and resid 18   and name HN  ))
      3.000     1.100     1.100 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.21834E-02 ppm1      1.044 ppm2      9.014 CV     1
 OR { 1980}
   (  segid B    and resid 96   and name HG2%)
   (( segid B    and resid 18   and name HN  ))
 ASSI { 1981}
   (( segid B    and resid 50   and name HB1 ))
   (( segid B    and resid 50   and name HN  ))
      3.200     1.300     1.300 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.16662E-02 ppm1      1.598 ppm2      9.015 CV     1
 OR { 1981}
   (( segid A    and resid 50   and name HB2 ))
   (( segid A    and resid 50   and name HN  ))
 OR { 1981}
   (( segid B    and resid 50   and name HB2 ))
   (( segid B    and resid 50   and name HN  ))
 OR { 1981}
   (( segid A    and resid 50   and name HB1 ))
   (( segid A    and resid 50   and name HN  ))
 ASSI { 1984}
   (  segid A    and resid 17   and name HG2%)
   (( segid A    and resid 18   and name HN  ))
      3.200     1.300     1.300 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.58317E-02 ppm1      0.954 ppm2      9.021 CV     1
 OR { 1984}
   (  segid B    and resid 17   and name HG2%)
   (( segid B    and resid 18   and name HN  ))
 ASSI { 1988}
   (( segid B    and resid 45   and name HA  ))
   (( segid B    and resid 45   and name HN  ))
      3.000     1.100     1.100 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.22618E-02 ppm1      4.148 ppm2      9.037 CV     1
 OR { 1988}
   (( segid A    and resid 45   and name HA  ))
   (( segid A    and resid 45   and name HN  ))
 ASSI { 1990}
   (( segid A    and resid 44   and name HA  ))
   (( segid A    and resid 45   and name HN  ))
      3.400     1.500     1.500 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.12720E-02 ppm1      4.213 ppm2      9.053 CV     1
 OR { 1990}
   (( segid B    and resid 44   and name HA  ))
   (( segid B    and resid 45   and name HN  ))
 ASSI { 1991}
   (( segid A    and resid 95   and name HB1 ))
   (( segid A    and resid 18   and name HN  ))
      4.300     2.300     1.700 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.17523E-02 ppm1      3.969 ppm2      9.056 CV     1
 OR { 1991}
   (( segid B    and resid 95   and name HB1 ))
   (( segid B    and resid 18   and name HN  ))
 OR { 1991}
   (( segid A    and resid 95   and name HB2 ))
   (( segid A    and resid 18   and name HN  ))
 OR { 1991}
   (( segid B    and resid 95   and name HB2 ))
   (( segid B    and resid 18   and name HN  ))
 ASSI { 1992}
   (( segid A    and resid 44   and name HB1 ))
   (( segid A    and resid 45   and name HN  ))
      3.000     1.100     1.100 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.14509E-02 ppm1      3.183 ppm2      9.057 CV     1
 OR { 1992}
   (( segid B    and resid 44   and name HB1 ))
   (( segid B    and resid 45   and name HN  ))
 ASSI { 1995}
   (( segid B    and resid 17   and name HB  ))
   (( segid B    and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.24145E-02 ppm1      2.181 ppm2      9.085 CV     1
 OR { 1995}
   (( segid A    and resid 17   and name HB  ))
   (( segid A    and resid 17   and name HN  ))
 ASSI { 1996}
   (( segid A    and resid 96   and name HA  ))
   (( segid A    and resid 17   and name HN  ))
      3.700     3.700     2.300 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.18639E-02 ppm1      4.847 ppm2      9.095 CV     1
 OR { 1996}
   (( segid B    and resid 96   and name HA  ))
   (( segid B    and resid 17   and name HN  ))
 ASSI { 2002}
   (  segid A    and resid 16   and name HD1%)
   (( segid A    and resid 17   and name HN  ))
      3.300     1.300     1.300 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.49427E-02 ppm1      0.763 ppm2      9.117 CV     1
 OR { 2002}
   (  segid B    and resid 16   and name HD1%)
   (( segid B    and resid 17   and name HN  ))
 ASSI { 2004}
   (( segid B    and resid 29   and name HA  ))
   (( segid B    and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.42966E-02 ppm1      4.370 ppm2      9.250 CV     1
 OR { 2004}
   (( segid A    and resid 29   and name HA  ))
   (( segid A    and resid 30   and name HN  ))
 ASSI { 2005}
   (  segid B    and resid 30   and name HG2%)
   (( segid B    and resid 30   and name HN  ))
      3.100     1.200     1.200 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.36399E-02 ppm1      1.466 ppm2      9.259 CV     1
 OR { 2005}
   (  segid A    and resid 30   and name HG2%)
   (( segid A    and resid 30   and name HN  ))
 ASSI { 2007}
   (( segid B    and resid 21   and name HA  ))
   (( segid B    and resid 91   and name HN  ))
      3.100     1.200     1.200 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      5.452 ppm2      9.299 CV     1
 OR { 2007}
   (( segid A    and resid 21   and name HA  ))
   (( segid A    and resid 91   and name HN  ))
 ASSI { 2009}
   (  segid B    and resid 90   and name HG2%)
   (( segid B    and resid 91   and name HN  ))
      3.100     1.200     1.200 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.32764E-02 ppm1      0.928 ppm2      9.323 CV     1
 OR { 2009}
   (  segid A    and resid 90   and name HG2%)
   (( segid A    and resid 91   and name HN  ))
 ASSI { 2010}
   (( segid B    and resid 91   and name HA  ))
   (( segid B    and resid 91   and name HN  ))
      3.100     1.200     1.200 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.13946E-02 ppm1      4.484 ppm2      9.326 CV     1
 OR { 2010}
   (( segid A    and resid 91   and name HA  ))
   (( segid A    and resid 91   and name HN  ))
 ASSI { 2012}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 91   and name HN  ))
      2.800     2.800     3.200 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.12957E-02 ppm1      0.652 ppm2      9.335 CV     1
 OR { 2012}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 91   and name HN  ))
 ASSI { 2013}
   (( segid B    and resid 90   and name HA  ))
   (( segid B    and resid 91   and name HN  ))
      2.600     0.900     0.900 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.18826E-02 ppm1      4.044 ppm2      9.337 CV     1
 OR { 2013}
   (( segid A    and resid 90   and name HA  ))
   (( segid A    and resid 91   and name HN  ))
 ASSI { 2014}
   (  segid A    and resid 16   and name HD1%)
   (( segid A    and resid 68   and name HN  ))
      2.600     0.900     0.900 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.32368E-02 ppm1      0.763 ppm2      9.434 CV     1
 OR { 2014}
   (  segid B    and resid 16   and name HD1%)
   (( segid B    and resid 68   and name HN  ))
 ASSI { 2025}
   (( segid B    and resid 18   and name HA  ))
   (( segid B    and resid 65   and name HN  ))
      3.600     1.600     1.600 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12877E-02 ppm1      5.742 ppm2      9.560 CV     1
 OR { 2025}
   (( segid A    and resid 18   and name HA  ))
   (( segid A    and resid 65   and name HN  ))
 ASSI { 2026}
   (  segid B    and resid 90   and name HD1%)
   (( segid B    and resid 89   and name HN  ))
      2.800     1.000     2.700 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.12787E-02 ppm1      0.650 ppm2      9.578 CV     1
 OR { 2026}
   (  segid A    and resid 90   and name HD1%)
   (( segid A    and resid 89   and name HN  ))
 ASSI { 2027}
   (  segid A    and resid 88   and name HG1%)
   (( segid A    and resid 89   and name HN  ))
      3.200     1.300     1.300 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.27332E-02 ppm1      0.131 ppm2      9.586 CV     1
 OR { 2027}
   (  segid B    and resid 88   and name HG1%)
   (( segid B    and resid 89   and name HN  ))
 ASSI { 2028}
   (  segid A    and resid 88   and name HG2%)
   (( segid A    and resid 89   and name HN  ))
      3.300     1.300     1.300 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      0.232 ppm2      9.590 CV     1
 OR { 2028}
   (  segid B    and resid 88   and name HG2%)
   (( segid B    and resid 89   and name HN  ))
 ASSI { 2030}
   (( segid A    and resid 89   and name HG1 ))
   (( segid A    and resid 89   and name HN  ))
      3.600     1.600     1.600 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.15080E-02 ppm1      2.063 ppm2      9.597 CV     1
 OR { 2030}
   (( segid B    and resid 89   and name HG1 ))
   (( segid B    and resid 89   and name HN  ))
 ASSI { 2032}
   (( segid B    and resid 89   and name HG2 ))
   (( segid B    and resid 89   and name HN  ))
      3.500     1.500     1.500 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.23280E-02 ppm1      2.314 ppm2      9.599 CV     1
 OR { 2032}
   (( segid A    and resid 89   and name HG2 ))
   (( segid A    and resid 89   and name HN  ))
 ASSI { 2038}
   (( segid B    and resid 70   and name HA  ))
   (( segid B    and resid 70   and name HN  ))
      3.200     1.300     1.300 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.12660E-02 ppm1      4.315 ppm2     10.292 CV     1
 OR { 2038}
   (( segid A    and resid 70   and name HA  ))
   (( segid A    and resid 70   and name HN  ))
 ASSI { 2043}
   (( segid B    and resid 100  and name HB2 ))
   (( segid B    and resid 100  and name HN  ))
      3.400     1.400     1.400 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.94670E-03 ppm1      1.717 ppm2     11.641 CV     1
 OR { 2043}
   (( segid A    and resid 100  and name HB2 ))
   (( segid A    and resid 100  and name HN  ))
 ASSI { 2044}
   (( segid A    and resid 100  and name HB1 ))
   (( segid A    and resid 100  and name HN  ))
      3.900     1.900     1.900 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.92295E-03 ppm1      1.395 ppm2     11.660 CV     1
 OR { 2044}
   (( segid B    and resid 100  and name HB1 ))
   (( segid B    and resid 100  and name HN  ))
 ASSI { 2045}
   (( segid B    and resid 99   and name HA  ))
   (( segid B    and resid 100  and name HN  ))
      3.000     1.100     1.100 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.22229E-02 ppm1      3.959 ppm2     11.669 CV     1
 OR { 2045}
   (( segid A    and resid 99   and name HA  ))
   (( segid A    and resid 100  and name HN  ))
 ASSI { 2046}
   (( segid A    and resid 100  and name HA  ))
   (( segid A    and resid 100  and name HN  ))
      3.300     1.300     1.300 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.11889E-02 ppm1      4.119 ppm2     11.670 CV     1
 OR { 2046}
   (( segid B    and resid 100  and name HA  ))
   (( segid B    and resid 100  and name HN  ))
! phi segid A and residue     16
assign (segid A and resid   15 and name C)  (segid A and resid   16 and name N)
       (segid A and resid   16 and name CA) (segid A and resid   16 and name C) 1.0 -127.0   36.0 2
! psi segid A and residue     16
assign (segid A and resid   16 and name N)  (segid A and resid   16 and name CA)
       (segid A and resid   16 and name C)  (segid A and resid   17 and name N) 1.0  149.0   38.0 2
! phi segid A and residue     17
assign (segid A and resid   16 and name C)  (segid A and resid   17 and name N)
       (segid A and resid   17 and name CA) (segid A and resid   17 and name C) 1.0 -129.0   30.0 2
! psi segid A and residue     17
assign (segid A and resid   17 and name N)  (segid A and resid   17 and name CA)
       (segid A and resid   17 and name C)  (segid A and resid   18 and name N) 1.0  147.0   36.0 2
! phi segid A and residue     18
assign (segid A and resid   17 and name C)  (segid A and resid   18 and name N)
       (segid A and resid   18 and name CA) (segid A and resid   18 and name C) 1.0 -122.0   26.0 2
! psi segid A and residue     18
assign (segid A and resid   18 and name N)  (segid A and resid   18 and name CA)
       (segid A and resid   18 and name C)  (segid A and resid   19 and name N) 1.0  134.0   22.0 2
! phi segid A and residue     19
assign (segid A and resid   18 and name C)  (segid A and resid   19 and name N)
       (segid A and resid   19 and name CA) (segid A and resid   19 and name C) 1.0 -126.0   38.0 2
! psi segid A and residue     19
assign (segid A and resid   19 and name N)  (segid A and resid   19 and name CA)
       (segid A and resid   19 and name C)  (segid A and resid   20 and name N) 1.0  127.0   26.0 2
! phi segid A and residue     20
assign (segid A and resid   19 and name C)  (segid A and resid   20 and name N)
       (segid A and resid   20 and name CA) (segid A and resid   20 and name C) 1.0 -116.0   22.0 2
! psi segid A and residue     20
assign (segid A and resid   20 and name N)  (segid A and resid   20 and name CA)
       (segid A and resid   20 and name C)  (segid A and resid   21 and name N) 1.0  124.0   16.0 2
! phi segid A and residue     21
assign (segid A and resid   20 and name C)  (segid A and resid   21 and name N)
       (segid A and resid   21 and name CA) (segid A and resid   21 and name C) 1.0 -126.0   20.0 2
! psi segid A and residue     21
assign (segid A and resid   21 and name N)  (segid A and resid   21 and name CA)
       (segid A and resid   21 and name C)  (segid A and resid   22 and name N) 1.0  144.0   30.0 2
! phi segid A and residue     22
assign (segid A and resid   21 and name C)  (segid A and resid   22 and name N)
       (segid A and resid   22 and name CA) (segid A and resid   22 and name C) 1.0 -121.0   28.0 2
! psi segid A and residue     22
assign (segid A and resid   22 and name N)  (segid A and resid   22 and name CA)
       (segid A and resid   22 and name C)  (segid A and resid   23 and name N) 1.0  137.0   24.0 2
! phi segid A and residue     23
assign (segid A and resid   22 and name C)  (segid A and resid   23 and name N)
       (segid A and resid   23 and name CA) (segid A and resid   23 and name C) 1.0 -131.0   46.0 2
! psi segid A and residue     23
assign (segid A and resid   23 and name N)  (segid A and resid   23 and name CA)
       (segid A and resid   23 and name C)  (segid A and resid   24 and name N) 1.0  147.0   46.0 2
! phi segid A and residue     26
assign (segid A and resid   25 and name C)  (segid A and resid   26 and name N)
       (segid A and resid   26 and name CA) (segid A and resid   26 and name C) 1.0  -91.0   40.0 2
! psi segid A and residue     26
assign (segid A and resid   26 and name N)  (segid A and resid   26 and name CA)
       (segid A and resid   26 and name C)  (segid A and resid   27 and name N) 1.0  125.0   38.0 2
! phi segid A and residue     33
assign (segid A and resid   32 and name C)  (segid A and resid   33 and name N)
       (segid A and resid   33 and name CA) (segid A and resid   33 and name C) 1.0  -89.0   46.0 2
! psi segid A and residue     33
assign (segid A and resid   33 and name N)  (segid A and resid   33 and name CA)
       (segid A and resid   33 and name C)  (segid A and resid   34 and name N) 1.0    3.0   48.0 2
! phi segid A and residue     36
assign (segid A and resid   35 and name C)  (segid A and resid   36 and name N)
       (segid A and resid   36 and name CA) (segid A and resid   36 and name C) 1.0  -61.0   20.0 2
! psi segid A and residue     36
assign (segid A and resid   36 and name N)  (segid A and resid   36 and name CA)
       (segid A and resid   36 and name C)  (segid A and resid   37 and name N) 1.0  -35.0   26.0 2
! phi segid A and residue     37
assign (segid A and resid   36 and name C)  (segid A and resid   37 and name N)
       (segid A and resid   37 and name CA) (segid A and resid   37 and name C) 1.0  -66.0   20.0 2
! psi segid A and residue     37
assign (segid A and resid   37 and name N)  (segid A and resid   37 and name CA)
       (segid A and resid   37 and name C)  (segid A and resid   38 and name N) 1.0  -38.0   24.0 2
! phi segid A and residue     38
assign (segid A and resid   37 and name C)  (segid A and resid   38 and name N)
       (segid A and resid   38 and name CA) (segid A and resid   38 and name C) 1.0  -65.0   20.0 2
! psi segid A and residue     38
assign (segid A and resid   38 and name N)  (segid A and resid   38 and name CA)
       (segid A and resid   38 and name C)  (segid A and resid   39 and name N) 1.0  -39.0   24.0 2
! phi segid A and residue     39
assign (segid A and resid   38 and name C)  (segid A and resid   39 and name N)
       (segid A and resid   39 and name CA) (segid A and resid   39 and name C) 1.0  -69.0   20.0 2
! psi segid A and residue     39
assign (segid A and resid   39 and name N)  (segid A and resid   39 and name CA)
       (segid A and resid   39 and name C)  (segid A and resid   40 and name N) 1.0  -31.0   50.0 2
! phi segid A and residue     42
assign (segid A and resid   41 and name C)  (segid A and resid   42 and name N)
       (segid A and resid   42 and name CA) (segid A and resid   42 and name C) 1.0  -73.0   36.0 2
! psi segid A and residue     42
assign (segid A and resid   42 and name N)  (segid A and resid   42 and name CA)
       (segid A and resid   42 and name C)  (segid A and resid   43 and name N) 1.0  -26.0   42.0 2
! phi segid A and residue     43
assign (segid A and resid   42 and name C)  (segid A and resid   43 and name N)
       (segid A and resid   43 and name CA) (segid A and resid   43 and name C) 1.0  -81.0   44.0 2
! psi segid A and residue     43
assign (segid A and resid   43 and name N)  (segid A and resid   43 and name CA)
       (segid A and resid   43 and name C)  (segid A and resid   44 and name N) 1.0  -13.0   44.0 2
! phi segid A and residue     44
assign (segid A and resid   43 and name C)  (segid A and resid   44 and name N)
       (segid A and resid   44 and name CA) (segid A and resid   44 and name C) 1.0  -64.0   30.0 2
! psi segid A and residue     44
assign (segid A and resid   44 and name N)  (segid A and resid   44 and name CA)
       (segid A and resid   44 and name C)  (segid A and resid   45 and name N) 1.0  -27.0   56.0 2
! phi segid A and residue     45
assign (segid A and resid   44 and name C)  (segid A and resid   45 and name N)
       (segid A and resid   45 and name CA) (segid A and resid   45 and name C) 1.0  -67.0   28.0 2
! psi segid A and residue     45
assign (segid A and resid   45 and name N)  (segid A and resid   45 and name CA)
       (segid A and resid   45 and name C)  (segid A and resid   46 and name N) 1.0  -31.0   38.0 2
! phi segid A and residue     46
assign (segid A and resid   45 and name C)  (segid A and resid   46 and name N)
       (segid A and resid   46 and name CA) (segid A and resid   46 and name C) 1.0  -81.0   46.0 2
! psi segid A and residue     46
assign (segid A and resid   46 and name N)  (segid A and resid   46 and name CA)
       (segid A and resid   46 and name C)  (segid A and resid   47 and name N) 1.0   -9.0   48.0 2
! phi segid A and residue     50
assign (segid A and resid   49 and name C)  (segid A and resid   50 and name N)
       (segid A and resid   50 and name CA) (segid A and resid   50 and name C) 1.0 -120.0   40.0 2
! psi segid A and residue     50
assign (segid A and resid   50 and name N)  (segid A and resid   50 and name CA)
       (segid A and resid   50 and name C)  (segid A and resid   51 and name N) 1.0  140.0   18.0 2
! phi segid A and residue     51
assign (segid A and resid   50 and name C)  (segid A and resid   51 and name N)
       (segid A and resid   51 and name CA) (segid A and resid   51 and name C) 1.0 -128.0   34.0 2
! psi segid A and residue     51
assign (segid A and resid   51 and name N)  (segid A and resid   51 and name CA)
       (segid A and resid   51 and name C)  (segid A and resid   52 and name N) 1.0  153.0   26.0 2
! phi segid A and residue     52
assign (segid A and resid   51 and name C)  (segid A and resid   52 and name N)
       (segid A and resid   52 and name CA) (segid A and resid   52 and name C) 1.0 -131.0   34.0 2
! psi segid A and residue     52
assign (segid A and resid   52 and name N)  (segid A and resid   52 and name CA)
       (segid A and resid   52 and name C)  (segid A and resid   53 and name N) 1.0  149.0   24.0 2
! phi segid A and residue     53
assign (segid A and resid   52 and name C)  (segid A and resid   53 and name N)
       (segid A and resid   53 and name CA) (segid A and resid   53 and name C) 1.0 -139.0   40.0 2
! psi segid A and residue     53
assign (segid A and resid   53 and name N)  (segid A and resid   53 and name CA)
       (segid A and resid   53 and name C)  (segid A and resid   54 and name N) 1.0  145.0   44.0 2
! phi segid A and residue     54
assign (segid A and resid   53 and name C)  (segid A and resid   54 and name N)
       (segid A and resid   54 and name CA) (segid A and resid   54 and name C) 1.0 -126.0   38.0 2
! psi segid A and residue     54
assign (segid A and resid   54 and name N)  (segid A and resid   54 and name CA)
       (segid A and resid   54 and name C)  (segid A and resid   55 and name N) 1.0  134.0   26.0 2
! phi segid A and residue     55
assign (segid A and resid   54 and name C)  (segid A and resid   55 and name N)
       (segid A and resid   55 and name CA) (segid A and resid   55 and name C) 1.0 -120.0   20.0 2
! psi segid A and residue     55
assign (segid A and resid   55 and name N)  (segid A and resid   55 and name CA)
       (segid A and resid   55 and name C)  (segid A and resid   56 and name N) 1.0  134.0   26.0 2
! phi segid A and residue     56
assign (segid A and resid   55 and name C)  (segid A and resid   56 and name N)
       (segid A and resid   56 and name CA) (segid A and resid   56 and name C) 1.0 -129.0   32.0 2
! psi segid A and residue     56
assign (segid A and resid   56 and name N)  (segid A and resid   56 and name CA)
       (segid A and resid   56 and name C)  (segid A and resid   57 and name N) 1.0  135.0   28.0 2
! phi segid A and residue     57
assign (segid A and resid   56 and name C)  (segid A and resid   57 and name N)
       (segid A and resid   57 and name CA) (segid A and resid   57 and name C) 1.0 -121.0   58.0 2
! psi segid A and residue     57
assign (segid A and resid   57 and name N)  (segid A and resid   57 and name CA)
       (segid A and resid   57 and name C)  (segid A and resid   58 and name N) 1.0  129.0   62.0 2
! phi segid A and residue     60
assign (segid A and resid   59 and name C)  (segid A and resid   60 and name N)
       (segid A and resid   60 and name CA) (segid A and resid   60 and name C) 1.0 -116.0   42.0 2
! psi segid A and residue     60
assign (segid A and resid   60 and name N)  (segid A and resid   60 and name CA)
       (segid A and resid   60 and name C)  (segid A and resid   61 and name N) 1.0  134.0   24.0 2
! phi segid A and residue     61
assign (segid A and resid   60 and name C)  (segid A and resid   61 and name N)
       (segid A and resid   61 and name CA) (segid A and resid   61 and name C) 1.0 -120.0   30.0 2
! psi segid A and residue     61
assign (segid A and resid   61 and name N)  (segid A and resid   61 and name CA)
       (segid A and resid   61 and name C)  (segid A and resid   62 and name N) 1.0  142.0   32.0 2
! phi segid A and residue     62
assign (segid A and resid   61 and name C)  (segid A and resid   62 and name N)
       (segid A and resid   62 and name CA) (segid A and resid   62 and name C) 1.0 -124.0   22.0 2
! psi segid A and residue     62
assign (segid A and resid   62 and name N)  (segid A and resid   62 and name CA)
       (segid A and resid   62 and name C)  (segid A and resid   63 and name N) 1.0  141.0   24.0 2
! phi segid A and residue     63
assign (segid A and resid   62 and name C)  (segid A and resid   63 and name N)
       (segid A and resid   63 and name CA) (segid A and resid   63 and name C) 1.0 -118.0   20.0 2
! psi segid A and residue     63
assign (segid A and resid   63 and name N)  (segid A and resid   63 and name CA)
       (segid A and resid   63 and name C)  (segid A and resid   64 and name N) 1.0  135.0   30.0 2
! phi segid A and residue     64
assign (segid A and resid   63 and name C)  (segid A and resid   64 and name N)
       (segid A and resid   64 and name CA) (segid A and resid   64 and name C) 1.0 -116.0   26.0 2
! psi segid A and residue     64
assign (segid A and resid   64 and name N)  (segid A and resid   64 and name CA)
       (segid A and resid   64 and name C)  (segid A and resid   65 and name N) 1.0  133.0   40.0 2
! phi segid A and residue     65
assign (segid A and resid   64 and name C)  (segid A and resid   65 and name N)
       (segid A and resid   65 and name CA) (segid A and resid   65 and name C) 1.0 -123.0   26.0 2
! psi segid A and residue     65
assign (segid A and resid   65 and name N)  (segid A and resid   65 and name CA)
       (segid A and resid   65 and name C)  (segid A and resid   66 and name N) 1.0  145.0   38.0 2
! phi segid A and residue     66
assign (segid A and resid   65 and name C)  (segid A and resid   66 and name N)
       (segid A and resid   66 and name CA) (segid A and resid   66 and name C) 1.0 -119.0   26.0 2
! psi segid A and residue     66
assign (segid A and resid   66 and name N)  (segid A and resid   66 and name CA)
       (segid A and resid   66 and name C)  (segid A and resid   67 and name N) 1.0  146.0   20.0 2
! phi segid A and residue     67
assign (segid A and resid   66 and name C)  (segid A and resid   67 and name N)
       (segid A and resid   67 and name CA) (segid A and resid   67 and name C) 1.0 -124.0   42.0 2
! psi segid A and residue     67
assign (segid A and resid   67 and name N)  (segid A and resid   67 and name CA)
       (segid A and resid   67 and name C)  (segid A and resid   68 and name N) 1.0  137.0   36.0 2
! phi segid A and residue     68
assign (segid A and resid   67 and name C)  (segid A and resid   68 and name N)
       (segid A and resid   68 and name CA) (segid A and resid   68 and name C) 1.0  -93.0   22.0 2
! psi segid A and residue     68
assign (segid A and resid   68 and name N)  (segid A and resid   68 and name CA)
       (segid A and resid   68 and name C)  (segid A and resid   69 and name N) 1.0  111.0   36.0 2
! phi segid A and residue     72
assign (segid A and resid   71 and name C)  (segid A and resid   72 and name N)
       (segid A and resid   72 and name CA) (segid A and resid   72 and name C) 1.0  -62.0   20.0 2
! psi segid A and residue     72
assign (segid A and resid   72 and name N)  (segid A and resid   72 and name CA)
       (segid A and resid   72 and name C)  (segid A and resid   73 and name N) 1.0  -34.0   28.0 2
! phi segid A and residue     73
assign (segid A and resid   72 and name C)  (segid A and resid   73 and name N)
       (segid A and resid   73 and name CA) (segid A and resid   73 and name C) 1.0  -73.0   36.0 2
! psi segid A and residue     73
assign (segid A and resid   73 and name N)  (segid A and resid   73 and name CA)
       (segid A and resid   73 and name C)  (segid A and resid   74 and name N) 1.0  -28.0   54.0 2
! phi segid A and residue     75
assign (segid A and resid   74 and name C)  (segid A and resid   75 and name N)
       (segid A and resid   75 and name CA) (segid A and resid   75 and name C) 1.0  -74.0   44.0 2
! psi segid A and residue     75
assign (segid A and resid   75 and name N)  (segid A and resid   75 and name CA)
       (segid A and resid   75 and name C)  (segid A and resid   76 and name N) 1.0  -16.0   44.0 2
! phi segid A and residue     76
assign (segid A and resid   75 and name C)  (segid A and resid   76 and name N)
       (segid A and resid   76 and name CA) (segid A and resid   76 and name C) 1.0  -83.0   50.0 2
! psi segid A and residue     76
assign (segid A and resid   76 and name N)  (segid A and resid   76 and name CA)
       (segid A and resid   76 and name C)  (segid A and resid   77 and name N) 1.0   -3.0   48.0 2
! phi segid A and residue     77
assign (segid A and resid   76 and name C)  (segid A and resid   77 and name N)
       (segid A and resid   77 and name CA) (segid A and resid   77 and name C) 1.0  -80.0   26.0 2
! psi segid A and residue     77
assign (segid A and resid   77 and name N)  (segid A and resid   77 and name CA)
       (segid A and resid   77 and name C)  (segid A and resid   78 and name N) 1.0    3.0   48.0 2
! phi segid A and residue     79
assign (segid A and resid   78 and name C)  (segid A and resid   79 and name N)
       (segid A and resid   79 and name CA) (segid A and resid   79 and name C) 1.0  -69.0   22.0 2
! psi segid A and residue     79
assign (segid A and resid   79 and name N)  (segid A and resid   79 and name CA)
       (segid A and resid   79 and name C)  (segid A and resid   80 and name N) 1.0  -26.0   22.0 2
! phi segid A and residue     80
assign (segid A and resid   79 and name C)  (segid A and resid   80 and name N)
       (segid A and resid   80 and name CA) (segid A and resid   80 and name C) 1.0  -79.0   20.0 2
! psi segid A and residue     80
assign (segid A and resid   80 and name N)  (segid A and resid   80 and name CA)
       (segid A and resid   80 and name C)  (segid A and resid   81 and name N) 1.0  -21.0   24.0 2
! phi segid A and residue     92
assign (segid A and resid   91 and name C)  (segid A and resid   92 and name N)
       (segid A and resid   92 and name CA) (segid A and resid   92 and name C) 1.0 -139.0   50.0 2
! psi segid A and residue     92
assign (segid A and resid   92 and name N)  (segid A and resid   92 and name CA)
       (segid A and resid   92 and name C)  (segid A and resid   93 and name N) 1.0  148.0   34.0 2
! phi segid A and residue     93
assign (segid A and resid   92 and name C)  (segid A and resid   93 and name N)
       (segid A and resid   93 and name CA) (segid A and resid   93 and name C) 1.0 -124.0   38.0 2
! psi segid A and residue     93
assign (segid A and resid   93 and name N)  (segid A and resid   93 and name CA)
       (segid A and resid   93 and name C)  (segid A and resid   94 and name N) 1.0  140.0   28.0 2
! phi segid A and residue     94
assign (segid A and resid   93 and name C)  (segid A and resid   94 and name N)
       (segid A and resid   94 and name CA) (segid A and resid   94 and name C) 1.0 -126.0   24.0 2
! psi segid A and residue     94
assign (segid A and resid   94 and name N)  (segid A and resid   94 and name CA)
       (segid A and resid   94 and name C)  (segid A and resid   95 and name N) 1.0  141.0   30.0 2
! phi segid A and residue     96
assign (segid A and resid   95 and name C)  (segid A and resid   96 and name N)
       (segid A and resid   96 and name CA) (segid A and resid   96 and name C) 1.0 -138.0   22.0 2
! psi segid A and residue     96
assign (segid A and resid   96 and name N)  (segid A and resid   96 and name CA)
       (segid A and resid   96 and name C)  (segid A and resid   97 and name N) 1.0  152.0   30.0 2
! phi segid A and residue    103
assign (segid A and resid  102 and name C)  (segid A and resid  103 and name N)
       (segid A and resid  103 and name CA) (segid A and resid  103 and name C) 1.0 -109.0   42.0 2
! psi segid A and residue    103
assign (segid A and resid  103 and name N)  (segid A and resid  103 and name CA)
       (segid A and resid  103 and name C)  (segid A and resid  104 and name N) 1.0  128.0   52.0 2
! phi segid A and residue    104
assign (segid A and resid  103 and name C)  (segid A and resid  104 and name N)
       (segid A and resid  104 and name CA) (segid A and resid  104 and name C) 1.0  -95.0   34.0 2
! psi segid A and residue    104
assign (segid A and resid  104 and name N)  (segid A and resid  104 and name CA)
       (segid A and resid  104 and name C)  (segid A and resid  105 and name N) 1.0  134.0   20.0 2
! phi segid A and residue    105
assign (segid A and resid  104 and name C)  (segid A and resid  105 and name N)
       (segid A and resid  105 and name CA) (segid A and resid  105 and name C) 1.0 -119.0   48.0 2
! psi segid A and residue    105
assign (segid A and resid  105 and name N)  (segid A and resid  105 and name CA)
       (segid A and resid  105 and name C)  (segid A and resid  106 and name N) 1.0  141.0   54.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   5          3HT       LEU   5 -13.005  29.483 -23.275
    2    H2   LEU   5          2HT       LEU   5 -12.113  30.079 -24.541
    3    H3   LEU   5          1HT       LEU   5 -13.333  28.920 -24.833
    4    HA   LEU   5           HA       LEU   5 -12.081  27.303 -23.585
    5   1HB   LEU   5          2HB       LEU   5 -10.465  28.709 -25.736
    6   2HB   LEU   5          1HB       LEU   5 -10.022  27.166 -25.050
    7    HG   LEU   5           HG       LEU   5 -10.931  26.753 -27.158
    8   1HD1  LEU   5          1HD1      LEU   5 -13.044  26.103 -25.153
    9   2HD1  LEU   5          3HD1      LEU   5 -12.902  25.403 -26.762
   10   3HD1  LEU   5          2HD1      LEU   5 -11.626  25.144 -25.577
   11   1HD2  LEU   5          3HD2      LEU   5 -12.052  28.880 -27.520
   12   2HD2  LEU   5          2HD2      LEU   5 -13.088  27.528 -27.972
   13   3HD2  LEU   5          1HD2      LEU   5 -13.367  28.397 -26.459
   14    MD1  LEU   5           QD1      LEU   5 -12.524  25.550 -25.831
   15    MD2  LEU   5           QD2      LEU   5 -12.836  28.269 -27.317
   16    QB   LEU   5           QB       LEU   5 -10.244  27.937 -25.393
   17    QD   LEU   5           QQD      LEU   5 -12.680  26.909 -26.574
   18    H    GLU   6           H        GLU   6 -10.823  27.029 -21.857
   19    HA   GLU   6           HA       GLU   6  -8.976  29.153 -21.199
   20   1HB   GLU   6          2HB       GLU   6 -10.939  28.958 -19.630
   21   2HB   GLU   6          1HB       GLU   6 -10.347  27.311 -19.358
   22   1HG   GLU   6          2HG       GLU   6  -9.844  28.974 -17.629
   23   2HG   GLU   6          1HG       GLU   6  -8.429  28.095 -18.244
   24    QB   GLU   6           QB       GLU   6 -10.643  28.135 -19.494
   25    QG   GLU   6           QG       GLU   6  -9.137  28.534 -17.937
   26    H    ALA   7           H        ALA   7  -7.040  28.514 -20.320
   27    HA   ALA   7           HA       ALA   7  -6.090  26.036 -21.486
   28   1HB   ALA   7          1HB       ALA   7  -4.537  28.169 -20.024
   29   2HB   ALA   7          3HB       ALA   7  -3.859  26.836 -20.964
   30   3HB   ALA   7          2HB       ALA   7  -4.793  28.099 -21.765
   31    MB   ALA   7           QB       ALA   7  -4.396  27.701 -20.918
   32    H    ASP   8           H        ASP   8  -5.431  24.273 -20.428
   33    HA   ASP   8           HA       ASP   8  -6.198  24.016 -17.664
   34   1HB   ASP   8          2HB       ASP   8  -6.615  22.147 -19.230
   35   2HB   ASP   8          1HB       ASP   8  -4.886  22.006 -19.520
   36    QB   ASP   8           QB       ASP   8  -5.750  22.077 -19.375
   37    H    VAL   9           H        VAL   9  -4.748  23.325 -15.977
   38    HA   VAL   9           HA       VAL   9  -2.528  24.813 -15.889
   39    HB   VAL   9           HB       VAL   9  -2.009  23.676 -13.720
   40   1HG1  VAL   9          3HG1      VAL   9  -4.841  24.625 -14.155
   41   2HG1  VAL   9          2HG1      VAL   9  -4.027  24.522 -12.594
   42   3HG1  VAL   9          1HG1      VAL   9  -3.443  25.644 -13.825
   43   1HG2  VAL   9          3HG2      VAL   9  -4.466  22.153 -14.469
   44   2HG2  VAL   9          2HG2      VAL   9  -2.838  21.498 -14.304
   45   3HG2  VAL   9          1HG2      VAL   9  -3.703  22.099 -12.867
   46    MG1  VAL   9           QG1      VAL   9  -4.104  24.931 -13.525
   47    MG2  VAL   9           QG2      VAL   9  -3.669  21.917 -13.880
   48    QG   VAL   9           QQG      VAL   9  -3.886  23.424 -13.702
   49    H    THR  10           H        THR  10  -2.967  21.629 -17.099
   50    HA   THR  10           HA       THR  10  -1.703  20.018 -17.915
   51    HB   THR  10           HB       THR  10   0.412  20.467 -18.867
   52    HG1  THR  10          1HG       THR  10   0.320  22.730 -17.311
   53   1HG2  THR  10          3HG2      THR  10  -1.677  22.528 -19.537
   54   2HG2  THR  10          2HG2      THR  10  -0.308  22.149 -20.579
   55   3HG2  THR  10          1HG2      THR  10  -1.504  20.908 -20.210
   56    MG   THR  10           QG2      THR  10  -1.163  21.862 -20.109
   57    H    MET  11           H        MET  11   1.179  19.491 -17.570
   58    HA   MET  11           HA       MET  11   0.804  18.154 -15.115
   59   1HB   MET  11          2HB       MET  11   3.094  18.247 -17.068
   60   2HB   MET  11          1HB       MET  11   3.187  17.353 -15.563
   61   1HG   MET  11          2HG       MET  11   2.649  15.818 -17.295
   62   2HG   MET  11          1HG       MET  11   1.206  16.080 -16.316
   63   1HE   MET  11          2HE       MET  11   2.811  18.282 -19.186
   64   2HE   MET  11          1HE       MET  11   2.932  16.636 -19.802
   65   3HE   MET  11          3HE       MET  11   1.840  17.786 -20.571
   66    QB   MET  11           QB       MET  11   3.140  17.800 -16.316
   67    QG   MET  11           QG       MET  11   1.927  15.949 -16.805
   68    ME   MET  11           QE       MET  11   2.527  17.568 -19.853
   69    H    THR  12           H        THR  12   0.632  19.641 -13.523
   70    HA   THR  12           HA       THR  12   3.073  21.104 -12.849
   71    HB   THR  12           HB       THR  12   1.695  22.437 -11.451
   72    HG1  THR  12          1HG       THR  12  -0.547  22.440 -11.673
   73   1HG2  THR  12          3HG2      THR  12   2.447  23.295 -13.557
   74   2HG2  THR  12          2HG2      THR  12   1.090  22.554 -14.394
   75   3HG2  THR  12          1HG2      THR  12   0.815  23.890 -13.280
   76    MG   THR  12           QG2      THR  12   1.450  23.246 -13.744
   77    H    GLY  13           H        GLY  13   4.174  19.825 -11.691
   78   1HA   GLY  13          1HA       GLY  13   3.425  17.791 -10.062
   79   2HA   GLY  13          2HA       GLY  13   3.330  19.245  -9.061
   80    QA   GLY  13           QA       GLY  13   3.377  18.518  -9.561
   81    H    SER  14           H        SER  14   5.169  20.361  -8.626
   82    HA   SER  14           HA       SER  14   7.665  19.570  -9.794
   83   1HB   SER  14          2HB       SER  14   7.118  21.527  -7.560
   84   2HB   SER  14          1HB       SER  14   8.592  21.408  -8.526
   85    HG   SER  14           HG       SER  14   6.550  21.610 -10.202
   86    QB   SER  14           QB       SER  14   7.855  21.467  -8.043
   87    H    ASP  15           H        ASP  15   6.014  19.125  -6.583
   88    HA   ASP  15           HA       ASP  15   8.240  17.560  -5.852
   89   1HB   ASP  15          2HB       ASP  15   7.531  18.290  -3.561
   90   2HB   ASP  15          1HB       ASP  15   8.633  19.345  -4.441
   91    QB   ASP  15           QB       ASP  15   8.082  18.817  -4.001
   92    H    LEU  16           H        LEU  16   6.500  16.268  -6.996
   93    HA   LEU  16           HA       LEU  16   5.453  14.752  -4.772
   94   1HB   LEU  16          2HB       LEU  16   4.629  14.579  -7.651
   95   2HB   LEU  16          1HB       LEU  16   4.052  13.557  -6.352
   96    HG   LEU  16           HG       LEU  16   2.376  14.943  -6.852
   97   1HD1  LEU  16          1HD1      LEU  16   3.687  16.213  -4.471
   98   2HD1  LEU  16          3HD1      LEU  16   1.994  16.434  -4.923
   99   3HD1  LEU  16          2HD1      LEU  16   2.585  14.832  -4.484
  100   1HD2  LEU  16          2HD2      LEU  16   4.269  17.230  -6.964
  101   2HD2  LEU  16          1HD2      LEU  16   3.357  16.410  -8.250
  102   3HD2  LEU  16          3HD2      LEU  16   2.496  17.391  -7.064
  103    MD1  LEU  16           QD1      LEU  16   2.755  15.827  -4.626
  104    MD2  LEU  16           QD2      LEU  16   3.374  17.010  -7.426
  105    QB   LEU  16           QB       LEU  16   4.341  14.068  -7.002
  106    QD   LEU  16           QQD      LEU  16   3.065  16.418  -6.026
  107    H    VAL  17           H        VAL  17   5.555  12.589  -4.992
  108    HA   VAL  17           HA       VAL  17   7.722  11.663  -6.400
  109    HB   VAL  17           HB       VAL  17   7.686  11.962  -3.404
  110   1HG1  VAL  17          1HG1      VAL  17   9.125  10.029  -5.027
  111   2HG1  VAL  17          3HG1      VAL  17   9.654  10.458  -3.371
  112   3HG1  VAL  17          2HG1      VAL  17   8.020   9.730  -3.620
  113   1HG2  VAL  17          2HG2      VAL  17   8.945  13.609  -4.806
  114   2HG2  VAL  17          1HG2      VAL  17   9.947  12.724  -3.642
  115   3HG2  VAL  17          3HG2      VAL  17   9.965  12.273  -5.334
  116    MG1  VAL  17           QG1      VAL  17   8.933  10.072  -4.006
  117    MG2  VAL  17           QG2      VAL  17   9.619  12.869  -4.594
  118    QG   VAL  17           QQG      VAL  17   9.276  11.470  -4.300
  119    H    SER  18           H        SER  18   7.561   9.358  -6.342
  120    HA   SER  18           HA       SER  18   5.106   8.241  -5.205
  121   1HB   SER  18          2HB       SER  18   4.827   8.760  -7.643
  122   2HB   SER  18          1HB       SER  18   6.159   7.657  -7.984
  123    HG   SER  18           HG       SER  18   3.865   6.891  -6.547
  124    QB   SER  18           QB       SER  18   5.493   8.208  -7.814
  125    H    CYS  19           H        CYS  19   5.835   6.865  -3.755
  126    HA   CYS  19           HA       CYS  19   8.167   5.227  -4.318
  127   1HB   CYS  19          2HB       CYS  19   6.429   5.448  -1.839
  128   2HB   CYS  19          1HB       CYS  19   7.843   4.410  -1.982
  129    HG   CYS  19           HG       CYS  19   9.497   6.157  -1.142
  130    QB   CYS  19           QB       CYS  19   7.136   4.929  -1.910
  131    H    CYS  20           H        CYS  20   7.951   3.221  -5.037
  132    HA   CYS  20           HA       CYS  20   5.208   2.158  -5.276
  133   1HB   CYS  20          2HB       CYS  20   7.489   1.880  -7.250
  134   2HB   CYS  20          1HB       CYS  20   5.841   1.302  -7.466
  135    HG   CYS  20           HG       CYS  20   6.785   4.562  -7.233
  136    QB   CYS  20           QB       CYS  20   6.665   1.591  -7.358
  137    H    TYR  21           H        TYR  21   5.192   0.268  -3.918
  138    HA   TYR  21           HA       TYR  21   7.834  -0.968  -3.719
  139   1HB   TYR  21          2HB       TYR  21   7.658  -1.328  -1.474
  140   2HB   TYR  21          1HB       TYR  21   7.074   0.284  -1.750
  141    HD1  TYR  21          1HD       TYR  21   5.538  -3.134  -1.283
  142    HD2  TYR  21          2HD       TYR  21   5.473   1.035  -0.464
  143    HE1  TYR  21          1HE       TYR  21   3.660  -3.458   0.296
  144    HE2  TYR  21          2HE       TYR  21   3.657   0.728   1.056
  145    HH   TYR  21           HH       TYR  21   1.814  -0.983   1.471
  146    QB   TYR  21           QB       TYR  21   7.366  -0.522  -1.612
  147    QD   TYR  21           QD       TYR  21   5.505  -1.049  -0.874
  148    QE   TYR  21           QE       TYR  21   3.658  -1.365   0.676
  149    QR   TYR  21           QR       TYR  21   4.582  -1.207  -0.099
  150    H    ARG  22           H        ARG  22   7.898  -3.146  -3.179
  151    HA   ARG  22           HA       ARG  22   5.580  -4.740  -4.074
  152   1HB   ARG  22          2HB       ARG  22   7.645  -4.656  -5.583
  153   2HB   ARG  22          1HB       ARG  22   8.528  -5.433  -4.287
  154   1HG   ARG  22          2HG       ARG  22   6.152  -6.654  -5.703
  155   2HG   ARG  22          1HG       ARG  22   7.826  -6.937  -6.150
  156   1HD   ARG  22          2HD       ARG  22   6.543  -7.635  -3.509
  157   2HD   ARG  22          1HD       ARG  22   6.895  -8.773  -4.802
  158    HE   ARG  22           HE       ARG  22   8.877  -7.405  -3.092
  159   1HH1  ARG  22          1HH1      ARG  22   8.133  -9.964  -5.442
  160   2HH1  ARG  22          2HH1      ARG  22   9.497 -10.895  -5.071
  161   1HH2  ARG  22          1HH2      ARG  22  10.746  -8.720  -2.573
  162   2HH2  ARG  22          2HH2      ARG  22  11.044 -10.172  -3.408
  163    QB   ARG  22           QB       ARG  22   8.086  -5.045  -4.935
  164    QG   ARG  22           QG       ARG  22   6.989  -6.795  -5.926
  165    QD   ARG  22           QD       ARG  22   6.719  -8.204  -4.156
  166    QH1  ARG  22           QH1      ARG  22   8.815 -10.429  -5.256
  167    QH2  ARG  22           QH2      ARG  22  10.895  -9.446  -2.990
  168    H    SER  23           H        SER  23   4.820  -6.034  -2.456
  169    HA   SER  23           HA       SER  23   6.721  -6.908  -0.437
  170   1HB   SER  23          2HB       SER  23   5.442  -4.891   0.380
  171   2HB   SER  23          1HB       SER  23   4.041  -5.957   0.227
  172    HG   SER  23           HG       SER  23   5.419  -5.795   2.357
  173    QB   SER  23           QB       SER  23   4.742  -5.424   0.303
  174    H    LEU  24           H        LEU  24   5.669  -8.637   0.947
  175    HA   LEU  24           HA       LEU  24   4.043 -10.362  -0.845
  176   1HB   LEU  24          2HB       LEU  24   6.372 -11.336   0.818
  177   2HB   LEU  24          1HB       LEU  24   5.299 -12.355  -0.098
  178    HG   LEU  24           HG       LEU  24   7.321 -12.240  -1.272
  179   1HD1  LEU  24          3HD1      LEU  24   5.386 -10.406  -2.629
  180   2HD1  LEU  24          2HD1      LEU  24   6.752 -11.209  -3.401
  181   3HD1  LEU  24          1HD1      LEU  24   5.441 -12.167  -2.713
  182   1HD2  LEU  24          1HD2      LEU  24   8.293 -10.274  -0.219
  183   2HD2  LEU  24          3HD2      LEU  24   8.395 -10.172  -1.986
  184   3HD2  LEU  24          2HD2      LEU  24   7.159  -9.256  -1.133
  185    MD1  LEU  24           QD1      LEU  24   5.860 -11.261  -2.914
  186    MD2  LEU  24           QD2      LEU  24   7.949  -9.901  -1.113
  187    QB   LEU  24           QB       LEU  24   5.836 -11.846   0.360
  188    QD   LEU  24           QQD      LEU  24   6.904 -10.581  -2.013
  189    H    ALA  25           H        ALA  25   2.901  -8.933   1.149
  190    HA   ALA  25           HA       ALA  25   1.905  -8.988   3.328
  191   1HB   ALA  25          2HB       ALA  25   0.397 -11.030   1.718
  192   2HB   ALA  25          3HB       ALA  25   0.317  -9.272   1.513
  193   3HB   ALA  25          1HB       ALA  25  -0.230 -10.008   3.022
  194    MB   ALA  25           QB       ALA  25   0.161 -10.103   2.084
  195    H    ALA  26           H        ALA  26   2.666  -9.764   5.341
  196    HA   ALA  26           HA       ALA  26   3.830 -12.272   5.293
  197   1HB   ALA  26          1HB       ALA  26   4.193 -11.852   7.711
  198   2HB   ALA  26          3HB       ALA  26   4.710 -10.536   6.644
  199   3HB   ALA  26          2HB       ALA  26   3.188 -10.402   7.542
  200    MB   ALA  26           QB       ALA  26   4.030 -10.930   7.299
  201    HA   PRO  27           HA       PRO  27   0.340 -14.926   6.463
  202   1HB   PRO  27          2HB       PRO  27   1.709 -16.680   8.043
  203   2HB   PRO  27          1HB       PRO  27   1.847 -16.678   6.275
  204   1HG   PRO  27          2HG       PRO  27   3.505 -15.071   8.207
  205   2HG   PRO  27          1HG       PRO  27   4.139 -16.344   7.081
  206   1HD   PRO  27          2HD       PRO  27   4.310 -13.908   6.430
  207   2HD   PRO  27          1HD       PRO  27   3.422 -14.931   5.266
  208    QB   PRO  27           QB       PRO  27   1.778 -16.679   7.159
  209    QG   PRO  27           QG       PRO  27   3.822 -15.707   7.644
  210    QD   PRO  27           QD       PRO  27   3.866 -14.420   5.848
  211    H    ASP  28           H        ASP  28   2.008 -13.070   8.528
  212    HA   ASP  28           HA       ASP  28   0.720 -13.732  11.040
  213   1HB   ASP  28          2HB       ASP  28   2.697 -11.606  10.206
  214   2HB   ASP  28          1HB       ASP  28   1.991 -11.658  11.811
  215    QB   ASP  28           QB       ASP  28   2.344 -11.632  11.008
  216    H    LEU  29           H        LEU  29   0.054 -11.943   8.308
  217    HA   LEU  29           HA       LEU  29  -1.374  -9.764   9.420
  218   1HB   LEU  29          2HB       LEU  29  -1.122 -10.979   6.741
  219   2HB   LEU  29          1HB       LEU  29  -2.341  -9.736   7.045
  220    HG   LEU  29           HG       LEU  29   0.615  -9.444   7.452
  221   1HD1  LEU  29          2HD1      LEU  29  -1.192  -8.536   5.209
  222   2HD1  LEU  29          1HD1      LEU  29   0.531  -8.124   5.374
  223   3HD1  LEU  29          3HD1      LEU  29   0.064  -9.792   5.106
  224   1HD2  LEU  29          1HD2      LEU  29  -1.686  -7.490   7.472
  225   2HD2  LEU  29          3HD2      LEU  29  -0.663  -7.930   8.850
  226   3HD2  LEU  29          2HD2      LEU  29   0.010  -7.047   7.476
  227    MD1  LEU  29           QD1      LEU  29  -0.199  -8.817   5.230
  228    MD2  LEU  29           QD2      LEU  29  -0.779  -7.489   7.933
  229    QB   LEU  29           QB       LEU  29  -1.731 -10.358   6.893
  230    QD   LEU  29           QQD      LEU  29  -0.489  -8.153   6.581
  231    H    THR  30           H        THR  30  -3.431  -9.530   9.790
  232    HA   THR  30           HA       THR  30  -5.230 -11.714   9.167
  233    HB   THR  30           HB       THR  30  -6.637 -10.508  10.814
  234    HG1  THR  30          1HG       THR  30  -5.137  -9.601  12.554
  235   1HG2  THR  30          2HG2      THR  30  -4.242 -12.081  11.587
  236   2HG2  THR  30          1HG2      THR  30  -5.647 -11.733  12.663
  237   3HG2  THR  30          3HG2      THR  30  -5.902 -12.598  11.150
  238    MG   THR  30           QG2      THR  30  -5.264 -12.137  11.800
  239    H    LEU  31           H        LEU  31  -7.212 -11.108   8.430
  240    HA   LEU  31           HA       LEU  31  -7.521  -9.011   6.602
  241   1HB   LEU  31          2HB       LEU  31  -8.954 -11.049   7.019
  242   2HB   LEU  31          1HB       LEU  31  -9.417 -10.102   8.451
  243    HG   LEU  31           HG       LEU  31 -10.453  -8.403   7.082
  244   1HD1  LEU  31          1HD1      LEU  31  -9.061  -8.560   5.107
  245   2HD1  LEU  31          3HD1      LEU  31  -9.795 -10.123   4.701
  246   3HD1  LEU  31          2HD1      LEU  31 -10.776  -8.643   4.727
  247   1HD2  LEU  31          2HD2      LEU  31 -11.804 -10.226   7.858
  248   2HD2  LEU  31          1HD2      LEU  31 -12.370  -9.678   6.273
  249   3HD2  LEU  31          3HD2      LEU  31 -11.425 -11.164   6.419
  250    MD1  LEU  31           QD1      LEU  31  -9.877  -9.109   4.845
  251    MD2  LEU  31           QD2      LEU  31 -11.866 -10.356   6.850
  252    QB   LEU  31           QB       LEU  31  -9.185 -10.575   7.735
  253    QD   LEU  31           QQD      LEU  31 -10.872  -9.732   5.848
  254    H    ARG  32           H        ARG  32  -8.097  -9.215  10.113
  255    HA   ARG  32           HA       ARG  32  -9.416  -6.714  10.080
  256   1HB   ARG  32          2HB       ARG  32  -9.741  -8.249  11.982
  257   2HB   ARG  32          1HB       ARG  32  -8.067  -7.985  12.470
  258   1HG   ARG  32          2HG       ARG  32  -9.471  -6.560  13.829
  259   2HG   ARG  32          1HG       ARG  32  -8.550  -5.586  12.669
  260   1HD   ARG  32          2HD       ARG  32 -10.556  -5.594  11.158
  261   2HD   ARG  32          1HD       ARG  32 -11.456  -6.336  12.475
  262    HE   ARG  32           HE       ARG  32 -10.559  -4.263  13.738
  263   1HH1  ARG  32          1HH1      ARG  32 -11.902  -4.436  10.463
  264   2HH1  ARG  32          2HH1      ARG  32 -12.259  -2.774  10.387
  265   1HH2  ARG  32          1HH2      ARG  32 -11.144  -1.950  13.609
  266   2HH2  ARG  32          2HH2      ARG  32 -11.845  -1.369  12.166
  267    QB   ARG  32           QB       ARG  32  -8.904  -8.117  12.226
  268    QG   ARG  32           QG       ARG  32  -9.010  -6.073  13.249
  269    QD   ARG  32           QD       ARG  32 -11.006  -5.965  11.817
  270    QH1  ARG  32           QH1      ARG  32 -12.081  -3.605  10.425
  271    QH2  ARG  32           QH2      ARG  32 -11.494  -1.660  12.887
  272    H    ASP  33           H        ASP  33  -6.080  -7.660  10.342
  273    HA   ASP  33           HA       ASP  33  -5.085  -5.119  11.080
  274   1HB   ASP  33          2HB       ASP  33  -3.874  -7.493  10.991
  275   2HB   ASP  33          1HB       ASP  33  -3.481  -6.993   9.353
  276    QB   ASP  33           QB       ASP  33  -3.678  -7.243  10.172
  277    H    LEU  34           H        LEU  34  -5.815  -6.667   7.882
  278    HA   LEU  34           HA       LEU  34  -4.761  -4.439   6.358
  279   1HB   LEU  34          2HB       LEU  34  -6.904  -6.412   5.559
  280   2HB   LEU  34          1HB       LEU  34  -6.333  -5.145   4.513
  281    HG   LEU  34           HG       LEU  34  -5.343  -7.146   3.806
  282   1HD1  LEU  34          1HD1      LEU  34  -3.844  -5.260   3.749
  283   2HD1  LEU  34          3HD1      LEU  34  -3.275  -5.649   5.375
  284   3HD1  LEU  34          2HD1      LEU  34  -2.984  -6.769   4.044
  285   1HD2  LEU  34          2HD2      LEU  34  -5.777  -8.299   5.876
  286   2HD2  LEU  34          1HD2      LEU  34  -4.142  -8.645   5.216
  287   3HD2  LEU  34          3HD2      LEU  34  -4.356  -7.512   6.566
  288    MD1  LEU  34           QD1      LEU  34  -3.368  -5.892   4.390
  289    MD2  LEU  34           QD2      LEU  34  -4.758  -8.152   5.886
  290    QB   LEU  34           QB       LEU  34  -6.618  -5.779   5.036
  291    QD   LEU  34           QQD      LEU  34  -4.063  -7.022   5.138
  292    H    LEU  35           H        LEU  35  -7.851  -5.186   7.624
  293    HA   LEU  35           HA       LEU  35  -9.217  -3.026   6.406
  294   1HB   LEU  35          2HB       LEU  35  -9.882  -4.949   8.595
  295   2HB   LEU  35          1HB       LEU  35 -10.950  -3.597   8.276
  296    HG   LEU  35           HG       LEU  35 -11.513  -5.863   7.188
  297   1HD1  LEU  35          2HD1      LEU  35 -11.231  -3.377   5.473
  298   2HD1  LEU  35          1HD1      LEU  35 -12.306  -4.733   5.136
  299   3HD1  LEU  35          3HD1      LEU  35 -12.573  -3.730   6.558
  300   1HD2  LEU  35          2HD2      LEU  35  -9.278  -4.944   5.393
  301   2HD2  LEU  35          1HD2      LEU  35  -9.251  -6.377   6.347
  302   3HD2  LEU  35          3HD2      LEU  35 -10.389  -6.277   4.986
  303    MD1  LEU  35           QD1      LEU  35 -12.036  -3.947   5.722
  304    MD2  LEU  35           QD2      LEU  35  -9.639  -5.866   5.575
  305    QB   LEU  35           QB       LEU  35 -10.416  -4.273   8.436
  306    QD   LEU  35           QQD      LEU  35 -10.838  -4.906   5.649
  307    H    ASP  36           H        ASP  36  -7.551  -3.368   9.299
  308    HA   ASP  36           HA       ASP  36  -8.235  -0.709  10.245
  309   1HB   ASP  36          2HB       ASP  36  -7.595  -2.238  11.918
  310   2HB   ASP  36          1HB       ASP  36  -6.090  -2.657  11.101
  311    QB   ASP  36           QB       ASP  36  -6.842  -2.448  11.510
  312    H    ILE  37           H        ILE  37  -5.416  -2.127   8.633
  313    HA   ILE  37           HA       ILE  37  -3.796   0.066   8.296
  314    HB   ILE  37           HB       ILE  37  -4.329  -2.286   6.462
  315   1HG1  ILE  37          2HG1      ILE  37  -1.704  -1.683   7.717
  316   2HG1  ILE  37          1HG1      ILE  37  -2.920  -2.379   8.750
  317   1HG2  ILE  37          3HG2      ILE  37  -3.656  -0.482   4.987
  318   2HG2  ILE  37          2HG2      ILE  37  -2.234  -0.172   5.986
  319   3HG2  ILE  37          1HG2      ILE  37  -2.376  -1.691   5.101
  320   1HD1  ILE  37          1HD1      ILE  37  -1.862  -3.561   6.175
  321   2HD1  ILE  37          3HD1      ILE  37  -1.426  -4.075   7.797
  322   3HD1  ILE  37          2HD1      ILE  37  -3.054  -4.337   7.223
  323    MG   ILE  37           QG2      ILE  37  -2.756  -0.782   5.358
  324    MD   ILE  37           QD1      ILE  37  -2.114  -3.991   7.065
  325    QG   ILE  37           QG1      ILE  37  -2.312  -2.031   8.233
  326    H    VAL  38           H        VAL  38  -6.334  -1.036   6.047
  327    HA   VAL  38           HA       VAL  38  -6.062   1.005   4.207
  328    HB   VAL  38           HB       VAL  38  -7.380  -0.954   3.580
  329   1HG1  VAL  38          1HG1      VAL  38  -8.247  -1.516   5.664
  330   2HG1  VAL  38          3HG1      VAL  38  -9.412  -0.181   5.609
  331   3HG1  VAL  38          2HG1      VAL  38  -9.493  -1.503   4.422
  332   1HG2  VAL  38          1HG2      VAL  38  -9.105   1.512   3.609
  333   2HG2  VAL  38          3HG2      VAL  38  -7.995   1.011   2.330
  334   3HG2  VAL  38          2HG2      VAL  38  -9.435   0.062   2.677
  335    MG1  VAL  38           QG1      VAL  38  -9.050  -1.067   5.231
  336    MG2  VAL  38           QG2      VAL  38  -8.845   0.862   2.872
  337    QG   VAL  38           QQG      VAL  38  -8.948  -0.102   4.052
  338    H    GLU  39           H        GLU  39  -8.238   0.935   6.953
  339    HA   GLU  39           HA       GLU  39  -9.403   3.401   6.417
  340   1HB   GLU  39          2HB       GLU  39  -9.205   1.720   8.859
  341   2HB   GLU  39          1HB       GLU  39 -10.047   3.253   8.918
  342   1HG   GLU  39          2HG       GLU  39 -10.668   0.934   7.093
  343   2HG   GLU  39          1HG       GLU  39 -11.588   1.411   8.520
  344    QB   GLU  39           QB       GLU  39  -9.626   2.486   8.888
  345    QG   GLU  39           QG       GLU  39 -11.128   1.173   7.807
  346    H    THR  40           H        THR  40  -6.610   2.642   8.487
  347    HA   THR  40           HA       THR  40  -6.419   5.379   9.264
  348    HB   THR  40           HB       THR  40  -5.617   3.573  10.764
  349    HG1  THR  40          1HG       THR  40  -3.264   5.011  10.232
  350   1HG2  THR  40          2HG2      THR  40  -4.628   2.085   9.109
  351   2HG2  THR  40          1HG2      THR  40  -3.384   3.296   8.786
  352   3HG2  THR  40          3HG2      THR  40  -3.445   2.494  10.360
  353    MG   THR  40           QG2      THR  40  -3.819   2.625   9.418
  354    H    SER  41           H        SER  41  -4.971   3.504   6.649
  355    HA   SER  41           HA       SER  41  -2.958   5.397   6.091
  356   1HB   SER  41          2HB       SER  41  -2.779   4.164   3.890
  357   2HB   SER  41          1HB       SER  41  -2.557   3.191   5.345
  358    HG   SER  41           HG       SER  41  -4.473   2.302   5.079
  359    QB   SER  41           QB       SER  41  -2.668   3.678   4.617
  360    H    GLN  42           H        GLN  42  -6.191   4.920   4.755
  361    HA   GLN  42           HA       GLN  42  -6.194   6.875   2.734
  362   1HB   GLN  42          2HB       GLN  42  -8.359   6.075   4.636
  363   2HB   GLN  42          1HB       GLN  42  -8.625   7.125   3.259
  364   1HG   GLN  42          2HG       GLN  42  -8.285   5.464   1.734
  365   2HG   GLN  42          1HG       GLN  42  -7.319   4.523   2.875
  366   1HE2  GLN  42          1HE2      GLN  42  -9.249   4.767   5.029
  367   2HE2  GLN  42          2HE2      GLN  42 -10.488   3.655   4.589
  368    QB   GLN  42           QB       GLN  42  -8.492   6.600   3.948
  369    QG   GLN  42           QG       GLN  42  -7.802   4.993   2.305
  370    QE   GLN  42           QE2      GLN  42  -9.868   4.211   4.809
  371    H    ALA  43           H        ALA  43  -6.864   7.104   6.133
  372    HA   ALA  43           HA       ALA  43  -7.638   9.810   6.186
  373   1HB   ALA  43          2HB       ALA  43  -7.592   9.509   8.572
  374   2HB   ALA  43          3HB       ALA  43  -6.532   8.094   8.403
  375   3HB   ALA  43          1HB       ALA  43  -8.179   8.028   7.790
  376    MB   ALA  43           QB       ALA  43  -7.434   8.544   8.255
  377    H    HIS  44           H        HIS  44  -4.578   8.200   6.771
  378    HA   HIS  44           HA       HIS  44  -3.141  10.595   7.355
  379   1HB   HIS  44          2HB       HIS  44  -2.462   8.164   7.936
  380   2HB   HIS  44          1HB       HIS  44  -2.043   8.069   6.224
  381    HD1  HIS  44          1HD       HIS  44   0.166   7.515   8.215
  382    HD2  HIS  44          2HD       HIS  44  -0.614  11.327   6.759
  383    HE1  HIS  44          1HE       HIS  44   2.312   8.756   8.364
  384    HE2  HIS  44          2HE       HIS  44   1.869  11.024   7.549
  385    QB   HIS  44           QB       HIS  44  -2.252   8.117   7.080
  386    H    ASN  45           H        ASN  45  -3.555   8.653   4.403
  387    HA   ASN  45           HA       ASN  45  -1.881  10.222   2.797
  388   1HB   ASN  45          2HB       ASN  45  -4.035   8.255   2.154
  389   2HB   ASN  45          1HB       ASN  45  -3.385   9.269   0.868
  390   1HD2  ASN  45          1HD2      ASN  45  -2.465   7.536  -0.168
  391   2HD2  ASN  45          2HD2      ASN  45  -1.089   6.680   0.437
  392    QB   ASN  45           QB       ASN  45  -3.710   8.762   1.511
  393    QD   ASN  45           QD2      ASN  45  -1.777   7.108   0.135
  394    H    ALA  46           H        ALA  46  -5.333  10.488   3.397
  395    HA   ALA  46           HA       ALA  46  -5.896  12.539   1.592
  396   1HB   ALA  46          3HB       ALA  46  -7.774  13.093   3.076
  397   2HB   ALA  46          1HB       ALA  46  -7.050  12.102   4.342
  398   3HB   ALA  46          2HB       ALA  46  -7.630  11.345   2.855
  399    MB   ALA  46           QB       ALA  46  -7.484  12.180   3.424
  400    H    ARG  47           H        ARG  47  -4.729  12.652   4.922
  401    HA   ARG  47           HA       ARG  47  -4.554  15.472   5.065
  402   1HB   ARG  47          2HB       ARG  47  -4.636  13.860   7.048
  403   2HB   ARG  47          1HB       ARG  47  -2.976  13.464   6.575
  404   1HG   ARG  47          2HG       ARG  47  -3.593  16.309   7.246
  405   2HG   ARG  47          1HG       ARG  47  -3.405  15.148   8.555
  406   1HD   ARG  47          2HD       ARG  47  -1.168  14.643   7.881
  407   2HD   ARG  47          1HD       ARG  47  -1.351  15.523   6.365
  408    HE   ARG  47           HE       ARG  47  -1.690  17.090   8.756
  409   1HH1  ARG  47          1HH1      ARG  47   0.797  15.776   6.619
  410   2HH1  ARG  47          2HH1      ARG  47   1.793  17.139   6.609
  411   1HH2  ARG  47          1HH2      ARG  47  -0.309  18.970   8.871
  412   2HH2  ARG  47          2HH2      ARG  47   1.145  19.054   7.971
  413    QB   ARG  47           QB       ARG  47  -3.806  13.662   6.812
  414    QG   ARG  47           QG       ARG  47  -3.499  15.728   7.900
  415    QD   ARG  47           QD       ARG  47  -1.259  15.083   7.123
  416    QH1  ARG  47           QH1      ARG  47   1.295  16.458   6.614
  417    QH2  ARG  47           QH2      ARG  47   0.418  19.012   8.421
  418    H    ALA  48           H        ALA  48  -2.131  12.944   4.492
  419    HA   ALA  48           HA       ALA  48  -0.105  14.848   4.355
  420   1HB   ALA  48          3HB       ALA  48   0.341  12.592   5.161
  421   2HB   ALA  48          1HB       ALA  48   1.411  13.076   3.851
  422   3HB   ALA  48          2HB       ALA  48   0.075  11.955   3.536
  423    MB   ALA  48           QB       ALA  48   0.609  12.541   4.183
  424    H    GLN  49           H        GLN  49  -2.391  14.015   2.111
  425    HA   GLN  49           HA       GLN  49  -2.848  14.825   0.013
  426   1HB   GLN  49          2HB       GLN  49  -0.082  16.007   0.198
  427   2HB   GLN  49          1HB       GLN  49  -1.226  16.395  -1.119
  428   1HG   GLN  49          2HG       GLN  49  -2.352  17.773   0.263
  429   2HG   GLN  49          1HG       GLN  49  -2.144  16.548   1.548
  430   1HE2  GLN  49          1HE2      GLN  49  -0.613  16.752   3.018
  431   2HE2  GLN  49          2HE2      GLN  49   0.558  18.005   3.125
  432    QB   GLN  49           QB       GLN  49  -0.654  16.201  -0.461
  433    QG   GLN  49           QG       GLN  49  -2.248  17.160   0.906
  434    QE   GLN  49           QE2      GLN  49  -0.027  17.379   3.071
  435    H    LEU  50           H        LEU  50  -1.582  12.418   0.717
  436    HA   LEU  50           HA       LEU  50  -0.148  11.546  -1.648
  437   1HB   LEU  50          2HB       LEU  50  -0.603  10.406   1.039
  438   2HB   LEU  50          1HB       LEU  50  -0.234   9.316  -0.280
  439    HG   LEU  50           HG       LEU  50   1.812  10.498  -0.693
  440   1HD1  LEU  50          3HD1      LEU  50   1.257  12.709   0.113
  441   2HD1  LEU  50          2HD1      LEU  50   1.186  12.091   1.764
  442   3HD1  LEU  50          1HD1      LEU  50   2.718  12.101   0.889
  443   1HD2  LEU  50          1HD2      LEU  50   1.414   9.576   2.091
  444   2HD2  LEU  50          3HD2      LEU  50   1.928   8.601   0.705
  445   3HD2  LEU  50          2HD2      LEU  50   2.985   9.879   1.373
  446    MD1  LEU  50           QD1      LEU  50   1.720  12.300   0.922
  447    MD2  LEU  50           QD2      LEU  50   2.109   9.352   1.390
  448    QB   LEU  50           QB       LEU  50  -0.418   9.861   0.380
  449    QD   LEU  50           QQD      LEU  50   1.915  10.826   1.156
  450    H    THR  51           H        THR  51  -0.908  10.376  -3.213
  451    HA   THR  51           HA       THR  51  -3.592   9.267  -3.019
  452    HB   THR  51           HB       THR  51  -3.655   9.698  -5.464
  453    HG1  THR  51          1HG       THR  51  -1.621  10.121  -6.243
  454   1HG2  THR  51          3HG2      THR  51  -4.532  11.064  -3.651
  455   2HG2  THR  51          2HG2      THR  51  -3.013  11.996  -3.684
  456   3HG2  THR  51          1HG2      THR  51  -4.095  12.033  -5.089
  457    MG   THR  51           QG2      THR  51  -3.880  11.698  -4.142
  458    H    GLY  52           H        GLY  52  -3.950   7.237  -4.156
  459   1HA   GLY  52          1HA       GLY  52  -2.203   5.459  -3.063
  460   2HA   GLY  52          2HA       GLY  52  -1.665   5.669  -4.716
  461    QA   GLY  52           QA       GLY  52  -1.934   5.564  -3.890
  462    H    ALA  53           H        ALA  53  -2.114   3.402  -4.293
  463    HA   ALA  53           HA       ALA  53  -4.690   2.392  -4.234
  464   1HB   ALA  53          1HB       ALA  53  -4.848   3.201  -6.572
  465   2HB   ALA  53          2HB       ALA  53  -4.886   1.439  -6.505
  466   3HB   ALA  53          3HB       ALA  53  -3.405   2.276  -6.976
  467    MB   ALA  53           QB       ALA  53  -4.380   2.305  -6.684
  468    H    LEU  54           H        LEU  54  -4.602  -0.003  -4.737
  469    HA   LEU  54           HA       LEU  54  -1.979  -1.067  -4.115
  470   1HB   LEU  54          2HB       LEU  54  -2.805  -0.581  -1.959
  471   2HB   LEU  54          1HB       LEU  54  -4.402  -1.121  -2.361
  472    HG   LEU  54           HG       LEU  54  -2.179  -3.174  -2.169
  473   1HD1  LEU  54          1HD1      LEU  54  -2.100  -1.762  -0.139
  474   2HD1  LEU  54          3HD1      LEU  54  -3.827  -2.104   0.068
  475   3HD1  LEU  54          2HD1      LEU  54  -2.670  -3.418   0.126
  476   1HD2  LEU  54          2HD2      LEU  54  -5.136  -3.170  -1.625
  477   2HD2  LEU  54          1HD2      LEU  54  -4.356  -3.867  -3.045
  478   3HD2  LEU  54          3HD2      LEU  54  -4.062  -4.551  -1.439
  479    MD1  LEU  54           QD1      LEU  54  -2.866  -2.428   0.018
  480    MD2  LEU  54           QD2      LEU  54  -4.518  -3.863  -2.036
  481    QB   LEU  54           QB       LEU  54  -3.604  -0.851  -2.160
  482    QD   LEU  54           QQD      LEU  54  -3.692  -3.145  -1.009
  483    H    PHE  55           H        PHE  55  -1.635  -2.951  -5.006
  484    HA   PHE  55           HA       PHE  55  -3.899  -4.443  -6.088
  485   1HB   PHE  55          2HB       PHE  55  -1.022  -4.303  -7.035
  486   2HB   PHE  55          1HB       PHE  55  -2.218  -5.415  -7.677
  487    HD1  PHE  55          1HD       PHE  55  -4.050  -4.606  -9.048
  488    HD2  PHE  55          2HD       PHE  55  -1.029  -1.977  -7.619
  489    HE1  PHE  55          1HE       PHE  55  -4.755  -2.914 -10.683
  490    HE2  PHE  55          2HE       PHE  55  -1.728  -0.278  -9.256
  491    HZ   PHE  55           HZ       PHE  55  -3.597  -0.754 -10.789
  492    QB   PHE  55           QB       PHE  55  -1.620  -4.859  -7.356
  493    QD   PHE  55           QD       PHE  55  -2.539  -3.292  -8.333
  494    QE   PHE  55           QE       PHE  55  -3.241  -1.596  -9.969
  495    QR   PHE  55           QR       PHE  55  -3.032  -2.106  -9.479
  496    H    TYR  56           H        TYR  56  -4.288  -6.112  -4.922
  497    HA   TYR  56           HA       TYR  56  -2.064  -7.461  -3.604
  498   1HB   TYR  56          2HB       TYR  56  -3.269  -6.272  -1.891
  499   2HB   TYR  56          1HB       TYR  56  -4.833  -6.859  -2.446
  500    HD1  TYR  56          1HD       TYR  56  -5.043  -9.543  -2.291
  501    HD2  TYR  56          2HD       TYR  56  -2.344  -7.181  -0.029
  502    HE1  TYR  56          1HE       TYR  56  -4.866 -11.351  -0.647
  503    HE2  TYR  56          2HE       TYR  56  -2.125  -9.012   1.618
  504    HH   TYR  56           HH       TYR  56  -3.323 -10.953   2.362
  505    QB   TYR  56           QB       TYR  56  -4.051  -6.566  -2.169
  506    QD   TYR  56           QD       TYR  56  -3.693  -8.362  -1.160
  507    QE   TYR  56           QE       TYR  56  -3.495 -10.181   0.486
  508    QR   TYR  56           QR       TYR  56  -3.594  -9.272  -0.337
  509    H    SER  57           H        SER  57  -2.028  -9.596  -4.486
  510    HA   SER  57           HA       SER  57  -4.441 -11.098  -4.699
  511   1HB   SER  57          2HB       SER  57  -2.751 -10.586  -7.190
  512   2HB   SER  57          1HB       SER  57  -4.156 -11.645  -7.074
  513    HG   SER  57           HG       SER  57  -4.831  -9.255  -6.183
  514    QB   SER  57           QB       SER  57  -3.454 -11.115  -7.132
  515    H    GLN  58           H        GLN  58  -3.867 -13.286  -4.491
  516    HA   GLN  58           HA       GLN  58  -2.587 -15.147  -4.252
  517   1HB   GLN  58          2HB       GLN  58  -0.684 -13.487  -5.873
  518   2HB   GLN  58          1HB       GLN  58  -0.383 -15.167  -5.483
  519   1HG   GLN  58          2HG       GLN  58  -2.295 -15.865  -6.751
  520   2HG   GLN  58          1HG       GLN  58  -2.855 -14.203  -6.915
  521   1HE2  GLN  58          1HE2      GLN  58  -2.257 -16.206  -8.924
  522   2HE2  GLN  58          2HE2      GLN  58  -1.120 -15.476  -9.989
  523    QB   GLN  58           QB       GLN  58  -0.533 -14.327  -5.678
  524    QG   GLN  58           QG       GLN  58  -2.575 -15.034  -6.833
  525    QE   GLN  58           QE2      GLN  58  -1.689 -15.841  -9.456
  526    H    GLY  59           H        GLY  59  -2.366 -12.721  -2.448
  527   1HA   GLY  59          1HA       GLY  59  -0.346 -13.732  -0.631
  528   2HA   GLY  59          2HA       GLY  59  -1.412 -12.366  -0.379
  529    QA   GLY  59           QA       GLY  59  -0.879 -13.049  -0.505
  530    H    VAL  60           H        VAL  60  -0.163 -11.628  -3.269
  531    HA   VAL  60           HA       VAL  60   2.206 -10.484  -2.029
  532    HB   VAL  60           HB       VAL  60   3.260 -10.227  -4.152
  533   1HG1  VAL  60          3HG1      VAL  60   3.438 -12.434  -3.216
  534   2HG1  VAL  60          2HG1      VAL  60   1.988 -12.942  -4.075
  535   3HG1  VAL  60          1HG1      VAL  60   3.437 -12.512  -4.979
  536   1HG2  VAL  60          1HG2      VAL  60   1.337  -9.534  -5.519
  537   2HG2  VAL  60          3HG2      VAL  60   2.226 -10.838  -6.307
  538   3HG2  VAL  60          2HG2      VAL  60   0.708 -11.181  -5.479
  539    MG1  VAL  60           QG1      VAL  60   2.954 -12.629  -4.090
  540    MG2  VAL  60           QG2      VAL  60   1.424 -10.518  -5.768
  541    QG   VAL  60           QQG      VAL  60   2.189 -11.574  -4.929
  542    H    PHE  61           H        PHE  61   2.694  -8.364  -2.315
  543    HA   PHE  61           HA       PHE  61   0.323  -6.629  -2.580
  544   1HB   PHE  61          2HB       PHE  61   2.649  -6.751  -0.857
  545   2HB   PHE  61          1HB       PHE  61   2.166  -5.130  -1.343
  546    HD1  PHE  61          1HD       PHE  61   2.250  -7.226   1.205
  547    HD2  PHE  61          2HD       PHE  61  -0.665  -5.099  -1.035
  548    HE1  PHE  61          1HE       PHE  61   0.801  -7.156   3.171
  549    HE2  PHE  61          2HE       PHE  61  -2.131  -5.054   0.951
  550    HZ   PHE  61           HZ       PHE  61  -1.356  -6.049   3.043
  551    QB   PHE  61           QB       PHE  61   2.408  -5.940  -1.100
  552    QD   PHE  61           QD       PHE  61   0.792  -6.162   0.085
  553    QE   PHE  61           QE       PHE  61  -0.665  -6.105   2.061
  554    QR   PHE  61           QR       PHE  61  -0.220  -6.117   1.467
  555    H    PHE  62           H        PHE  62   0.427  -5.344  -4.388
  556    HA   PHE  62           HA       PHE  62   2.982  -4.080  -4.579
  557   1HB   PHE  62          2HB       PHE  62   2.432  -5.176  -6.769
  558   2HB   PHE  62          1HB       PHE  62   0.969  -4.196  -6.861
  559    HD1  PHE  62          1HD       PHE  62   4.644  -4.123  -6.991
  560    HD2  PHE  62          2HD       PHE  62   1.060  -1.877  -7.522
  561    HE1  PHE  62          1HE       PHE  62   5.934  -2.320  -8.060
  562    HE2  PHE  62          2HE       PHE  62   2.346  -0.078  -8.601
  563    HZ   PHE  62           HZ       PHE  62   4.783  -0.301  -8.871
  564    QB   PHE  62           QB       PHE  62   1.700  -4.686  -6.815
  565    QD   PHE  62           QD       PHE  62   2.852  -3.000  -7.256
  566    QE   PHE  62           QE       PHE  62   4.140  -1.199  -8.330
  567    QR   PHE  62           QR       PHE  62   3.754  -1.740  -8.009
  568    H    GLN  63           H        GLN  63   2.886  -2.083  -3.790
  569    HA   GLN  63           HA       GLN  63   0.306  -0.684  -3.745
  570   1HB   GLN  63          2HB       GLN  63   0.697  -2.135  -1.668
  571   2HB   GLN  63          1HB       GLN  63   2.042  -1.086  -1.301
  572   1HG   GLN  63          2HG       GLN  63  -0.825  -0.174  -1.506
  573   2HG   GLN  63          1HG       GLN  63  -0.046  -0.653  -0.014
  574   1HE2  GLN  63          1HE2      GLN  63   2.480   0.778  -0.822
  575   2HE2  GLN  63          2HE2      GLN  63   2.065   2.451  -0.618
  576    QB   GLN  63           QB       GLN  63   1.369  -1.610  -1.485
  577    QG   GLN  63           QG       GLN  63  -0.436  -0.413  -0.760
  578    QE   GLN  63           QE2      GLN  63   2.272   1.615  -0.720
  579    H    TRP  64           H        TRP  64   0.649   1.508  -4.040
  580    HA   TRP  64           HA       TRP  64   3.283   2.385  -3.414
  581   1HB   TRP  64          2HB       TRP  64   3.818   3.315  -5.491
  582   2HB   TRP  64          1HB       TRP  64   3.186   1.701  -5.886
  583    HD1  TRP  64           HD       TRP  64   3.205   5.120  -6.902
  584    HE1  TRP  64          1HE       TRP  64   1.314   5.679  -8.454
  585    HE3  TRP  64          3HE       TRP  64   0.303   1.028  -6.083
  586    HZ2  TRP  64          2HZ       TRP  64  -1.147   4.566  -9.262
  587    HZ3  TRP  64          3HZ       TRP  64  -1.840   0.871  -7.269
  588    HH2  TRP  64           HH       TRP  64  -2.534   2.594  -8.849
  589    QB   TRP  64           QB       TRP  64   3.502   2.508  -5.689
  590    H    LEU  65           H        LEU  65   3.404   4.806  -3.648
  591    HA   LEU  65           HA       LEU  65   0.882   6.121  -3.099
  592   1HB   LEU  65          2HB       LEU  65   1.893   7.202  -1.083
  593   2HB   LEU  65          1HB       LEU  65   1.462   5.527  -0.885
  594    HG   LEU  65           HG       LEU  65   4.236   6.389  -1.542
  595   1HD1  LEU  65          2HD1      LEU  65   2.951   5.995   1.177
  596   2HD1  LEU  65          1HD1      LEU  65   4.689   6.191   0.928
  597   3HD1  LEU  65          3HD1      LEU  65   3.598   7.515   0.541
  598   1HD2  LEU  65          1HD2      LEU  65   3.804   4.007  -1.804
  599   2HD2  LEU  65          3HD2      LEU  65   4.887   4.268  -0.437
  600   3HD2  LEU  65          2HD2      LEU  65   3.183   3.914  -0.157
  601    MD1  LEU  65           QD1      LEU  65   3.746   6.567   0.882
  602    MD2  LEU  65           QD2      LEU  65   3.958   4.063  -0.799
  603    QB   LEU  65           QB       LEU  65   1.678   6.365  -0.984
  604    QD   LEU  65           QQD      LEU  65   3.852   5.315   0.041
  605    H    GLU  66           H        GLU  66   0.767   8.102  -3.878
  606    HA   GLU  66           HA       GLU  66   3.183   9.385  -4.997
  607   1HB   GLU  66          2HB       GLU  66   0.296  10.052  -5.429
  608   2HB   GLU  66          1HB       GLU  66   1.670  10.601  -6.356
  609   1HG   GLU  66          2HG       GLU  66   1.949   8.317  -7.213
  610   2HG   GLU  66          1HG       GLU  66   0.502   7.832  -6.314
  611    QB   GLU  66           QB       GLU  66   0.983  10.327  -5.893
  612    QG   GLU  66           QG       GLU  66   1.226   8.075  -6.764
  613    H    GLY  67           H        GLY  67   3.842  11.160  -3.809
  614   1HA   GLY  67          1HA       GLY  67   2.679  12.053  -1.480
  615   2HA   GLY  67          2HA       GLY  67   1.929  12.963  -2.800
  616    QA   GLY  67           QA       GLY  67   2.304  12.508  -2.140
  617    H    HIS  68           H        HIS  68   3.152  14.621  -1.246
  618    HA   HIS  68           HA       HIS  68   5.485  15.552  -2.610
  619   1HB   HIS  68          2HB       HIS  68   4.117  17.218  -1.465
  620   2HB   HIS  68          1HB       HIS  68   4.204  16.342   0.036
  621    HD1  HIS  68          1HD       HIS  68   6.074  16.821   1.622
  622    HD2  HIS  68          2HD       HIS  68   6.313  18.515  -2.074
  623    HE1  HIS  68          1HE       HIS  68   8.083  18.220   1.797
  624    HE2  HIS  68          2HE       HIS  68   7.926  19.673  -0.275
  625    QB   HIS  68           QB       HIS  68   4.161  16.780  -0.715
  626    HA   PRO  69           HA       PRO  69   8.595  12.636  -1.401
  627   1HB   PRO  69          2HB       PRO  69  10.413  14.644  -0.443
  628   2HB   PRO  69          1HB       PRO  69  10.478  13.725  -1.940
  629   1HG   PRO  69          2HG       PRO  69   9.360  16.420  -1.443
  630   2HG   PRO  69          1HG       PRO  69   9.983  15.704  -2.956
  631   1HD   PRO  69          2HD       PRO  69   7.395  16.165  -2.596
  632   2HD   PRO  69          1HD       PRO  69   7.928  14.683  -3.420
  633    QB   PRO  69           QB       PRO  69  10.446  14.184  -1.192
  634    QG   PRO  69           QG       PRO  69   9.672  16.062  -2.200
  635    QD   PRO  69           QD       PRO  69   7.661  15.424  -3.008
  636    H    ALA  70           H        ALA  70   8.727  15.217   1.043
  637    HA   ALA  70           HA       ALA  70   9.523  13.320   2.977
  638   1HB   ALA  70          2HB       ALA  70  10.249  15.577   3.210
  639   2HB   ALA  70          3HB       ALA  70   9.246  15.062   4.593
  640   3HB   ALA  70          1HB       ALA  70   8.531  16.093   3.347
  641    MB   ALA  70           QB       ALA  70   9.342  15.577   3.717
  642    H    ALA  71           H        ALA  71   6.466  14.303   2.034
  643    HA   ALA  71           HA       ALA  71   5.113  13.452   4.369
  644   1HB   ALA  71          3HB       ALA  71   4.340  13.513   1.527
  645   2HB   ALA  71          2HB       ALA  71   3.186  13.223   2.818
  646   3HB   ALA  71          1HB       ALA  71   4.025  14.820   2.682
  647    MB   ALA  71           QB       ALA  71   3.850  13.852   2.342
  648    H    VAL  72           H        VAL  72   6.056  12.111   1.334
  649    HA   VAL  72           HA       VAL  72   4.920   9.504   1.496
  650    HB   VAL  72           HB       VAL  72   7.534   9.930   0.122
  651   1HG1  VAL  72          1HG1      VAL  72   6.364   7.853  -0.069
  652   2HG1  VAL  72          3HG1      VAL  72   4.964   8.753  -0.684
  653   3HG1  VAL  72          2HG1      VAL  72   6.473   8.717  -1.636
  654   1HG2  VAL  72          3HG2      VAL  72   5.002  11.203  -0.821
  655   2HG2  VAL  72          2HG2      VAL  72   6.530  11.979  -0.337
  656   3HG2  VAL  72          1HG2      VAL  72   6.472  10.967  -1.791
  657    MG1  VAL  72           QG1      VAL  72   5.933   8.441  -0.796
  658    MG2  VAL  72           QG2      VAL  72   6.001  11.383  -0.983
  659    QG   VAL  72           QQG      VAL  72   5.967   9.912  -0.890
  660    H    ALA  73           H        ALA  73   8.062  10.850   2.296
  661    HA   ALA  73           HA       ALA  73   9.077   8.433   3.281
  662   1HB   ALA  73          1HB       ALA  73   9.952  11.223   3.844
  663   2HB   ALA  73          3HB       ALA  73  10.745   9.684   4.301
  664   3HB   ALA  73          2HB       ALA  73  10.538  10.073   2.574
  665    MB   ALA  73           QB       ALA  73  10.411  10.327   3.573
  666    H    GLU  74           H        GLU  74   7.500  11.149   4.865
  667    HA   GLU  74           HA       GLU  74   7.731  10.283   7.560
  668   1HB   GLU  74          2HB       GLU  74   6.848  12.549   6.775
  669   2HB   GLU  74          1HB       GLU  74   5.417  11.731   6.207
  670   1HG   GLU  74          2HG       GLU  74   6.097  11.526   9.104
  671   2HG   GLU  74          1HG       GLU  74   5.486  13.058   8.493
  672    QB   GLU  74           QB       GLU  74   6.132  12.140   6.491
  673    QG   GLU  74           QG       GLU  74   5.791  12.292   8.799
  674    H    VAL  75           H        VAL  75   5.334   9.652   5.129
  675    HA   VAL  75           HA       VAL  75   3.980   7.675   6.489
  676    HB   VAL  75           HB       VAL  75   4.344   8.270   3.556
  677   1HG1  VAL  75          1HG1      VAL  75   2.627   6.101   4.748
  678   2HG1  VAL  75          3HG1      VAL  75   2.592   6.694   3.080
  679   3HG1  VAL  75          2HG1      VAL  75   4.039   5.895   3.688
  680   1HG2  VAL  75          1HG2      VAL  75   2.066   8.508   5.497
  681   2HG2  VAL  75          3HG2      VAL  75   2.988   9.823   4.758
  682   3HG2  VAL  75          2HG2      VAL  75   1.936   8.798   3.772
  683    MG1  VAL  75           QG1      VAL  75   3.086   6.230   3.839
  684    MG2  VAL  75           QG2      VAL  75   2.330   9.043   4.676
  685    QG   VAL  75           QQG      VAL  75   2.708   7.636   4.257
  686    H    MET  76           H        MET  76   6.771   7.205   4.102
  687    HA   MET  76           HA       MET  76   7.075   4.550   4.348
  688   1HB   MET  76          2HB       MET  76   9.193   6.662   4.207
  689   2HB   MET  76          1HB       MET  76   9.529   4.994   3.938
  690   1HG   MET  76          2HG       MET  76   7.503   6.411   2.333
  691   2HG   MET  76          1HG       MET  76   9.205   6.531   1.874
  692   1HE   MET  76          3HE       MET  76   6.045   4.577   2.234
  693   2HE   MET  76          2HE       MET  76   6.281   3.020   1.414
  694   3HE   MET  76          1HE       MET  76   6.981   3.318   3.023
  695    QB   MET  76           QB       MET  76   9.361   5.828   4.073
  696    QG   MET  76           QG       MET  76   8.354   6.471   2.104
  697    ME   MET  76           QE       MET  76   6.436   3.638   2.224
  698    H    SER  77           H        SER  77   8.612   6.933   6.501
  699    HA   SER  77           HA       SER  77   9.843   4.988   8.171
  700   1HB   SER  77          2HB       SER  77   8.965   7.787   8.923
  701   2HB   SER  77          1HB       SER  77  10.246   6.836   9.674
  702    HG   SER  77           HG       SER  77  10.264   8.329   7.364
  703    QB   SER  77           QB       SER  77   9.605   7.312   9.298
  704    H    HIS  78           H        HIS  78   6.622   6.328   8.263
  705    HA   HIS  78           HA       HIS  78   6.058   5.004  10.736
  706   1HB   HIS  78          2HB       HIS  78   4.244   6.312   8.717
  707   2HB   HIS  78          1HB       HIS  78   3.587   5.395  10.063
  708    HD1  HIS  78          1HD       HIS  78   2.930   6.861  11.909
  709    HD2  HIS  78          2HD       HIS  78   6.179   8.408   9.875
  710    HE1  HIS  78          1HE       HIS  78   3.406   9.072  12.991
  711    HE2  HIS  78          2HE       HIS  78   4.929  10.103  11.326
  712    QB   HIS  78           QB       HIS  78   3.915   5.854   9.390
  713    H    ILE  79           H        ILE  79   5.844   4.048   7.382
  714    HA   ILE  79           HA       ILE  79   4.301   1.647   8.043
  715    HB   ILE  79           HB       ILE  79   5.716   1.978   5.398
  716   1HG1  ILE  79          2HG1      ILE  79   3.061   3.231   6.151
  717   2HG1  ILE  79          1HG1      ILE  79   4.584   3.971   5.615
  718   1HG2  ILE  79          3HG2      ILE  79   4.675  -0.150   5.903
  719   2HG2  ILE  79          2HG2      ILE  79   3.139   0.663   6.218
  720   3HG2  ILE  79          1HG2      ILE  79   3.830   0.679   4.591
  721   1HD1  ILE  79          3HD1      ILE  79   4.373   3.039   3.418
  722   2HD1  ILE  79          2HD1      ILE  79   2.928   2.152   3.895
  723   3HD1  ILE  79          1HD1      ILE  79   2.888   3.910   3.818
  724    MG   ILE  79           QG2      ILE  79   3.882   0.397   5.571
  725    MD   ILE  79           QD1      ILE  79   3.396   3.034   3.710
  726    QG   ILE  79           QG1      ILE  79   3.822   3.601   5.883
  727    H    GLN  80           H        GLN  80   7.604   2.366   6.972
  728    HA   GLN  80           HA       GLN  80   8.487  -0.249   6.723
  729   1HB   GLN  80          2HB       GLN  80  10.117   2.258   7.199
  730   2HB   GLN  80          1HB       GLN  80  10.769   0.726   6.626
  731   1HG   GLN  80          2HG       GLN  80   8.746   2.467   5.154
  732   2HG   GLN  80          1HG       GLN  80  10.390   2.099   4.680
  733   1HE2  GLN  80          1HE2      GLN  80   7.583   1.533   3.798
  734   2HE2  GLN  80          2HE2      GLN  80   7.749  -0.129   3.348
  735    QB   GLN  80           QB       GLN  80  10.443   1.492   6.913
  736    QG   GLN  80           QG       GLN  80   9.568   2.283   4.917
  737    QE   GLN  80           QE2      GLN  80   7.666   0.702   3.573
  738    H    ARG  81           H        ARG  81   7.732   1.122   9.628
  739    HA   ARG  81           HA       ARG  81   9.590  -0.613  11.084
  740   1HB   ARG  81          2HB       ARG  81   7.432   1.189  12.205
  741   2HB   ARG  81          1HB       ARG  81   8.763   0.460  13.088
  742   1HG   ARG  81          2HG       ARG  81   8.913   2.648  11.044
  743   2HG   ARG  81          1HG       ARG  81   9.291   2.704  12.775
  744   1HD   ARG  81          2HD       ARG  81  11.264   1.448  12.496
  745   2HD   ARG  81          1HD       ARG  81  10.778   0.884  10.905
  746    HE   ARG  81           HE       ARG  81  11.381   3.702  11.389
  747   1HH1  ARG  81          1HH1      ARG  81  12.019   0.681   9.648
  748   2HH1  ARG  81          2HH1      ARG  81  12.906   1.418   8.409
  749   1HH2  ARG  81          1HH2      ARG  81  12.570   4.711   9.641
  750   2HH2  ARG  81          2HH2      ARG  81  13.202   3.785   8.373
  751    QB   ARG  81           QB       ARG  81   8.097   0.824  12.646
  752    QG   ARG  81           QG       ARG  81   9.102   2.676  11.910
  753    QD   ARG  81           QD       ARG  81  11.021   1.166  11.700
  754    QH1  ARG  81           QH1      ARG  81  12.463   1.049   9.028
  755    QH2  ARG  81           QH2      ARG  81  12.886   4.248   9.007
  756    H    ASP  82           H        ASP  82   7.211  -1.370   9.288
  757    HA   ASP  82           HA       ASP  82   5.222  -2.643  10.702
  758   1HB   ASP  82          2HB       ASP  82   4.755  -3.641   8.536
  759   2HB   ASP  82          1HB       ASP  82   5.209  -1.972   8.391
  760    QB   ASP  82           QB       ASP  82   4.982  -2.806   8.464
  761    H    ARG  83           H        ARG  83   5.707  -5.163   8.943
  762    HA   ARG  83           HA       ARG  83   7.069  -7.176   9.628
  763   1HB   ARG  83          2HB       ARG  83   6.454  -8.110  11.816
  764   2HB   ARG  83          1HB       ARG  83   7.087  -6.495  12.070
  765   1HG   ARG  83          2HG       ARG  83   4.539  -5.845  11.984
  766   2HG   ARG  83          1HG       ARG  83   4.324  -7.541  12.416
  767   1HD   ARG  83          2HD       ARG  83   4.430  -6.307  14.452
  768   2HD   ARG  83          1HD       ARG  83   5.963  -7.163  14.281
  769    HE   ARG  83           HE       ARG  83   6.735  -4.931  13.264
  770   1HH1  ARG  83          1HH1      ARG  83   4.513  -5.239  15.997
  771   2HH1  ARG  83          2HH1      ARG  83   4.884  -3.715  16.657
  772   1HH2  ARG  83          1HH2      ARG  83   7.200  -2.815  14.133
  773   2HH2  ARG  83          2HH2      ARG  83   6.442  -2.309  15.571
  774    QB   ARG  83           QB       ARG  83   6.771  -7.302  11.943
  775    QG   ARG  83           QG       ARG  83   4.431  -6.693  12.200
  776    QD   ARG  83           QD       ARG  83   5.196  -6.735  14.367
  777    QH1  ARG  83           QH1      ARG  83   4.698  -4.477  16.327
  778    QH2  ARG  83           QH2      ARG  83   6.821  -2.562  14.852
  779    H    ARG  84           H        ARG  84   4.093  -5.659   9.663
  780    HA   ARG  84           HA       ARG  84   2.084  -7.478   9.214
  781   1HB   ARG  84          2HB       ARG  84   2.653  -4.743   8.181
  782   2HB   ARG  84          1HB       ARG  84   1.179  -5.562   7.747
  783   1HG   ARG  84          2HG       ARG  84   0.489  -5.624  10.050
  784   2HG   ARG  84          1HG       ARG  84   2.058  -4.976  10.569
  785   1HD   ARG  84          2HD       ARG  84   1.651  -2.913   9.508
  786   2HD   ARG  84          1HD       ARG  84   0.288  -3.579   8.620
  787    HE   ARG  84           HE       ARG  84  -0.765  -3.807  10.882
  788   1HH1  ARG  84          1HH1      ARG  84   1.492  -1.164  10.094
  789   2HH1  ARG  84          2HH1      ARG  84   0.740  -0.022  11.096
  790   1HH2  ARG  84          1HH2      ARG  84  -1.746  -2.211  12.309
  791   2HH2  ARG  84          2HH2      ARG  84  -1.191  -0.606  12.375
  792    QB   ARG  84           QB       ARG  84   1.916  -5.152   7.964
  793    QG   ARG  84           QG       ARG  84   1.273  -5.300  10.309
  794    QD   ARG  84           QD       ARG  84   0.969  -3.246   9.064
  795    QH1  ARG  84           QH1      ARG  84   1.116  -0.593  10.595
  796    QH2  ARG  84           QH2      ARG  84  -1.469  -1.408  12.342
  797    H    HIS  85           H        HIS  85   3.836  -5.809   6.756
  798    HA   HIS  85           HA       HIS  85   2.887  -7.672   4.722
  799   1HB   HIS  85          2HB       HIS  85   3.378  -5.849   3.051
  800   2HB   HIS  85          1HB       HIS  85   2.052  -5.509   4.153
  801    HD1  HIS  85          1HD       HIS  85   3.034  -2.952   2.955
  802    HD2  HIS  85          2HD       HIS  85   5.017  -4.597   6.225
  803    HE1  HIS  85          1HE       HIS  85   4.432  -1.160   4.083
  804    HE2  HIS  85          2HE       HIS  85   5.640  -2.281   5.840
  805    QB   HIS  85           QB       HIS  85   2.715  -5.679   3.602
  806    H    SER  86           H        SER  86   4.262  -9.142   4.341
  807    HA   SER  86           HA       SER  86   6.274  -9.873   5.328
  808   1HB   SER  86          2HB       SER  86   5.304 -10.003   2.868
  809   2HB   SER  86          1HB       SER  86   6.952 -10.807   2.890
  810    HG   SER  86           HG       SER  86   4.911 -12.028   3.266
  811    QB   SER  86           QB       SER  86   6.128 -10.405   2.879
  812    H    ASN  87           H        ASN  87   7.113  -7.706   2.889
  813    HA   ASN  87           HA       ASN  87   9.735  -7.454   4.175
  814   1HB   ASN  87          2HB       ASN  87   9.608  -7.637   1.170
  815   2HB   ASN  87          1HB       ASN  87  11.052  -7.347   2.104
  816   1HD2  ASN  87          1HD2      ASN  87  10.505  -9.274   0.155
  817   2HD2  ASN  87          2HD2      ASN  87  10.695 -10.834   0.901
  818    QB   ASN  87           QB       ASN  87  10.330  -7.492   1.637
  819    QD   ASN  87           QD2      ASN  87  10.600 -10.054   0.528
  820    H    VAL  88           H        VAL  88   7.394  -6.039   2.607
  821    HA   VAL  88           HA       VAL  88   7.267  -4.353   1.109
  822    HB   VAL  88           HB       VAL  88   6.226  -3.702   3.078
  823   1HG1  VAL  88          2HG1      VAL  88   8.722  -2.385   3.913
  824   2HG1  VAL  88          1HG1      VAL  88   7.110  -2.141   4.605
  825   3HG1  VAL  88          3HG1      VAL  88   7.824  -3.782   4.663
  826   1HG2  VAL  88          2HG2      VAL  88   6.152  -2.134   1.260
  827   2HG2  VAL  88          1HG2      VAL  88   6.168  -1.269   2.805
  828   3HG2  VAL  88          3HG2      VAL  88   7.641  -1.385   1.847
  829    MG1  VAL  88           QG1      VAL  88   7.885  -2.769   4.394
  830    MG2  VAL  88           QG2      VAL  88   6.654  -1.596   1.970
  831    QG   VAL  88           QQG      VAL  88   7.270  -2.183   3.182
  832    H    GLU  89           H        GLU  89   8.873  -4.829  -0.197
  833    HA   GLU  89           HA       GLU  89  11.268  -3.242  -0.013
  834   1HB   GLU  89          2HB       GLU  89  10.200  -5.190  -1.987
  835   2HB   GLU  89          1HB       GLU  89  11.745  -4.385  -2.211
  836   1HG   GLU  89          2HG       GLU  89  12.730  -5.476  -0.452
  837   2HG   GLU  89          1HG       GLU  89  11.187  -5.827   0.312
  838    QB   GLU  89           QB       GLU  89  10.972  -4.788  -2.099
  839    QG   GLU  89           QG       GLU  89  11.958  -5.652  -0.070
  840    H    ILE  90           H        ILE  90  10.229  -1.271  -0.039
  841    HA   ILE  90           HA       ILE  90   8.844   0.059  -2.098
  842    HB   ILE  90           HB       ILE  90  11.328   1.310  -0.940
  843   1HG1  ILE  90          2HG1      ILE  90  10.313   0.228   0.979
  844   2HG1  ILE  90          1HG1      ILE  90  10.145   1.972   1.099
  845   1HG2  ILE  90          2HG2      ILE  90   8.564   2.437  -1.446
  846   2HG2  ILE  90          1HG2      ILE  90   9.879   3.347  -0.785
  847   3HG2  ILE  90          3HG2      ILE  90  10.004   2.753  -2.444
  848   1HD1  ILE  90          2HD1      ILE  90   7.886   1.796   0.261
  849   2HD1  ILE  90          1HD1      ILE  90   8.057   0.038   0.218
  850   3HD1  ILE  90          3HD1      ILE  90   8.111   0.897   1.766
  851    MG   ILE  90           QG2      ILE  90   9.482   2.845  -1.559
  852    MD   ILE  90           QD1      ILE  90   8.018   0.911   0.748
  853    QG   ILE  90           QG1      ILE  90  10.229   1.100   1.039
  854    H    LEU  91           H        LEU  91  12.147   0.149  -1.832
  855    HA   LEU  91           HA       LEU  91  13.897   0.153  -3.251
  856   1HB   LEU  91          2HB       LEU  91  12.197  -1.829  -4.732
  857   2HB   LEU  91          1HB       LEU  91  13.888  -1.535  -5.083
  858    HG   LEU  91           HG       LEU  91  12.765  -2.681  -2.506
  859   1HD1  LEU  91          1HD1      LEU  91  14.442  -3.899  -4.684
  860   2HD1  LEU  91          3HD1      LEU  91  13.974  -4.680  -3.176
  861   3HD1  LEU  91          2HD1      LEU  91  12.741  -4.235  -4.357
  862   1HD2  LEU  91          1HD2      LEU  91  15.623  -2.085  -3.291
  863   2HD2  LEU  91          3HD2      LEU  91  14.707  -1.283  -2.014
  864   3HD2  LEU  91          2HD2      LEU  91  15.114  -2.985  -1.861
  865    MD1  LEU  91           QD1      LEU  91  13.719  -4.271  -4.072
  866    MD2  LEU  91           QD2      LEU  91  15.148  -2.118  -2.389
  867    QB   LEU  91           QB       LEU  91  13.042  -1.682  -4.908
  868    QD   LEU  91           QQD      LEU  91  14.434  -3.194  -3.231
  869    H    ALA  92           H        ALA  92  10.973   1.272  -4.441
  870    HA   ALA  92           HA       ALA  92  12.403   2.774  -6.537
  871   1HB   ALA  92          1HB       ALA  92  11.010   1.136  -7.639
  872   2HB   ALA  92          2HB       ALA  92  10.308   2.741  -7.852
  873   3HB   ALA  92          3HB       ALA  92   9.624   1.631  -6.668
  874    MB   ALA  92           QB       ALA  92  10.314   1.836  -7.386
  875    H    GLU  93           H        GLU  93  12.489   4.774  -5.806
  876    HA   GLU  93           HA       GLU  93   9.997   6.026  -4.966
  877   1HB   GLU  93          2HB       GLU  93  12.703   6.724  -3.704
  878   2HB   GLU  93          1HB       GLU  93  11.092   7.298  -3.279
  879   1HG   GLU  93          2HG       GLU  93  10.422   5.264  -2.500
  880   2HG   GLU  93          1HG       GLU  93  11.961   4.495  -2.921
  881    QB   GLU  93           QB       GLU  93  11.897   7.011  -3.491
  882    QG   GLU  93           QG       GLU  93  11.192   4.879  -2.711
  883    H    GLU  94           H        GLU  94   9.598   7.352  -6.565
  884    HA   GLU  94           HA       GLU  94  11.838   8.703  -7.863
  885   1HB   GLU  94          2HB       GLU  94  10.465   8.299 -10.036
  886   2HB   GLU  94          1HB       GLU  94  11.459   6.995  -9.395
  887   1HG   GLU  94          2HG       GLU  94   9.374   6.130  -8.262
  888   2HG   GLU  94          1HG       GLU  94   8.475   7.324  -9.188
  889    QB   GLU  94           QB       GLU  94  10.962   7.647  -9.716
  890    QG   GLU  94           QG       GLU  94   8.924   6.727  -8.725
  891    H    SER  95           H        SER  95  11.520  10.770  -8.526
  892    HA   SER  95           HA       SER  95   9.372  12.122  -7.247
  893   1HB   SER  95          2HB       SER  95  11.625  13.059  -7.284
  894   2HB   SER  95          1HB       SER  95  11.538  13.261  -9.039
  895    HG   SER  95           HG       SER  95   9.514  14.392  -7.460
  896    QB   SER  95           QB       SER  95  11.582  13.160  -8.161
  897    H    ILE  96           H        ILE  96   7.519  12.527  -8.038
  898    HA   ILE  96           HA       ILE  96   7.071  12.401 -10.971
  899    HB   ILE  96           HB       ILE  96   4.861  11.754 -10.575
  900   1HG1  ILE  96          2HG1      ILE  96   5.577  11.071  -7.740
  901   2HG1  ILE  96          1HG1      ILE  96   4.834  12.612  -8.117
  902   1HG2  ILE  96          1HG2      ILE  96   6.532  10.117 -11.102
  903   2HG2  ILE  96          3HG2      ILE  96   6.947   9.921  -9.401
  904   3HG2  ILE  96          2HG2      ILE  96   5.364   9.391  -9.987
  905   1HD1  ILE  96          3HD1      ILE  96   3.632   9.947  -8.781
  906   2HD1  ILE  96          2HD1      ILE  96   3.295  10.927  -7.338
  907   3HD1  ILE  96          1HD1      ILE  96   2.914  11.555  -8.943
  908    MG   ILE  96           QG2      ILE  96   6.281   9.810 -10.163
  909    MD   ILE  96           QD1      ILE  96   3.280  10.810  -8.354
  910    QG   ILE  96           QG1      ILE  96   5.205  11.842  -7.928
  911    H    ALA  97           H        ALA  97   5.045  13.386 -11.698
  912    HA   ALA  97           HA       ALA  97   4.811  16.044 -10.554
  913   1HB   ALA  97          3HB       ALA  97   5.128  15.687 -13.026
  914   2HB   ALA  97          1HB       ALA  97   3.729  16.705 -12.550
  915   3HB   ALA  97          2HB       ALA  97   3.464  15.025 -12.964
  916    MB   ALA  97           QB       ALA  97   4.107  15.806 -12.847
  917    H    LYS  98           H        LYS  98   3.413  13.320 -10.732
  918    HA   LYS  98           HA       LYS  98   1.473  12.275 -10.268
  919   1HB   LYS  98          2HB       LYS  98   2.319  13.464  -8.205
  920   2HB   LYS  98          1HB       LYS  98   0.997  14.550  -8.574
  921   1HG   LYS  98          2HG       LYS  98   0.060  11.893  -8.636
  922   2HG   LYS  98          1HG       LYS  98   1.096  12.200  -7.288
  923   1HD   LYS  98          2HD       LYS  98  -0.728  14.341  -7.581
  924   2HD   LYS  98          1HD       LYS  98  -1.539  12.784  -7.227
  925   1HE   LYS  98          2HE       LYS  98   0.154  12.415  -5.639
  926   2HE   LYS  98          1HE       LYS  98   0.725  14.083  -5.866
  927   1HZ   LYS  98          1HZ       LYS  98  -2.028  13.326  -4.988
  928   2HZ   LYS  98          3HZ       LYS  98  -0.886  13.922  -3.894
  929   3HZ   LYS  98          2HZ       LYS  98  -1.486  14.891  -5.164
  930    QB   LYS  98           QB       LYS  98   1.658  14.007  -8.390
  931    QD   LYS  98           QD       LYS  98  -1.133  13.562  -7.404
  932    QG   LYS  98           QG       LYS  98   0.578  12.046  -7.962
  933    QE   LYS  98           QE       LYS  98   0.439  13.249  -5.753
  934    QZ   LYS  98           QZ       LYS  98  -1.467  14.046  -4.682
  935    H    ARG  99           H        ARG  99  -0.898  12.622  -9.969
  936    HA   ARG  99           HA       ARG  99  -2.709  14.450 -10.465
  937   1HB   ARG  99          2HB       ARG  99  -1.420  15.097 -12.627
  938   2HB   ARG  99          1HB       ARG  99  -1.992  13.590 -13.294
  939   1HG   ARG  99          2HG       ARG  99  -3.497  15.235 -14.104
  940   2HG   ARG  99          1HG       ARG  99  -4.362  14.395 -12.818
  941   1HD   ARG  99          2HD       ARG  99  -4.789  16.693 -12.481
  942   2HD   ARG  99          1HD       ARG  99  -3.588  16.254 -11.267
  943    HE   ARG  99           HE       ARG  99  -2.753  17.445 -13.806
  944   1HH1  ARG  99          1HH1      ARG  99  -2.947  17.747 -10.240
  945   2HH1  ARG  99          2HH1      ARG  99  -1.971  19.121 -10.170
  946   1HH2  ARG  99          1HH2      ARG  99  -1.458  19.417 -13.671
  947   2HH2  ARG  99          2HH2      ARG  99  -1.093  20.122 -12.181
  948    QB   ARG  99           QB       ARG  99  -1.706  14.344 -12.961
  949    QG   ARG  99           QG       ARG  99  -3.930  14.815 -13.461
  950    QD   ARG  99           QD       ARG  99  -4.188  16.473 -11.874
  951    QH1  ARG  99           QH1      ARG  99  -2.459  18.434 -10.205
  952    QH2  ARG  99           QH2      ARG  99  -1.276  19.770 -12.926
  953    H    ARG 100           H        ARG 100  -1.567  11.557 -11.460
  954    HA   ARG 100           HA       ARG 100  -3.459  10.015 -12.587
  955   1HB   ARG 100          2HB       ARG 100  -1.575   9.203 -10.409
  956   2HB   ARG 100          1HB       ARG 100  -2.281   8.137 -11.626
  957   1HG   ARG 100          2HG       ARG 100  -1.077   9.130 -13.365
  958   2HG   ARG 100          1HG       ARG 100  -0.719  10.553 -12.365
  959   1HD   ARG 100          2HD       ARG 100   1.249   9.165 -12.667
  960   2HD   ARG 100          1HD       ARG 100   0.751   9.231 -10.986
  961    HE   ARG 100           HE       ARG 100  -0.112   6.951 -12.565
  962   1HH1  ARG 100          1HH1      ARG 100   1.721   8.220  -9.877
  963   2HH1  ARG 100          2HH1      ARG 100   2.663   6.813  -9.583
  964   1HH2  ARG 100          1HH2      ARG 100   1.031   4.879 -12.093
  965   2HH2  ARG 100          2HH2      ARG 100   2.186   4.833 -10.849
  966    QB   ARG 100           QB       ARG 100  -1.928   8.670 -11.017
  967    QG   ARG 100           QG       ARG 100  -0.898   9.841 -12.865
  968    QD   ARG 100           QD       ARG 100   1.000   9.198 -11.826
  969    QH1  ARG 100           QH1      ARG 100   2.192   7.516  -9.730
  970    QH2  ARG 100           QH2      ARG 100   1.608   4.856 -11.471
  971    H    PHE 101           H        PHE 101  -3.112  10.370  -8.999
  972    HA   PHE 101           HA       PHE 101  -5.854   9.416  -8.837
  973   1HB   PHE 101          2HB       PHE 101  -3.462   8.649  -7.169
  974   2HB   PHE 101          1HB       PHE 101  -5.112   8.419  -6.592
  975    HD1  PHE 101          1HD       PHE 101  -6.415   6.646  -7.374
  976    HD2  PHE 101          2HD       PHE 101  -2.645   7.425  -9.156
  977    HE1  PHE 101          1HE       PHE 101  -6.534   4.490  -8.544
  978    HE2  PHE 101          2HE       PHE 101  -2.758   5.275 -10.343
  979    HZ   PHE 101           HZ       PHE 101  -4.711   3.806 -10.032
  980    QB   PHE 101           QB       PHE 101  -4.287   8.534  -6.881
  981    QD   PHE 101           QD       PHE 101  -4.530   7.036  -8.265
  982    QE   PHE 101           QE       PHE 101  -4.646   4.882  -9.443
  983    QR   PHE 101           QR       PHE 101  -4.613   5.528  -9.090
  984    H    ALA 102           H        ALA 102  -7.017  10.249  -7.115
  985    HA   ALA 102           HA       ALA 102  -5.872  12.636  -5.855
  986   1HB   ALA 102          1HB       ALA 102  -7.706  13.189  -7.412
  987   2HB   ALA 102          2HB       ALA 102  -8.150  13.548  -5.740
  988   3HB   ALA 102          3HB       ALA 102  -8.771  12.097  -6.528
  989    MB   ALA 102           QB       ALA 102  -8.209  12.945  -6.560
  990    H    GLY 103           H        GLY 103  -6.840   9.515  -5.392
  991   1HA   GLY 103          1HA       GLY 103  -8.188   9.138  -3.165
  992   2HA   GLY 103          2HA       GLY 103  -6.701   9.872  -2.555
  993    QA   GLY 103           QA       GLY 103  -7.445   9.505  -2.860
  994    H    TRP 104           H        TRP 104  -6.288   7.919  -1.468
  995    HA   TRP 104           HA       TRP 104  -4.910   5.988  -3.102
  996   1HB   TRP 104          2HB       TRP 104  -3.722   6.759  -1.174
  997   2HB   TRP 104          1HB       TRP 104  -5.100   6.504  -0.141
  998    HD1  TRP 104           HD       TRP 104  -1.998   4.769  -1.380
  999    HE1  TRP 104          1HE       TRP 104  -1.851   2.498  -0.307
 1000    HE3  TRP 104          3HE       TRP 104  -6.634   4.595   0.712
 1001    HZ2  TRP 104          2HZ       TRP 104  -3.558   0.816   1.291
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.297   2.850   1.896
 1003    HH2  TRP 104           HH       TRP 104  -5.889   0.925   2.252
 1004    QB   TRP 104           QB       TRP 104  -4.411   6.632  -0.658
 1005    H    HIS 105           H        HIS 105  -5.386   3.732  -3.186
 1006    HA   HIS 105           HA       HIS 105  -8.180   3.068  -2.506
 1007   1HB   HIS 105          2HB       HIS 105  -6.539   2.473  -4.936
 1008   2HB   HIS 105          1HB       HIS 105  -8.036   1.603  -4.575
 1009    HD1  HIS 105          1HD       HIS 105  -6.710   5.021  -5.528
 1010    HD2  HIS 105          2HD       HIS 105 -10.311   2.944  -5.341
 1011    HE1  HIS 105          1HE       HIS 105  -8.368   6.408  -6.777
 1012    HE2  HIS 105          2HE       HIS 105 -10.350   4.924  -6.980
 1013    QB   HIS 105           QB       HIS 105  -7.288   2.038  -4.756
 1014    H    MET 106           H        MET 106  -8.573   0.755  -2.174
 1015    HA   MET 106           HA       MET 106  -6.262  -0.980  -1.774
 1016   1HB   MET 106          2HB       MET 106  -7.166   0.378   0.372
 1017   2HB   MET 106          1HB       MET 106  -8.369  -0.895   0.343
 1018   1HG   MET 106          2HG       MET 106  -5.391  -1.223   0.639
 1019   2HG   MET 106          1HG       MET 106  -6.582  -1.411   1.897
 1020   1HE   MET 106          1HE       MET 106  -4.355  -3.547   1.444
 1021   2HE   MET 106          3HE       MET 106  -5.646  -3.818   2.631
 1022   3HE   MET 106          2HE       MET 106  -5.207  -5.067   1.429
 1023    QB   MET 106           QB       MET 106  -7.768  -0.259   0.357
 1024    QG   MET 106           QG       MET 106  -5.987  -1.317   1.268
 1025    ME   MET 106           QE       MET 106  -5.069  -4.144   1.835
 1026    H    GLN 107           H        GLN 107  -6.904  -3.071  -2.327
 1027    HA   GLN 107           HA       GLN 107  -9.509  -3.368  -3.525
 1028   1HB   GLN 107          2HB       GLN 107  -7.505  -5.546  -2.960
 1029   2HB   GLN 107          1HB       GLN 107  -8.894  -5.644  -4.026
 1030   1HG   GLN 107          2HG       GLN 107  -7.811  -3.892  -5.438
 1031   2HG   GLN 107          1HG       GLN 107  -6.377  -4.044  -4.426
 1032   1HE2  GLN 107          1HE2      GLN 107  -8.535  -6.645  -5.411
 1033   2HE2  GLN 107          2HE2      GLN 107  -7.375  -7.500  -6.348
 1034    QB   GLN 107           QB       GLN 107  -8.199  -5.595  -3.493
 1035    QG   GLN 107           QG       GLN 107  -7.094  -3.968  -4.932
 1036    QE   GLN 107           QE2      GLN 107  -7.955  -7.073  -5.880
 1037    H    LEU 108           H        LEU 108  -7.890  -4.515  -0.607
 1038    HA   LEU 108           HA       LEU 108 -10.095  -6.223   0.044
 1039   1HB   LEU 108          2HB       LEU 108  -7.647  -5.486   1.628
 1040   2HB   LEU 108          1HB       LEU 108  -8.896  -6.553   2.231
 1041    HG   LEU 108           HG       LEU 108  -7.182  -7.070  -0.207
 1042   1HD1  LEU 108          3HD1      LEU 108  -7.133  -8.272   2.557
 1043   2HD1  LEU 108          2HD1      LEU 108  -6.201  -8.854   1.179
 1044   3HD1  LEU 108          1HD1      LEU 108  -5.901  -7.242   1.831
 1045   1HD2  LEU 108          3HD2      LEU 108  -9.260  -8.788   1.158
 1046   2HD2  LEU 108          2HD2      LEU 108  -9.373  -8.081  -0.456
 1047   3HD2  LEU 108          1HD2      LEU 108  -8.181  -9.326  -0.127
 1048    MD1  LEU 108           QD1      LEU 108  -6.411  -8.123   1.856
 1049    MD2  LEU 108           QD2      LEU 108  -8.938  -8.732   0.192
 1050    QB   LEU 108           QB       LEU 108  -8.271  -6.019   1.929
 1051    QD   LEU 108           QQD      LEU 108  -7.675  -8.427   1.024
 1052    H    SER 109           H        SER 109 -11.808  -5.770   0.956
 1053    HA   SER 109           HA       SER 109 -12.104  -3.443   2.661
 1054   1HB   SER 109          2HB       SER 109 -14.414  -3.344   1.439
 1055   2HB   SER 109          1HB       SER 109 -13.007  -2.724   0.576
 1056    HG   SER 109           HG       SER 109 -12.932  -4.501  -0.649
 1057    QB   SER 109           QB       SER 109 -13.711  -3.034   1.008
 1058    H    CYS 110           H        CYS 110 -14.868  -4.079   3.194
 1059    HA   CYS 110           HA       CYS 110 -14.628  -6.353   4.858
 1060   1HB   CYS 110          2HB       CYS 110 -17.114  -4.908   3.909
 1061   2HB   CYS 110          1HB       CYS 110 -17.082  -6.112   5.195
 1062    HG   CYS 110           HG       CYS 110 -15.183  -3.309   5.380
 1063    QB   CYS 110           QB       CYS 110 -17.098  -5.510   4.552
 1064    H    SER 111           H        SER 111 -13.940  -7.950   3.705
 1065    HA   SER 111           HA       SER 111 -13.900  -9.844   2.549
 1066   1HB   SER 111          2HB       SER 111 -16.776  -9.382   1.750
 1067   2HB   SER 111          1HB       SER 111 -15.907 -10.903   1.733
 1068    HG   SER 111           HG       SER 111 -16.972 -11.036   3.579
 1069    QB   SER 111           QB       SER 111 -16.341 -10.143   1.741
 1070    H    GLU 112           H        GLU 112 -14.161 -10.618   0.205
 1071    HA   GLU 112           HA       GLU 112 -13.538  -8.346  -1.517
 1072   1HB   GLU 112          2HB       GLU 112 -12.439 -10.387  -2.839
 1073   2HB   GLU 112          1HB       GLU 112 -11.597  -9.557  -1.543
 1074   1HG   GLU 112          2HG       GLU 112 -11.410 -12.051  -1.366
 1075   2HG   GLU 112          1HG       GLU 112 -12.178 -11.270   0.027
 1076    QB   GLU 112           QB       GLU 112 -12.018  -9.972  -2.191
 1077    QG   GLU 112           QG       GLU 112 -11.794 -11.661  -0.670
 1078    H    ALA 113           H        ALA 113 -15.388 -11.208  -1.151
 1079    HA   ALA 113           HA       ALA 113 -17.244 -11.993  -1.956
 1080   1HB   ALA 113          3HB       ALA 113 -18.776 -10.725  -3.330
 1081   2HB   ALA 113          2HB       ALA 113 -18.122  -9.673  -2.075
 1082   3HB   ALA 113          1HB       ALA 113 -17.510  -9.565  -3.727
 1083    MB   ALA 113           QB       ALA 113 -18.136  -9.988  -3.044
 1084    H    ASP 114           H        ASP 114 -17.181 -13.683  -2.898
 1085    HA   ASP 114           HA       ASP 114 -17.219 -15.263  -4.433
 1086   1HB   ASP 114          2HB       ASP 114 -18.398 -13.706  -5.881
 1087   2HB   ASP 114          1HB       ASP 114 -16.867 -13.129  -6.531
 1088    QB   ASP 114           QB       ASP 114 -17.633 -13.417  -6.206
 1089    H    MET 115           H        MET 115 -14.452 -13.155  -4.754
 1090    HA   MET 115           HA       MET 115 -12.952 -15.232  -6.145
 1091   1HB   MET 115          2HB       MET 115 -11.053 -13.726  -6.143
 1092   2HB   MET 115          1HB       MET 115 -12.481 -12.858  -6.672
 1093   1HG   MET 115          2HG       MET 115 -12.674 -11.830  -4.475
 1094   2HG   MET 115          1HG       MET 115 -11.267 -12.730  -3.920
 1095   1HE   MET 115          3HE       MET 115  -8.812 -12.402  -4.939
 1096   2HE   MET 115          2HE       MET 115  -9.390 -12.557  -6.597
 1097   3HE   MET 115          1HE       MET 115  -8.400 -11.177  -6.142
 1098    QB   MET 115           QB       MET 115 -11.767 -13.292  -6.407
 1099    QG   MET 115           QG       MET 115 -11.970 -12.280  -4.197
 1100    ME   MET 115           QE       MET 115  -8.867 -12.045  -5.893
 1101    H    ARG 116           H        ARG 116 -13.843 -14.837  -3.154
 1102    HA   ARG 116           HA       ARG 116 -11.800 -15.403  -1.437
 1103   1HB   ARG 116          2HB       ARG 116 -13.501 -16.497   0.004
 1104   2HB   ARG 116          1HB       ARG 116 -13.947 -14.908  -0.593
 1105   1HG   ARG 116          2HG       ARG 116 -15.344 -15.974  -2.310
 1106   2HG   ARG 116          1HG       ARG 116 -14.924 -17.552  -1.637
 1107   1HD   ARG 116          2HD       ARG 116 -15.898 -16.911   0.492
 1108   2HD   ARG 116          1HD       ARG 116 -16.278 -15.318  -0.156
 1109    HE   ARG 116           HE       ARG 116 -17.442 -17.137  -1.861
 1110   1HH1  ARG 116          1HH1      ARG 116 -17.728 -16.377   1.577
 1111   2HH1  ARG 116          2HH1      ARG 116 -19.395 -16.707   1.669
 1112   1HH2  ARG 116          1HH2      ARG 116 -19.734 -17.621  -1.740
 1113   2HH2  ARG 116          2HH2      ARG 116 -20.561 -17.446  -0.267
 1114    QB   ARG 116           QB       ARG 116 -13.724 -15.703  -0.294
 1115    QG   ARG 116           QG       ARG 116 -15.134 -16.763  -1.973
 1116    QD   ARG 116           QD       ARG 116 -16.088 -16.115   0.168
 1117    QH1  ARG 116           QH1      ARG 116 -18.562 -16.542   1.623
 1118    QH2  ARG 116           QH2      ARG 116 -20.147 -17.533  -1.004
 1119    H    SER 117           H        SER 117 -13.187 -17.604  -3.746
 1120    HA   SER 117           HA       SER 117 -12.378 -19.996  -2.522
 1121   1HB   SER 117          2HB       SER 117 -12.733 -20.707  -5.004
 1122   2HB   SER 117          1HB       SER 117 -14.116 -20.140  -4.057
 1123    HG   SER 117           HG       SER 117 -13.431 -19.186  -6.301
 1124    QB   SER 117           QB       SER 117 -13.424 -20.424  -4.531
 1125    H    LEU 118           H        LEU 118 -10.634 -17.498  -3.963
 1126    HA   LEU 118           HA       LEU 118  -8.550 -19.185  -5.100
 1127   1HB   LEU 118          2HB       LEU 118  -8.788 -16.202  -5.069
 1128   2HB   LEU 118          1HB       LEU 118  -7.745 -17.163  -6.096
 1129    HG   LEU 118           HG       LEU 118 -10.761 -17.016  -6.238
 1130   1HD1  LEU 118          2HD1      LEU 118  -9.656 -15.015  -7.040
 1131   2HD1  LEU 118          1HD1      LEU 118  -8.637 -15.983  -8.099
 1132   3HD1  LEU 118          3HD1      LEU 118 -10.376 -15.911  -8.379
 1133   1HD2  LEU 118          3HD2      LEU 118  -8.810 -18.542  -7.984
 1134   2HD2  LEU 118          2HD2      LEU 118  -9.989 -19.245  -6.873
 1135   3HD2  LEU 118          1HD2      LEU 118 -10.539 -18.363  -8.292
 1136    MD1  LEU 118           QD1      LEU 118  -9.556 -15.636  -7.839
 1137    MD2  LEU 118           QD2      LEU 118  -9.779 -18.717  -7.716
 1138    QB   LEU 118           QB       LEU 118  -8.267 -16.682  -5.583
 1139    QD   LEU 118           QQD      LEU 118  -9.668 -17.177  -7.778
 1140    H    GLY 119           H        GLY 119  -9.162 -18.274  -2.042
 1141   1HA   GLY 119          1HA       GLY 119  -6.739 -16.914  -1.326
 1142   2HA   GLY 119          2HA       GLY 119  -6.579 -18.646  -1.092
 1143    QA   GLY 119           QA       GLY 119  -6.659 -17.780  -1.209
 1144    H    LEU 120           H        LEU 120  -9.273 -16.431  -0.484
 1145    HA   LEU 120           HA       LEU 120  -9.018 -16.282   2.306
 1146   1HB   LEU 120          2HB       LEU 120 -10.488 -14.810   0.836
 1147   2HB   LEU 120          1HB       LEU 120 -11.554 -16.212   0.758
 1148    HG   LEU 120           HG       LEU 120 -11.941 -16.094   3.170
 1149   1HD1  LEU 120          3HD1      LEU 120 -10.292 -13.585   3.058
 1150   2HD1  LEU 120          2HD1      LEU 120 -11.266 -14.106   4.433
 1151   3HD1  LEU 120          1HD1      LEU 120  -9.888 -15.077   3.906
 1152   1HD2  LEU 120          2HD2      LEU 120 -12.521 -13.528   1.694
 1153   2HD2  LEU 120          1HD2      LEU 120 -13.512 -14.984   1.677
 1154   3HD2  LEU 120          3HD2      LEU 120 -13.326 -14.060   3.166
 1155    MD1  LEU 120           QD1      LEU 120 -10.482 -14.256   3.799
 1156    MD2  LEU 120           QD2      LEU 120 -13.120 -14.191   2.179
 1157    QB   LEU 120           QB       LEU 120 -11.021 -15.511   0.797
 1158    QD   LEU 120           QQD      LEU 120 -11.801 -14.223   2.989
 1159    H    ALA 121           H        ALA 121 -11.334 -18.169   0.409
 1160    HA   ALA 121           HA       ALA 121 -11.697 -19.782   2.735
 1161   1HB   ALA 121          3HB       ALA 121 -13.513 -19.533   0.336
 1162   2HB   ALA 121          2HB       ALA 121 -13.836 -20.526   1.757
 1163   3HB   ALA 121          1HB       ALA 121 -13.756 -18.773   1.907
 1164    MB   ALA 121           QB       ALA 121 -13.702 -19.611   1.334
 1165    H    GLU 122           H        GLU 122  -9.757 -20.876   2.267
 1166    HA   GLU 122           HA       GLU 122  -9.278 -22.277  -0.157
 1167   1HB   GLU 122          2HB       GLU 122  -7.427 -21.556   1.224
 1168   2HB   GLU 122          1HB       GLU 122  -8.013 -22.502   2.577
 1169   1HG   GLU 122          2HG       GLU 122  -6.071 -23.511   1.484
 1170   2HG   GLU 122          1HG       GLU 122  -7.487 -24.553   1.426
 1171    QB   GLU 122           QB       GLU 122  -7.720 -22.029   1.901
 1172    QG   GLU 122           QG       GLU 122  -6.779 -24.032   1.455
 1173    H    SER 123           H        SER 123 -10.300 -23.416   3.070
 1174    HA   SER 123           HA       SER 123 -11.674 -25.621   1.789
 1175   1HB   SER 123          2HB       SER 123  -9.630 -26.023   3.998
 1176   2HB   SER 123          1HB       SER 123 -10.651 -27.274   3.291
 1177    HG   SER 123           HG       SER 123  -9.256 -25.854   1.436
 1178    QB   SER 123           QB       SER 123 -10.140 -26.649   3.645
 1179    H    ARG 124           H        ARG 124 -12.913 -26.842   3.480
 1180    HA   ARG 124           HA       ARG 124 -14.274 -24.763   5.005
 1181   1HB   ARG 124          2HB       ARG 124 -15.270 -27.512   4.271
 1182   2HB   ARG 124          1HB       ARG 124 -16.204 -26.214   4.985
 1183   1HG   ARG 124          2HG       ARG 124 -15.116 -26.408   2.184
 1184   2HG   ARG 124          1HG       ARG 124 -16.799 -26.297   2.698
 1185   1HD   ARG 124          2HD       ARG 124 -14.676 -24.183   2.857
 1186   2HD   ARG 124          1HD       ARG 124 -16.081 -24.174   1.796
 1187    HE   ARG 124           HE       ARG 124 -16.799 -24.336   4.559
 1188   1HH1  ARG 124          1HH1      ARG 124 -16.153 -22.095   1.903
 1189   2HH1  ARG 124          2HH1      ARG 124 -16.753 -20.730   2.725
 1190   1HH2  ARG 124          1HH2      ARG 124 -17.593 -22.452   5.702
 1191   2HH2  ARG 124          2HH2      ARG 124 -17.556 -20.929   4.936
 1192    QB   ARG 124           QB       ARG 124 -15.737 -26.863   4.628
 1193    QG   ARG 124           QG       ARG 124 -15.957 -26.352   2.441
 1194    QD   ARG 124           QD       ARG 124 -15.378 -24.179   2.327
 1195    QH1  ARG 124           QH1      ARG 124 -16.453 -21.412   2.314
 1196    QH2  ARG 124           QH2      ARG 124 -17.574 -21.691   5.319
 1197    H    GLN 125           H        GLN 125 -13.275 -28.162   5.289
 1198    HA   GLN 125           HA       GLN 125 -12.572 -27.880   8.024
 1199   1HB   GLN 125          2HB       GLN 125 -15.056 -27.925   8.206
 1200   2HB   GLN 125          1HB       GLN 125 -15.089 -29.429   7.312
 1201   1HG   GLN 125          2HG       GLN 125 -13.505 -29.424   9.803
 1202   2HG   GLN 125          1HG       GLN 125 -15.249 -29.259   9.976
 1203   1HE2  GLN 125          1HE2      GLN 125 -15.465 -31.224  10.964
 1204   2HE2  GLN 125          2HE2      GLN 125 -15.305 -32.718  10.126
 1205    QB   GLN 125           QB       GLN 125 -15.072 -28.677   7.759
 1206    QG   GLN 125           QG       GLN 125 -14.377 -29.342   9.889
 1207    QE   GLN 125           QE2      GLN 125 -15.385 -31.971  10.545

  No H/Q in entry =        1207
  Start of MODEL    2
    1    H1   LEU   5          3HT       LEU   5  -5.124  32.161 -27.486
    2    H2   LEU   5          2HT       LEU   5  -6.683  32.291 -26.846
    3    H3   LEU   5          1HT       LEU   5  -5.384  33.057 -26.102
    4    HA   LEU   5           HA       LEU   5  -5.903  31.133 -24.839
    5   1HB   LEU   5          2HB       LEU   5  -6.931  29.835 -26.671
    6   2HB   LEU   5          1HB       LEU   5  -5.354  29.662 -27.419
    7    HG   LEU   5           HG       LEU   5  -4.605  28.348 -25.446
    8   1HD1  LEU   5          1HD1      LEU   5  -6.172  29.206 -23.807
    9   2HD1  LEU   5          3HD1      LEU   5  -7.505  28.419 -24.655
   10   3HD1  LEU   5          2HD1      LEU   5  -6.240  27.448 -23.908
   11   1HD2  LEU   5          2HD2      LEU   5  -5.362  27.222 -27.472
   12   2HD2  LEU   5          1HD2      LEU   5  -5.806  26.308 -26.031
   13   3HD2  LEU   5          3HD2      LEU   5  -7.023  27.260 -26.880
   14    MD1  LEU   5           QD1      LEU   5  -6.639  28.358 -24.123
   15    MD2  LEU   5           QD2      LEU   5  -6.064  26.930 -26.794
   16    QB   LEU   5           QB       LEU   5  -6.143  29.749 -27.045
   17    QD   LEU   5           QQD      LEU   5  -6.351  27.644 -25.459
   18    H    GLU   6           H        GLU   6  -4.237  30.248 -23.689
   19    HA   GLU   6           HA       GLU   6  -1.556  30.677 -24.695
   20   1HB   GLU   6          2HB       GLU   6  -2.165  31.894 -22.584
   21   2HB   GLU   6          1HB       GLU   6  -2.593  30.297 -21.967
   22   1HG   GLU   6          2HG       GLU   6  -0.515  31.287 -21.143
   23   2HG   GLU   6          1HG       GLU   6  -0.342  29.652 -21.807
   24    QB   GLU   6           QB       GLU   6  -2.379  31.096 -22.275
   25    QG   GLU   6           QG       GLU   6  -0.429  30.469 -21.475
   26    H    ALA   7           H        ALA   7  -0.096  29.028 -24.326
   27    HA   ALA   7           HA       ALA   7  -1.145  26.374 -24.803
   28   1HB   ALA   7          2HB       ALA   7   0.928  27.207 -25.867
   29   2HB   ALA   7          1HB       ALA   7   1.723  27.177 -24.290
   30   3HB   ALA   7          3HB       ALA   7   1.140  25.677 -25.021
   31    MB   ALA   7           QB       ALA   7   1.264  26.687 -25.059
   32    H    ASP   8           H        ASP   8  -0.826  24.533 -23.567
   33    HA   ASP   8           HA       ASP   8  -1.426  25.074 -20.791
   34   1HB   ASP   8          2HB       ASP   8  -2.717  23.396 -22.045
   35   2HB   ASP   8          1HB       ASP   8  -1.256  22.437 -22.260
   36    QB   ASP   8           QB       ASP   8  -1.987  22.917 -22.152
   37    H    VAL   9           H        VAL   9  -0.200  24.624 -19.010
   38    HA   VAL   9           HA       VAL   9   2.479  24.507 -19.382
   39    HB   VAL   9           HB       VAL   9   2.680  24.592 -16.895
   40   1HG1  VAL   9          3HG1      VAL   9   0.747  26.517 -18.188
   41   2HG1  VAL   9          2HG1      VAL   9   1.630  26.808 -16.693
   42   3HG1  VAL   9          1HG1      VAL   9   2.509  26.630 -18.214
   43   1HG2  VAL   9          2HG2      VAL   9  -0.284  24.446 -17.136
   44   2HG2  VAL   9          1HG2      VAL   9   0.764  23.266 -16.360
   45   3HG2  VAL   9          3HG2      VAL   9   0.559  24.878 -15.635
   46    MG1  VAL   9           QG1      VAL   9   1.629  26.652 -17.699
   47    MG2  VAL   9           QG2      VAL   9   0.346  24.197 -16.377
   48    QG   VAL   9           QQG      VAL   9   0.988  25.424 -17.038
   49    H    THR  10           H        THR  10   0.524  21.999 -19.603
   50    HA   THR  10           HA       THR  10   0.592  19.815 -19.611
   51    HB   THR  10           HB       THR  10   2.534  18.546 -19.477
   52    HG1  THR  10          1HG       THR  10   3.642  20.853 -18.293
   53   1HG2  THR  10          2HG2      THR  10   2.230  19.753 -21.523
   54   2HG2  THR  10          1HG2      THR  10   3.120  21.135 -20.893
   55   3HG2  THR  10          3HG2      THR  10   3.957  19.609 -21.198
   56    MG   THR  10           QG2      THR  10   3.102  20.166 -21.204
   57    H    MET  11           H        MET  11   1.633  17.835 -17.924
   58    HA   MET  11           HA       MET  11  -0.202  18.265 -15.762
   59   1HB   MET  11          2HB       MET  11   1.482  15.897 -16.552
   60   2HB   MET  11          1HB       MET  11   0.343  15.913 -15.222
   61   1HG   MET  11          2HG       MET  11  -0.660  14.792 -17.048
   62   2HG   MET  11          1HG       MET  11  -1.422  16.375 -16.909
   63   1HE   MET  11          2HE       MET  11  -2.431  15.834 -19.360
   64   2HE   MET  11          1HE       MET  11  -1.427  15.512 -20.773
   65   3HE   MET  11          3HE       MET  11  -1.504  14.339 -19.461
   66    QB   MET  11           QB       MET  11   0.913  15.905 -15.887
   67    QG   MET  11           QG       MET  11  -1.041  15.583 -16.978
   68    ME   MET  11           QE       MET  11  -1.787  15.228 -19.865
   69    H    THR  12           H        THR  12   2.594  19.529 -15.955
   70    HA   THR  12           HA       THR  12   4.481  18.399 -14.279
   71    HB   THR  12           HB       THR  12   5.249  20.616 -13.887
   72    HG1  THR  12          1HG       THR  12   3.959  21.865 -15.957
   73   1HG2  THR  12          1HG2      THR  12   6.172  19.270 -15.650
   74   2HG2  THR  12          3HG2      THR  12   4.868  19.735 -16.743
   75   3HG2  THR  12          2HG2      THR  12   6.061  20.930 -16.237
   76    MG   THR  12           QG2      THR  12   5.700  19.978 -16.210
   77    H    GLY  13           H        GLY  13   4.863  18.145 -12.301
   78   1HA   GLY  13          1HA       GLY  13   3.492  17.955 -10.161
   79   2HA   GLY  13          2HA       GLY  13   3.477  19.721 -10.274
   80    QA   GLY  13           QA       GLY  13   3.484  18.838 -10.218
   81    H    SER  14           H        SER  14   4.847  20.102  -8.497
   82    HA   SER  14           HA       SER  14   7.588  19.715  -9.263
   83   1HB   SER  14          2HB       SER  14   6.413  21.449  -7.110
   84   2HB   SER  14          1HB       SER  14   8.088  21.463  -7.673
   85    HG   SER  14           HG       SER  14   6.889  21.733  -9.841
   86    QB   SER  14           QB       SER  14   7.250  21.456  -7.391
   87    H    ASP  15           H        ASP  15   5.791  19.275  -6.096
   88    HA   ASP  15           HA       ASP  15   8.070  17.742  -5.361
   89   1HB   ASP  15          2HB       ASP  15   7.366  18.436  -3.102
   90   2HB   ASP  15          1HB       ASP  15   8.276  19.656  -3.978
   91    QB   ASP  15           QB       ASP  15   7.821  19.046  -3.540
   92    H    LEU  16           H        LEU  16   6.372  16.424  -6.558
   93    HA   LEU  16           HA       LEU  16   5.276  14.801  -4.420
   94   1HB   LEU  16          2HB       LEU  16   4.388  14.865  -7.268
   95   2HB   LEU  16          1HB       LEU  16   3.692  13.890  -5.983
   96    HG   LEU  16           HG       LEU  16   2.160  15.491  -6.344
   97   1HD1  LEU  16          3HD1      LEU  16   2.495  15.386  -4.021
   98   2HD1  LEU  16          2HD1      LEU  16   3.728  16.646  -4.092
   99   3HD1  LEU  16          1HD1      LEU  16   2.052  17.031  -4.472
  100   1HD2  LEU  16          3HD2      LEU  16   4.330  17.503  -6.736
  101   2HD2  LEU  16          2HD2      LEU  16   3.168  16.802  -7.882
  102   3HD2  LEU  16          1HD2      LEU  16   2.594  17.907  -6.634
  103    MD1  LEU  16           QD1      LEU  16   2.758  16.354  -4.195
  104    MD2  LEU  16           QD2      LEU  16   3.364  17.404  -7.084
  105    QB   LEU  16           QB       LEU  16   4.040  14.378  -6.626
  106    QD   LEU  16           QQD      LEU  16   3.061  16.879  -5.639
  107    H    VAL  17           H        VAL  17   5.409  12.649  -4.650
  108    HA   VAL  17           HA       VAL  17   7.442  11.778  -6.308
  109    HB   VAL  17           HB       VAL  17   7.646  11.962  -3.320
  110   1HG1  VAL  17          2HG1      VAL  17   8.947  10.070  -5.103
  111   2HG1  VAL  17          1HG1      VAL  17   9.649  10.495  -3.485
  112   3HG1  VAL  17          3HG1      VAL  17   8.016   9.775  -3.595
  113   1HG2  VAL  17          2HG2      VAL  17   8.740  13.718  -4.672
  114   2HG2  VAL  17          1HG2      VAL  17   9.907  12.772  -3.744
  115   3HG2  VAL  17          3HG2      VAL  17   9.706  12.481  -5.464
  116    MG1  VAL  17           QG1      VAL  17   8.871  10.113  -4.061
  117    MG2  VAL  17           QG2      VAL  17   9.451  12.990  -4.627
  118    QG   VAL  17           QQG      VAL  17   9.161  11.552  -4.344
  119    H    SER  18           H        SER  18   7.374   9.417  -6.304
  120    HA   SER  18           HA       SER  18   5.152   8.116  -4.929
  121   1HB   SER  18          2HB       SER  18   5.857   7.814  -7.841
  122   2HB   SER  18          1HB       SER  18   4.925   6.599  -6.964
  123    HG   SER  18           HG       SER  18   3.641   8.524  -6.334
  124    QB   SER  18           QB       SER  18   5.391   7.207  -7.402
  125    H    CYS  19           H        CYS  19   6.068   6.772  -3.581
  126    HA   CYS  19           HA       CYS  19   8.358   5.204  -4.432
  127   1HB   CYS  19          2HB       CYS  19   6.874   5.380  -1.792
  128   2HB   CYS  19          1HB       CYS  19   8.225   4.299  -2.095
  129    HG   CYS  19           HG       CYS  19   9.471   6.106  -0.734
  130    QB   CYS  19           QB       CYS  19   7.549   4.839  -1.944
  131    H    CYS  20           H        CYS  20   8.054   3.201  -5.234
  132    HA   CYS  20           HA       CYS  20   5.273   2.230  -5.217
  133   1HB   CYS  20          2HB       CYS  20   7.365   1.897  -7.374
  134   2HB   CYS  20          1HB       CYS  20   5.686   1.375  -7.456
  135    HG   CYS  20           HG       CYS  20   7.011   4.427  -7.938
  136    QB   CYS  20           QB       CYS  20   6.526   1.636  -7.415
  137    H    TYR  21           H        TYR  21   5.275   0.420  -3.863
  138    HA   TYR  21           HA       TYR  21   7.856  -0.948  -3.768
  139   1HB   TYR  21          2HB       TYR  21   7.776  -1.125  -1.462
  140   2HB   TYR  21          1HB       TYR  21   7.405   0.561  -1.880
  141    HD1  TYR  21          1HD       TYR  21   5.809  -2.642  -0.764
  142    HD2  TYR  21          2HD       TYR  21   5.817   1.608  -0.770
  143    HE1  TYR  21          1HE       TYR  21   4.082  -2.626   0.975
  144    HE2  TYR  21          2HE       TYR  21   4.129   1.621   0.958
  145    HH   TYR  21           HH       TYR  21   2.367   0.084   1.843
  146    QB   TYR  21           QB       TYR  21   7.590  -0.282  -1.671
  147    QD   TYR  21           QD       TYR  21   5.813  -0.517  -0.767
  148    QE   TYR  21           QE       TYR  21   4.106  -0.503   0.966
  149    QR   TYR  21           QR       TYR  21   4.959  -0.510   0.100
  150    H    ARG  22           H        ARG  22   7.687  -3.012  -2.691
  151    HA   ARG  22           HA       ARG  22   5.150  -4.381  -3.268
  152   1HB   ARG  22          2HB       ARG  22   6.325  -6.312  -3.914
  153   2HB   ARG  22          1HB       ARG  22   7.088  -4.975  -4.760
  154   1HG   ARG  22          2HG       ARG  22   8.920  -4.953  -3.226
  155   2HG   ARG  22          1HG       ARG  22   8.132  -6.164  -2.208
  156   1HD   ARG  22          2HD       ARG  22   8.127  -7.637  -4.189
  157   2HD   ARG  22          1HD       ARG  22   9.193  -6.433  -4.953
  158    HE   ARG  22           HE       ARG  22  10.012  -7.427  -2.354
  159   1HH1  ARG  22          1HH1      ARG  22  10.434  -7.694  -5.873
  160   2HH1  ARG  22          2HH1      ARG  22  11.929  -8.490  -5.781
  161   1HH2  ARG  22          1HH2      ARG  22  12.040  -8.532  -2.234
  162   2HH2  ARG  22          2HH2      ARG  22  12.836  -9.066  -3.644
  163    QB   ARG  22           QB       ARG  22   6.707  -5.643  -4.337
  164    QG   ARG  22           QG       ARG  22   8.526  -5.559  -2.717
  165    QD   ARG  22           QD       ARG  22   8.660  -7.035  -4.571
  166    QH1  ARG  22           QH1      ARG  22  11.181  -8.092  -5.827
  167    QH2  ARG  22           QH2      ARG  22  12.438  -8.799  -2.939
  168    H    SER  23           H        SER  23   4.772  -6.159  -1.900
  169    HA   SER  23           HA       SER  23   6.582  -6.658   0.216
  170   1HB   SER  23          2HB       SER  23   3.754  -5.756   0.815
  171   2HB   SER  23          1HB       SER  23   4.785  -6.582   1.984
  172    HG   SER  23           HG       SER  23   5.823  -4.388   0.687
  173    QB   SER  23           QB       SER  23   4.270  -6.169   1.399
  174    H    LEU  24           H        LEU  24   6.087  -8.654   1.158
  175    HA   LEU  24           HA       LEU  24   4.247 -10.244  -0.525
  176   1HB   LEU  24          2HB       LEU  24   6.644 -11.158   1.079
  177   2HB   LEU  24          1HB       LEU  24   5.488 -12.272   0.392
  178    HG   LEU  24           HG       LEU  24   7.425 -12.223  -1.004
  179   1HD1  LEU  24          1HD1      LEU  24   5.326 -12.468  -2.141
  180   2HD1  LEU  24          3HD1      LEU  24   5.208 -10.721  -2.349
  181   3HD1  LEU  24          2HD1      LEU  24   6.493 -11.626  -3.153
  182   1HD2  LEU  24          1HD2      LEU  24   8.347 -10.033  -0.409
  183   2HD2  LEU  24          3HD2      LEU  24   8.210 -10.212  -2.164
  184   3HD2  LEU  24          2HD2      LEU  24   7.022  -9.250  -1.286
  185    MD1  LEU  24           QD1      LEU  24   5.676 -11.605  -2.548
  186    MD2  LEU  24           QD2      LEU  24   7.860  -9.832  -1.286
  187    QB   LEU  24           QB       LEU  24   6.066 -11.715   0.735
  188    QD   LEU  24           QQD      LEU  24   6.768 -10.718  -1.917
  189    H    ALA  25           H        ALA  25   2.756  -8.989   0.998
  190    HA   ALA  25           HA       ALA  25   2.087  -8.696   3.391
  191   1HB   ALA  25          2HB       ALA  25   0.374  -8.689   1.656
  192   2HB   ALA  25          1HB       ALA  25   0.191 -10.439   1.847
  193   3HB   ALA  25          3HB       ALA  25  -0.199  -9.353   3.180
  194    MB   ALA  25           QB       ALA  25   0.122  -9.494   2.228
  195    H    ALA  26           H        ALA  26   2.523  -9.454   5.358
  196    HA   ALA  26           HA       ALA  26   3.600 -11.882   5.651
  197   1HB   ALA  26          2HB       ALA  26   4.177  -9.997   6.983
  198   2HB   ALA  26          1HB       ALA  26   2.537  -9.890   7.615
  199   3HB   ALA  26          3HB       ALA  26   3.554 -11.267   8.048
  200    MB   ALA  26           QB       ALA  26   3.423 -10.385   7.549
  201    HA   PRO  27           HA       PRO  27  -0.334 -14.230   6.228
  202   1HB   PRO  27          2HB       PRO  27   0.898 -16.495   7.109
  203   2HB   PRO  27          1HB       PRO  27   0.881 -16.032   5.399
  204   1HG   PRO  27          2HG       PRO  27   2.959 -15.251   7.447
  205   2HG   PRO  27          1HG       PRO  27   3.259 -16.229   5.954
  206   1HD   PRO  27          2HD       PRO  27   3.761 -13.754   6.028
  207   2HD   PRO  27          1HD       PRO  27   2.706 -14.280   4.691
  208    QB   PRO  27           QB       PRO  27   0.889 -16.264   6.254
  209    QG   PRO  27           QG       PRO  27   3.109 -15.740   6.700
  210    QD   PRO  27           QD       PRO  27   3.233 -14.017   5.360
  211    H    ASP  28           H        ASP  28   1.685 -13.008   8.356
  212    HA   ASP  28           HA       ASP  28   0.916 -14.253  10.875
  213   1HB   ASP  28          2HB       ASP  28   3.200 -13.399  10.469
  214   2HB   ASP  28          1HB       ASP  28   2.556 -11.782  10.279
  215    QB   ASP  28           QB       ASP  28   2.878 -12.591  10.374
  216    H    LEU  29           H        LEU  29  -0.225 -11.803   8.846
  217    HA   LEU  29           HA       LEU  29  -1.344 -10.040  10.840
  218   1HB   LEU  29          2HB       LEU  29  -1.800 -10.131   7.868
  219   2HB   LEU  29          1HB       LEU  29  -2.144  -8.788   8.940
  220    HG   LEU  29           HG       LEU  29   0.586  -9.853   8.266
  221   1HD1  LEU  29          3HD1      LEU  29  -0.563  -8.748   6.384
  222   2HD1  LEU  29          2HD1      LEU  29  -0.731  -7.297   7.380
  223   3HD1  LEU  29          1HD1      LEU  29   0.874  -7.884   6.928
  224   1HD2  LEU  29          1HD2      LEU  29   0.514  -8.874  10.490
  225   2HD2  LEU  29          3HD2      LEU  29   1.426  -7.847   9.388
  226   3HD2  LEU  29          2HD2      LEU  29  -0.225  -7.407   9.844
  227    MD1  LEU  29           QD1      LEU  29  -0.140  -7.977   6.897
  228    MD2  LEU  29           QD2      LEU  29   0.572  -8.043   9.908
  229    QB   LEU  29           QB       LEU  29  -1.972  -9.460   8.404
  230    QD   LEU  29           QQD      LEU  29   0.216  -8.010   8.402
  231    H    THR  30           H        THR  30  -3.672  -9.502  10.728
  232    HA   THR  30           HA       THR  30  -5.399 -11.838  10.262
  233    HB   THR  30           HB       THR  30  -7.061 -10.478  11.439
  234    HG1  THR  30          1HG       THR  30  -4.996  -8.907  12.503
  235   1HG2  THR  30          2HG2      THR  30  -4.581 -11.062  12.983
  236   2HG2  THR  30          1HG2      THR  30  -6.234 -10.767  13.609
  237   3HG2  THR  30          3HG2      THR  30  -5.924 -12.186  12.600
  238    MG   THR  30           QG2      THR  30  -5.579 -11.338  13.064
  239    H    LEU  31           H        LEU  31  -7.625 -11.121   9.596
  240    HA   LEU  31           HA       LEU  31  -7.688  -9.513   7.202
  241   1HB   LEU  31          2HB       LEU  31  -9.234 -11.361   7.918
  242   2HB   LEU  31          1HB       LEU  31  -9.703 -10.154   9.142
  243    HG   LEU  31           HG       LEU  31 -10.555  -8.669   7.412
  244   1HD1  LEU  31          2HD1      LEU  31  -9.158  -9.345   5.564
  245   2HD1  LEU  31          1HD1      LEU  31  -9.978 -10.907   5.480
  246   3HD1  LEU  31          3HD1      LEU  31 -10.863  -9.414   5.137
  247   1HD2  LEU  31          1HD2      LEU  31 -12.054 -10.194   8.528
  248   2HD2  LEU  31          3HD2      LEU  31 -12.568  -9.923   6.861
  249   3HD2  LEU  31          2HD2      LEU  31 -11.753 -11.433   7.310
  250    MD1  LEU  31           QD1      LEU  31 -10.000  -9.889   5.393
  251    MD2  LEU  31           QD2      LEU  31 -12.125 -10.517   7.566
  252    QB   LEU  31           QB       LEU  31  -9.469 -10.757   8.530
  253    QD   LEU  31           QQD      LEU  31 -11.062 -10.203   6.480
  254    H    ARG  32           H        ARG  32  -8.366  -8.933  10.686
  255    HA   ARG  32           HA       ARG  32  -9.529  -6.468   9.863
  256   1HB   ARG  32          2HB       ARG  32 -10.312  -7.482  12.002
  257   2HB   ARG  32          1HB       ARG  32  -8.721  -7.190  12.697
  258   1HG   ARG  32          2HG       ARG  32 -10.299  -5.458  13.423
  259   2HG   ARG  32          1HG       ARG  32  -9.030  -4.761  12.416
  260   1HD   ARG  32          2HD       ARG  32 -10.667  -5.043  10.455
  261   2HD   ARG  32          1HD       ARG  32 -11.901  -5.340  11.667
  262    HE   ARG  32           HE       ARG  32 -10.366  -2.847  11.365
  263   1HH1  ARG  32          1HH1      ARG  32 -13.223  -4.470  12.591
  264   2HH1  ARG  32          2HH1      ARG  32 -14.226  -3.099  12.590
  265   1HH2  ARG  32          1HH2      ARG  32 -11.746  -0.899  11.261
  266   2HH2  ARG  32          2HH2      ARG  32 -13.355  -1.021  11.800
  267    QB   ARG  32           QB       ARG  32  -9.517  -7.336  12.349
  268    QG   ARG  32           QG       ARG  32  -9.664  -5.109  12.920
  269    QD   ARG  32           QD       ARG  32 -11.284  -5.192  11.061
  270    QH1  ARG  32           QH1      ARG  32 -13.725  -3.785  12.590
  271    QH2  ARG  32           QH2      ARG  32 -12.551  -0.960  11.531
  272    H    ASP  33           H        ASP  33  -6.437  -7.593  10.558
  273    HA   ASP  33           HA       ASP  33  -5.052  -5.202  10.950
  274   1HB   ASP  33          2HB       ASP  33  -4.243  -7.622  11.022
  275   2HB   ASP  33          1HB       ASP  33  -4.093  -7.509   9.278
  276    QB   ASP  33           QB       ASP  33  -4.168  -7.565  10.150
  277    H    LEU  34           H        LEU  34  -6.155  -6.832   7.920
  278    HA   LEU  34           HA       LEU  34  -4.889  -4.724   6.291
  279   1HB   LEU  34          2HB       LEU  34  -6.909  -6.814   5.437
  280   2HB   LEU  34          1HB       LEU  34  -6.243  -5.621   4.360
  281    HG   LEU  34           HG       LEU  34  -5.187  -7.701   3.921
  282   1HD1  LEU  34          2HD1      LEU  34  -3.676  -5.809   3.796
  283   2HD1  LEU  34          1HD1      LEU  34  -3.275  -6.007   5.504
  284   3HD1  LEU  34          3HD1      LEU  34  -2.835  -7.256   4.355
  285   1HD2  LEU  34          1HD2      LEU  34  -5.763  -8.671   6.050
  286   2HD2  LEU  34          3HD2      LEU  34  -4.083  -9.022   5.571
  287   3HD2  LEU  34          2HD2      LEU  34  -4.422  -7.758   6.778
  288    MD1  LEU  34           QD1      LEU  34  -3.262  -6.357   4.552
  289    MD2  LEU  34           QD2      LEU  34  -4.756  -8.484   6.133
  290    QB   LEU  34           QB       LEU  34  -6.576  -6.218   4.899
  291    QD   LEU  34           QQD      LEU  34  -4.009  -7.420   5.342
  292    H    LEU  35           H        LEU  35  -8.009  -5.507   7.434
  293    HA   LEU  35           HA       LEU  35  -9.294  -3.395   6.055
  294   1HB   LEU  35          2HB       LEU  35 -10.170  -5.219   8.274
  295   2HB   LEU  35          1HB       LEU  35 -11.193  -3.892   7.754
  296    HG   LEU  35           HG       LEU  35 -11.756  -6.165   6.725
  297   1HD1  LEU  35          2HD1      LEU  35 -12.496  -4.056   5.730
  298   2HD1  LEU  35          1HD1      LEU  35 -10.992  -3.954   4.823
  299   3HD1  LEU  35          3HD1      LEU  35 -12.128  -5.263   4.495
  300   1HD2  LEU  35          2HD2      LEU  35  -9.380  -6.881   6.375
  301   2HD2  LEU  35          1HD2      LEU  35 -10.327  -6.972   4.869
  302   3HD2  LEU  35          3HD2      LEU  35  -9.210  -5.642   5.192
  303    MD1  LEU  35           QD1      LEU  35 -11.872  -4.424   5.016
  304    MD2  LEU  35           QD2      LEU  35  -9.639  -6.498   5.479
  305    QB   LEU  35           QB       LEU  35 -10.682  -4.555   8.014
  306    QD   LEU  35           QQD      LEU  35 -10.755  -5.461   5.247
  307    H    ASP  36           H        ASP  36  -7.571  -3.545   8.858
  308    HA   ASP  36           HA       ASP  36  -8.373  -0.939   9.896
  309   1HB   ASP  36          2HB       ASP  36  -7.537  -2.602  11.453
  310   2HB   ASP  36          1HB       ASP  36  -5.996  -2.671  10.605
  311    QB   ASP  36           QB       ASP  36  -6.767  -2.637  11.029
  312    H    ILE  37           H        ILE  37  -5.619  -2.300   8.166
  313    HA   ILE  37           HA       ILE  37  -3.986  -0.130   7.838
  314    HB   ILE  37           HB       ILE  37  -4.558  -2.481   6.038
  315   1HG1  ILE  37          2HG1      ILE  37  -1.935  -1.766   7.259
  316   2HG1  ILE  37          1HG1      ILE  37  -3.137  -2.525   8.269
  317   1HG2  ILE  37          2HG2      ILE  37  -2.527  -0.329   5.447
  318   2HG2  ILE  37          1HG2      ILE  37  -2.631  -1.882   4.620
  319   3HG2  ILE  37          3HG2      ILE  37  -3.954  -0.721   4.483
  320   1HD1  ILE  37          1HD1      ILE  37  -2.099  -3.647   5.673
  321   2HD1  ILE  37          3HD1      ILE  37  -1.482  -4.087   7.259
  322   3HD1  ILE  37          2HD1      ILE  37  -3.132  -4.488   6.852
  323    MG   ILE  37           QG2      ILE  37  -3.037  -0.977   4.850
  324    MD   ILE  37           QD1      ILE  37  -2.238  -4.074   6.595
  325    QG   ILE  37           QG1      ILE  37  -2.536  -2.145   7.764
  326    H    VAL  38           H        VAL  38  -6.604  -1.179   5.712
  327    HA   VAL  38           HA       VAL  38  -6.454   0.922   3.886
  328    HB   VAL  38           HB       VAL  38  -7.822  -1.038   3.350
  329   1HG1  VAL  38          1HG1      VAL  38  -8.731  -1.499   5.540
  330   2HG1  VAL  38          3HG1      VAL  38  -9.775  -0.086   5.417
  331   3HG1  VAL  38          2HG1      VAL  38 -10.000  -1.448   4.316
  332   1HG2  VAL  38          2HG2      VAL  38  -9.479   1.473   3.388
  333   2HG2  VAL  38          1HG2      VAL  38  -8.392   0.953   2.105
  334   3HG2  VAL  38          3HG2      VAL  38  -9.857   0.029   2.448
  335    MG1  VAL  38           QG1      VAL  38  -9.502  -1.011   5.091
  336    MG2  VAL  38           QG2      VAL  38  -9.243   0.818   2.647
  337    QG   VAL  38           QQG      VAL  38  -9.372  -0.096   3.869
  338    H    GLU  39           H        GLU  39  -8.276   0.828   6.918
  339    HA   GLU  39           HA       GLU  39  -9.644   3.262   6.631
  340   1HB   GLU  39          2HB       GLU  39  -8.703   1.953   9.184
  341   2HB   GLU  39          1HB       GLU  39  -9.911   3.217   9.070
  342   1HG   GLU  39          2HG       GLU  39 -11.308   1.656   7.743
  343   2HG   GLU  39          1HG       GLU  39 -10.111   0.397   8.064
  344    QB   GLU  39           QB       GLU  39  -9.307   2.585   9.127
  345    QG   GLU  39           QG       GLU  39 -10.709   1.027   7.903
  346    H    THR  40           H        THR  40  -6.639   2.521   8.393
  347    HA   THR  40           HA       THR  40  -6.258   5.214   9.136
  348    HB   THR  40           HB       THR  40  -5.360   3.279  10.444
  349    HG1  THR  40          1HG       THR  40  -4.378   4.962  11.126
  350   1HG2  THR  40          3HG2      THR  40  -3.270   3.127   8.266
  351   2HG2  THR  40          2HG2      THR  40  -3.219   2.252   9.794
  352   3HG2  THR  40          1HG2      THR  40  -4.485   1.900   8.618
  353    MG   THR  40           QG2      THR  40  -3.658   2.426   8.893
  354    H    SER  41           H        SER  41  -5.088   3.341   6.378
  355    HA   SER  41           HA       SER  41  -3.076   5.117   5.557
  356   1HB   SER  41          2HB       SER  41  -3.335   2.731   4.790
  357   2HB   SER  41          1HB       SER  41  -4.693   3.251   3.798
  358    HG   SER  41           HG       SER  41  -3.250   3.756   2.347
  359    QB   SER  41           QB       SER  41  -4.014   2.991   4.294
  360    H    GLN  42           H        GLN  42  -6.484   4.816   4.530
  361    HA   GLN  42           HA       GLN  42  -6.541   6.854   2.583
  362   1HB   GLN  42          2HB       GLN  42  -8.660   5.850   4.437
  363   2HB   GLN  42          1HB       GLN  42  -8.974   6.990   3.138
  364   1HG   GLN  42          2HG       GLN  42  -8.455   5.449   1.501
  365   2HG   GLN  42          1HG       GLN  42  -7.657   4.375   2.653
  366   1HE2  GLN  42          1HE2      GLN  42  -9.857   4.666   4.618
  367   2HE2  GLN  42          2HE2      GLN  42 -11.079   3.665   3.884
  368    QB   GLN  42           QB       GLN  42  -8.817   6.420   3.787
  369    QG   GLN  42           QG       GLN  42  -8.056   4.912   2.077
  370    QE   GLN  42           QE2      GLN  42 -10.468   4.165   4.251
  371    H    ALA  43           H        ALA  43  -7.213   6.903   5.989
  372    HA   ALA  43           HA       ALA  43  -8.145   9.542   6.099
  373   1HB   ALA  43          2HB       ALA  43  -8.180   9.188   8.463
  374   2HB   ALA  43          3HB       ALA  43  -7.032   7.837   8.308
  375   3HB   ALA  43          1HB       ALA  43  -8.642   7.696   7.606
  376    MB   ALA  43           QB       ALA  43  -7.951   8.240   8.125
  377    H    HIS  44           H        HIS  44  -4.942   8.176   6.747
  378    HA   HIS  44           HA       HIS  44  -3.842  10.739   7.416
  379   1HB   HIS  44          2HB       HIS  44  -2.888   8.445   8.105
  380   2HB   HIS  44          1HB       HIS  44  -2.352   8.355   6.423
  381    HD1  HIS  44          1HD       HIS  44  -1.478   9.866   9.696
  382    HD2  HIS  44          2HD       HIS  44  -0.161  10.141   5.765
  383    HE1  HIS  44          1HE       HIS  44   0.743  10.971   9.815
  384    HE2  HIS  44          2HE       HIS  44   1.623  10.984   7.514
  385    QB   HIS  44           QB       HIS  44  -2.620   8.400   7.264
  386    H    ASN  45           H        ASN  45  -4.054   8.773   4.483
  387    HA   ASN  45           HA       ASN  45  -2.396  10.427   2.943
  388   1HB   ASN  45          2HB       ASN  45  -4.303   8.269   2.277
  389   2HB   ASN  45          1HB       ASN  45  -3.885   9.391   0.979
  390   1HD2  ASN  45          1HD2      ASN  45  -2.737   7.809  -0.131
  391   2HD2  ASN  45          2HD2      ASN  45  -1.206   7.228   0.425
  392    QB   ASN  45           QB       ASN  45  -4.094   8.830   1.628
  393    QD   ASN  45           QD2      ASN  45  -1.971   7.518   0.147
  394    H    ALA  46           H        ALA  46  -5.889  10.490   3.335
  395    HA   ALA  46           HA       ALA  46  -6.392  12.550   1.504
  396   1HB   ALA  46          2HB       ALA  46  -8.448  12.952   2.789
  397   2HB   ALA  46          3HB       ALA  46  -7.803  11.984   4.116
  398   3HB   ALA  46          1HB       ALA  46  -8.180  11.223   2.571
  399    MB   ALA  46           QB       ALA  46  -8.144  12.053   3.159
  400    H    ARG  47           H        ARG  47  -5.446  12.581   4.858
  401    HA   ARG  47           HA       ARG  47  -5.552  15.377   5.231
  402   1HB   ARG  47          2HB       ARG  47  -5.519  13.515   6.977
  403   2HB   ARG  47          1HB       ARG  47  -3.789  13.462   6.606
  404   1HG   ARG  47          2HG       ARG  47  -3.381  15.566   7.476
  405   2HG   ARG  47          1HG       ARG  47  -5.099  15.979   7.532
  406   1HD   ARG  47          2HD       ARG  47  -3.745  13.838   9.158
  407   2HD   ARG  47          1HD       ARG  47  -4.245  15.430   9.745
  408    HE   ARG  47           HE       ARG  47  -6.516  14.457   8.733
  409   1HH1  ARG  47          1HH1      ARG  47  -4.259  13.107  11.126
  410   2HH1  ARG  47          2HH1      ARG  47  -5.416  12.133  11.874
  411   1HH2  ARG  47          1HH2      ARG  47  -8.129  13.092   9.803
  412   2HH2  ARG  47          2HH2      ARG  47  -7.644  12.112  11.090
  413    QB   ARG  47           QB       ARG  47  -4.654  13.488   6.792
  414    QG   ARG  47           QG       ARG  47  -4.240  15.772   7.504
  415    QD   ARG  47           QD       ARG  47  -3.995  14.634   9.452
  416    QH1  ARG  47           QH1      ARG  47  -4.838  12.620  11.500
  417    QH2  ARG  47           QH2      ARG  47  -7.887  12.602  10.447
  418    H    ALA  48           H        ALA  48  -2.895  13.127   4.548
  419    HA   ALA  48           HA       ALA  48  -0.986  15.178   4.516
  420   1HB   ALA  48          3HB       ALA  48  -0.421  12.910   5.192
  421   2HB   ALA  48          1HB       ALA  48   0.611  13.517   3.895
  422   3HB   ALA  48          2HB       ALA  48  -0.681  12.360   3.531
  423    MB   ALA  48           QB       ALA  48  -0.164  12.929   4.206
  424    H    GLN  49           H        GLN  49  -3.257  14.306   2.261
  425    HA   GLN  49           HA       GLN  49  -3.752  15.006   0.171
  426   1HB   GLN  49          2HB       GLN  49  -1.155  16.533   0.385
  427   2HB   GLN  49          1HB       GLN  49  -2.347  16.786  -0.916
  428   1HG   GLN  49          2HG       GLN  49  -3.566  18.050   0.458
  429   2HG   GLN  49          1HG       GLN  49  -3.310  16.803   1.721
  430   1HE2  GLN  49          1HE2      GLN  49  -1.842  17.068   3.233
  431   2HE2  GLN  49          2HE2      GLN  49  -0.739  18.369   3.406
  432    QB   GLN  49           QB       GLN  49  -1.751  16.659  -0.266
  433    QG   GLN  49           QG       GLN  49  -3.438  17.427   1.089
  434    QE   GLN  49           QE2      GLN  49  -1.291  17.719   3.320
  435    H    LEU  50           H        LEU  50  -2.127  12.809   0.940
  436    HA   LEU  50           HA       LEU  50  -0.512  12.042  -1.321
  437   1HB   LEU  50          2HB       LEU  50  -1.111  11.033   1.378
  438   2HB   LEU  50          1HB       LEU  50  -0.703   9.838   0.167
  439    HG   LEU  50           HG       LEU  50   1.378  10.852  -0.206
  440   1HD1  LEU  50          1HD1      LEU  50   0.847  13.179   0.138
  441   2HD1  LEU  50          3HD1      LEU  50   0.629  12.897   1.862
  442   3HD1  LEU  50          2HD1      LEU  50   2.229  12.724   1.130
  443   1HD2  LEU  50          2HD2      LEU  50   1.216   9.218   1.593
  444   2HD2  LEU  50          1HD2      LEU  50   2.471  10.415   1.939
  445   3HD2  LEU  50          3HD2      LEU  50   0.910  10.518   2.742
  446    MD1  LEU  50           QD1      LEU  50   1.235  12.933   1.044
  447    MD2  LEU  50           QD2      LEU  50   1.532  10.050   2.091
  448    QB   LEU  50           QB       LEU  50  -0.907  10.436   0.772
  449    QD   LEU  50           QQD      LEU  50   1.384  11.492   1.567
  450    H    THR  51           H        THR  51  -1.144  10.744  -2.918
  451    HA   THR  51           HA       THR  51  -3.767   9.532  -2.732
  452    HB   THR  51           HB       THR  51  -3.903   9.933  -5.192
  453    HG1  THR  51          1HG       THR  51  -1.977  10.313  -6.037
  454   1HG2  THR  51          3HG2      THR  51  -4.739  11.420  -3.480
  455   2HG2  THR  51          2HG2      THR  51  -3.193  12.309  -3.543
  456   3HG2  THR  51          1HG2      THR  51  -4.267  12.304  -4.958
  457    MG   THR  51           QG2      THR  51  -4.067  12.011  -3.994
  458    H    GLY  52           H        GLY  52  -3.885   7.492  -4.235
  459   1HA   GLY  52          1HA       GLY  52  -2.316   5.737  -2.837
  460   2HA   GLY  52          2HA       GLY  52  -1.460   6.032  -4.338
  461    QA   GLY  52           QA       GLY  52  -1.888   5.885  -3.587
  462    H    ALA  53           H        ALA  53  -1.880   3.711  -4.167
  463    HA   ALA  53           HA       ALA  53  -4.363   2.558  -4.464
  464   1HB   ALA  53          3HB       ALA  53  -4.427   3.617  -6.700
  465   2HB   ALA  53          1HB       ALA  53  -4.335   1.858  -6.836
  466   3HB   ALA  53          2HB       ALA  53  -2.895   2.843  -7.098
  467    MB   ALA  53           QB       ALA  53  -3.886   2.773  -6.878
  468    H    LEU  54           H        LEU  54  -4.106   0.216  -4.998
  469    HA   LEU  54           HA       LEU  54  -1.414  -0.716  -4.971
  470   1HB   LEU  54          2HB       LEU  54  -1.492  -1.919  -2.858
  471   2HB   LEU  54          1HB       LEU  54  -1.671  -0.189  -2.650
  472    HG   LEU  54           HG       LEU  54  -4.157  -0.612  -2.348
  473   1HD1  LEU  54          3HD1      LEU  54  -3.220  -3.454  -1.993
  474   2HD1  LEU  54          2HD1      LEU  54  -4.819  -2.843  -1.574
  475   3HD1  LEU  54          1HD1      LEU  54  -4.293  -2.858  -3.257
  476   1HD2  LEU  54          2HD2      LEU  54  -2.684  -0.049  -0.516
  477   2HD2  LEU  54          1HD2      LEU  54  -3.879  -1.235  -0.006
  478   3HD2  LEU  54          3HD2      LEU  54  -2.227  -1.743  -0.342
  479    MD1  LEU  54           QD1      LEU  54  -4.111  -3.051  -2.275
  480    MD2  LEU  54           QD2      LEU  54  -2.930  -1.009  -0.288
  481    QB   LEU  54           QB       LEU  54  -1.582  -1.054  -2.754
  482    QD   LEU  54           QQD      LEU  54  -3.520  -2.030  -1.281
  483    H    PHE  55           H        PHE  55  -1.214  -2.942  -5.142
  484    HA   PHE  55           HA       PHE  55  -3.628  -4.239  -6.189
  485   1HB   PHE  55          2HB       PHE  55  -0.804  -4.813  -7.146
  486   2HB   PHE  55          1HB       PHE  55  -2.306  -5.325  -7.881
  487    HD1  PHE  55          1HD       PHE  55   0.184  -3.868  -9.066
  488    HD2  PHE  55          2HD       PHE  55  -3.645  -2.501  -7.792
  489    HE1  PHE  55          1HE       PHE  55   0.360  -1.954 -10.597
  490    HE2  PHE  55          2HE       PHE  55  -3.457  -0.570  -9.312
  491    HZ   PHE  55           HZ       PHE  55  -1.469  -0.307 -10.723
  492    QB   PHE  55           QB       PHE  55  -1.555  -5.069  -7.514
  493    QD   PHE  55           QD       PHE  55  -1.730  -3.184  -8.429
  494    QE   PHE  55           QE       PHE  55  -1.548  -1.262  -9.954
  495    QR   PHE  55           QR       PHE  55  -1.605  -1.840  -9.498
  496    H    TYR  56           H        TYR  56  -4.111  -5.760  -4.765
  497    HA   TYR  56           HA       TYR  56  -1.933  -7.256  -3.492
  498   1HB   TYR  56          2HB       TYR  56  -3.059  -5.761  -1.836
  499   2HB   TYR  56          1HB       TYR  56  -4.608  -6.455  -2.223
  500    HD1  TYR  56          1HD       TYR  56  -4.092  -9.396  -2.072
  501    HD2  TYR  56          2HD       TYR  56  -2.607  -6.254   0.366
  502    HE1  TYR  56          1HE       TYR  56  -3.801 -10.984  -0.223
  503    HE2  TYR  56          2HE       TYR  56  -2.299  -7.843   2.222
  504    HH   TYR  56           HH       TYR  56  -3.206 -10.031   2.960
  505    QB   TYR  56           QB       TYR  56  -3.833  -6.108  -2.030
  506    QD   TYR  56           QD       TYR  56  -3.350  -7.825  -0.853
  507    QE   TYR  56           QE       TYR  56  -3.050  -9.413   0.999
  508    QR   TYR  56           QR       TYR  56  -3.200  -8.619   0.073
  509    H    SER  57           H        SER  57  -2.149  -9.432  -4.237
  510    HA   SER  57           HA       SER  57  -4.700 -10.651  -4.317
  511   1HB   SER  57          2HB       SER  57  -3.109 -10.261  -6.888
  512   2HB   SER  57          1HB       SER  57  -4.474 -11.363  -6.712
  513    HG   SER  57           HG       SER  57  -4.934  -8.779  -5.893
  514    QB   SER  57           QB       SER  57  -3.791 -10.812  -6.800
  515    H    GLN  58           H        GLN  58  -4.424 -12.849  -4.108
  516    HA   GLN  58           HA       GLN  58  -3.461 -14.840  -3.807
  517   1HB   GLN  58          2HB       GLN  58  -1.366 -13.586  -5.503
  518   2HB   GLN  58          1HB       GLN  58  -1.196 -15.225  -4.938
  519   1HG   GLN  58          2HG       GLN  58  -3.460 -14.136  -6.629
  520   2HG   GLN  58          1HG       GLN  58  -2.098 -15.084  -7.217
  521   1HE2  GLN  58          1HE2      GLN  58  -3.489 -16.644  -8.053
  522   2HE2  GLN  58          2HE2      GLN  58  -4.320 -17.781  -7.050
  523    QB   GLN  58           QB       GLN  58  -1.281 -14.406  -5.221
  524    QG   GLN  58           QG       GLN  58  -2.779 -14.610  -6.923
  525    QE   GLN  58           QE2      GLN  58  -3.904 -17.213  -7.551
  526    H    GLY  59           H        GLY  59  -2.323 -12.186  -2.339
  527   1HA   GLY  59          1HA       GLY  59  -0.518 -13.756  -0.612
  528   2HA   GLY  59          2HA       GLY  59  -1.531 -12.432  -0.051
  529    QA   GLY  59           QA       GLY  59  -1.025 -13.094  -0.332
  530    H    VAL  60           H        VAL  60  -0.237 -11.708  -3.079
  531    HA   VAL  60           HA       VAL  60   2.161 -10.586  -1.880
  532    HB   VAL  60           HB       VAL  60   3.022 -10.141  -4.089
  533   1HG1  VAL  60          1HG1      VAL  60   1.847 -12.904  -3.953
  534   2HG1  VAL  60          3HG1      VAL  60   3.140 -12.405  -5.039
  535   3HG1  VAL  60          2HG1      VAL  60   3.391 -12.367  -3.292
  536   1HG2  VAL  60          3HG2      VAL  60   0.376 -11.113  -5.193
  537   2HG2  VAL  60          2HG2      VAL  60   0.986  -9.459  -5.251
  538   3HG2  VAL  60          1HG2      VAL  60   1.806 -10.728  -6.158
  539    MG1  VAL  60           QG1      VAL  60   2.793 -12.559  -4.095
  540    MG2  VAL  60           QG2      VAL  60   1.056 -10.434  -5.534
  541    QG   VAL  60           QQG      VAL  60   1.924 -11.496  -4.814
  542    H    PHE  61           H        PHE  61   2.576  -8.492  -1.680
  543    HA   PHE  61           HA       PHE  61   0.364  -6.588  -2.082
  544   1HB   PHE  61          2HB       PHE  61   2.524  -6.982  -0.239
  545   2HB   PHE  61          1HB       PHE  61   2.535  -5.365  -0.902
  546    HD1  PHE  61          1HD       PHE  61   1.959  -6.829   1.883
  547    HD2  PHE  61          2HD       PHE  61  -0.335  -4.745  -1.023
  548    HE1  PHE  61          1HE       PHE  61   0.438  -6.122   3.636
  549    HE2  PHE  61          2HE       PHE  61  -1.885  -4.014   0.748
  550    HZ   PHE  61           HZ       PHE  61  -1.461  -4.697   3.090
  551    QB   PHE  61           QB       PHE  61   2.529  -6.174  -0.570
  552    QD   PHE  61           QD       PHE  61   0.812  -5.787   0.430
  553    QE   PHE  61           QE       PHE  61  -0.723  -5.068   2.192
  554    QR   PHE  61           QR       PHE  61  -0.257  -5.281   1.667
  555    H    PHE  62           H        PHE  62   0.554  -5.231  -3.849
  556    HA   PHE  62           HA       PHE  62   3.193  -4.077  -4.213
  557   1HB   PHE  62          2HB       PHE  62   2.487  -5.288  -6.305
  558   2HB   PHE  62          1HB       PHE  62   1.046  -4.269  -6.358
  559    HD1  PHE  62          1HD       PHE  62   4.663  -4.402  -6.877
  560    HD2  PHE  62          2HD       PHE  62   1.203  -1.917  -7.021
  561    HE1  PHE  62          1HE       PHE  62   5.922  -2.712  -8.158
  562    HE2  PHE  62          2HE       PHE  62   2.458  -0.234  -8.301
  563    HZ   PHE  62           HZ       PHE  62   4.814  -0.627  -8.868
  564    QB   PHE  62           QB       PHE  62   1.766  -4.779  -6.331
  565    QD   PHE  62           QD       PHE  62   2.933  -3.159  -6.949
  566    QE   PHE  62           QE       PHE  62   4.190  -1.473  -8.229
  567    QR   PHE  62           QR       PHE  62   3.812  -1.978  -7.845
  568    H    GLN  63           H        GLN  63   3.153  -1.988  -3.544
  569    HA   GLN  63           HA       GLN  63   0.532  -0.643  -3.395
  570   1HB   GLN  63          2HB       GLN  63   1.299  -1.984  -1.286
  571   2HB   GLN  63          1HB       GLN  63   2.460  -0.698  -1.085
  572   1HG   GLN  63          2HG       GLN  63  -0.536  -0.363  -1.111
  573   2HG   GLN  63          1HG       GLN  63   0.454  -0.519   0.310
  574   1HE2  GLN  63          1HE2      GLN  63   2.568   1.286  -0.760
  575   2HE2  GLN  63          2HE2      GLN  63   1.853   2.864  -0.699
  576    QB   GLN  63           QB       GLN  63   1.880  -1.341  -1.185
  577    QG   GLN  63           QG       GLN  63  -0.041  -0.441  -0.400
  578    QE   GLN  63           QE2      GLN  63   2.211   2.075  -0.729
  579    H    TRP  64           H        TRP  64   0.807   1.502  -4.071
  580    HA   TRP  64           HA       TRP  64   3.375   2.597  -3.472
  581   1HB   TRP  64          2HB       TRP  64   3.898   3.361  -5.594
  582   2HB   TRP  64          1HB       TRP  64   3.310   1.709  -5.895
  583    HD1  TRP  64           HD       TRP  64   3.301   5.098  -7.052
  584    HE1  TRP  64          1HE       TRP  64   1.514   5.535  -8.746
  585    HE3  TRP  64          3HE       TRP  64   0.420   0.946  -6.253
  586    HZ2  TRP  64          2HZ       TRP  64  -0.857   4.318  -9.682
  587    HZ3  TRP  64          3HZ       TRP  64  -1.666   0.721  -7.596
  588    HH2  TRP  64           HH       TRP  64  -2.240   2.344  -9.278
  589    QB   TRP  64           QB       TRP  64   3.604   2.535  -5.744
  590    H    LEU  65           H        LEU  65   3.326   5.017  -3.669
  591    HA   LEU  65           HA       LEU  65   0.650   6.123  -3.489
  592   1HB   LEU  65          2HB       LEU  65   1.051   7.235  -1.393
  593   2HB   LEU  65          1HB       LEU  65   1.202   5.509  -1.183
  594    HG   LEU  65           HG       LEU  65   3.566   7.270  -1.569
  595   1HD1  LEU  65          2HD1      LEU  65   2.203   6.480   1.019
  596   2HD1  LEU  65          1HD1      LEU  65   3.783   7.257   0.922
  597   3HD1  LEU  65          3HD1      LEU  65   2.351   8.110   0.354
  598   1HD2  LEU  65          3HD2      LEU  65   3.989   4.879  -1.834
  599   2HD2  LEU  65          2HD2      LEU  65   4.765   5.466  -0.367
  600   3HD2  LEU  65          1HD2      LEU  65   3.260   4.554  -0.262
  601    MD1  LEU  65           QD1      LEU  65   2.779   7.282   0.765
  602    MD2  LEU  65           QD2      LEU  65   4.005   4.966  -0.821
  603    QB   LEU  65           QB       LEU  65   1.126   6.372  -1.288
  604    QD   LEU  65           QQD      LEU  65   3.392   6.124  -0.028
  605    H    GLU  66           H        GLU  66   0.533   8.316  -3.728
  606    HA   GLU  66           HA       GLU  66   2.855   9.615  -4.999
  607   1HB   GLU  66          2HB       GLU  66  -0.064  10.362  -5.135
  608   2HB   GLU  66          1HB       GLU  66   1.240  10.963  -6.120
  609   1HG   GLU  66          2HG       GLU  66   1.317   8.866  -7.337
  610   2HG   GLU  66          1HG       GLU  66   0.051   8.209  -6.288
  611    QB   GLU  66           QB       GLU  66   0.588  10.662  -5.627
  612    QG   GLU  66           QG       GLU  66   0.684   8.538  -6.812
  613    H    GLY  67           H        GLY  67   3.640  11.239  -3.642
  614   1HA   GLY  67          1HA       GLY  67   2.587  11.949  -1.213
  615   2HA   GLY  67          2HA       GLY  67   1.773  12.971  -2.401
  616    QA   GLY  67           QA       GLY  67   2.180  12.460  -1.807
  617    H    HIS  68           H        HIS  68   3.060  14.557  -0.852
  618    HA   HIS  68           HA       HIS  68   5.402  15.468  -2.193
  619   1HB   HIS  68          2HB       HIS  68   4.106  17.127  -0.986
  620   2HB   HIS  68          1HB       HIS  68   4.170  16.223   0.492
  621    HD1  HIS  68          1HD       HIS  68   6.110  16.639   2.085
  622    HD2  HIS  68          2HD       HIS  68   6.255  18.412  -1.583
  623    HE1  HIS  68          1HE       HIS  68   8.165  18.027   2.217
  624    HE2  HIS  68          2HE       HIS  68   8.439  18.915  -0.138
  625    QB   HIS  68           QB       HIS  68   4.138  16.675  -0.247
  626    HA   PRO  69           HA       PRO  69   8.462  12.478  -1.113
  627   1HB   PRO  69          2HB       PRO  69  10.387  14.387  -0.188
  628   2HB   PRO  69          1HB       PRO  69  10.337  13.535  -1.730
  629   1HG   PRO  69          2HG       PRO  69   9.343  16.224  -1.017
  630   2HG   PRO  69          1HG       PRO  69   9.905  15.604  -2.587
  631   1HD   PRO  69          2HD       PRO  69   7.342  16.085  -2.159
  632   2HD   PRO  69          1HD       PRO  69   7.823  14.633  -3.062
  633    QB   PRO  69           QB       PRO  69  10.362  13.961  -0.959
  634    QG   PRO  69           QG       PRO  69   9.624  15.914  -1.802
  635    QD   PRO  69           QD       PRO  69   7.582  15.359  -2.610
  636    H    ALA  70           H        ALA  70   8.249  15.007   1.353
  637    HA   ALA  70           HA       ALA  70   9.397  13.227   3.258
  638   1HB   ALA  70          3HB       ALA  70   9.711  15.704   3.375
  639   2HB   ALA  70          1HB       ALA  70   9.202  14.903   4.880
  640   3HB   ALA  70          2HB       ALA  70   8.017  15.776   3.890
  641    MB   ALA  70           QB       ALA  70   8.977  15.461   4.048
  642    H    ALA  71           H        ALA  71   6.205  13.918   2.409
  643    HA   ALA  71           HA       ALA  71   5.037  12.828   4.736
  644   1HB   ALA  71          2HB       ALA  71   4.116  12.858   1.947
  645   2HB   ALA  71          1HB       ALA  71   3.033  12.688   3.333
  646   3HB   ALA  71          3HB       ALA  71   3.897  14.235   3.052
  647    MB   ALA  71           QB       ALA  71   3.682  13.260   2.777
  648    H    VAL  72           H        VAL  72   6.082  11.772   1.630
  649    HA   VAL  72           HA       VAL  72   5.188   9.104   1.674
  650    HB   VAL  72           HB       VAL  72   7.737   9.830   0.278
  651   1HG1  VAL  72          3HG1      VAL  72   6.810   7.627   0.046
  652   2HG1  VAL  72          2HG1      VAL  72   5.303   8.391  -0.515
  653   3HG1  VAL  72          1HG1      VAL  72   6.785   8.530  -1.502
  654   1HG2  VAL  72          2HG2      VAL  72   5.046  10.819  -0.619
  655   2HG2  VAL  72          1HG2      VAL  72   6.465  11.773  -0.097
  656   3HG2  VAL  72          3HG2      VAL  72   6.533  10.824  -1.588
  657    MG1  VAL  72           QG1      VAL  72   6.299   8.183  -0.657
  658    MG2  VAL  72           QG2      VAL  72   6.015  11.139  -0.768
  659    QG   VAL  72           QQG      VAL  72   6.157   9.661  -0.713
  660    H    ALA  73           H        ALA  73   8.160  10.742   2.590
  661    HA   ALA  73           HA       ALA  73   9.514   8.416   3.339
  662   1HB   ALA  73          3HB       ALA  73  10.022  11.203   4.204
  663   2HB   ALA  73          2HB       ALA  73  11.108   9.760   4.312
  664   3HB   ALA  73          1HB       ALA  73  10.650  10.410   2.731
  665    MB   ALA  73           QB       ALA  73  10.593  10.458   3.749
  666    H    GLU  74           H        GLU  74   7.556  10.677   5.110
  667    HA   GLU  74           HA       GLU  74   7.927   9.724   7.759
  668   1HB   GLU  74          2HB       GLU  74   6.534  11.718   7.324
  669   2HB   GLU  74          1HB       GLU  74   5.401  10.740   6.402
  670   1HG   GLU  74          2HG       GLU  74   4.894   9.470   8.470
  671   2HG   GLU  74          1HG       GLU  74   5.940  10.564   9.359
  672    QB   GLU  74           QB       GLU  74   5.967  11.229   6.863
  673    QG   GLU  74           QG       GLU  74   5.417  10.017   8.915
  674    H    VAL  75           H        VAL  75   5.754   8.580   5.215
  675    HA   VAL  75           HA       VAL  75   5.095   6.460   6.897
  676    HB   VAL  75           HB       VAL  75   3.665   7.479   4.989
  677   1HG1  VAL  75          1HG1      VAL  75   5.143   5.448   3.369
  678   2HG1  VAL  75          3HG1      VAL  75   3.634   6.226   2.903
  679   3HG1  VAL  75          2HG1      VAL  75   5.100   7.189   3.123
  680   1HG2  VAL  75          1HG2      VAL  75   3.757   4.539   5.504
  681   2HG2  VAL  75          3HG2      VAL  75   2.891   5.780   6.415
  682   3HG2  VAL  75          2HG2      VAL  75   2.407   5.401   4.755
  683    MG1  VAL  75           QG1      VAL  75   4.626   6.288   3.132
  684    MG2  VAL  75           QG2      VAL  75   3.018   5.240   5.558
  685    QG   VAL  75           QQG      VAL  75   3.822   5.764   4.345
  686    H    MET  76           H        MET  76   7.504   6.784   4.136
  687    HA   MET  76           HA       MET  76   8.338   4.202   4.029
  688   1HB   MET  76          2HB       MET  76  10.161   6.619   3.998
  689   2HB   MET  76          1HB       MET  76  10.581   5.034   3.432
  690   1HG   MET  76          2HG       MET  76   8.307   6.410   2.371
  691   2HG   MET  76          1HG       MET  76   9.894   6.893   1.704
  692   1HE   MET  76          2HE       MET  76   6.900   4.774   1.983
  693   2HE   MET  76          1HE       MET  76   7.131   3.355   0.911
  694   3HE   MET  76          3HE       MET  76   7.944   3.423   2.464
  695    QB   MET  76           QB       MET  76  10.371   5.827   3.715
  696    QG   MET  76           QG       MET  76   9.101   6.652   2.038
  697    ME   MET  76           QE       MET  76   7.325   3.851   1.786
  698    H    SER  77           H        SER  77   9.504   6.626   6.328
  699    HA   SER  77           HA       SER  77  11.378   4.911   7.550
  700   1HB   SER  77          2HB       SER  77   9.933   7.241   8.852
  701   2HB   SER  77          1HB       SER  77  11.510   6.579   9.299
  702    HG   SER  77           HG       SER  77  10.790   8.025   6.979
  703    QB   SER  77           QB       SER  77  10.722   6.910   9.075
  704    H    HIS  78           H        HIS  78   8.007   5.548   8.265
  705    HA   HIS  78           HA       HIS  78   7.876   3.889  10.586
  706   1HB   HIS  78          2HB       HIS  78   6.223   5.680   9.665
  707   2HB   HIS  78          1HB       HIS  78   5.612   4.367   8.680
  708    HD1  HIS  78          1HD       HIS  78   5.210   5.912  11.903
  709    HD2  HIS  78          2HD       HIS  78   4.665   2.132  10.318
  710    HE1  HIS  78          1HE       HIS  78   3.650   4.766  13.463
  711    HE2  HIS  78          2HE       HIS  78   2.978   2.799  12.100
  712    QB   HIS  78           QB       HIS  78   5.917   5.023   9.173
  713    H    ILE  79           H        ILE  79   7.126   3.402   7.214
  714    HA   ILE  79           HA       ILE  79   6.171   0.786   7.301
  715    HB   ILE  79           HB       ILE  79   6.840   2.816   5.314
  716   1HG1  ILE  79          2HG1      ILE  79   4.439   1.048   5.715
  717   2HG1  ILE  79          1HG1      ILE  79   4.632   2.730   6.187
  718   1HG2  ILE  79          1HG2      ILE  79   6.756  -0.001   4.477
  719   2HG2  ILE  79          3HG2      ILE  79   6.393   1.338   3.388
  720   3HG2  ILE  79          2HG2      ILE  79   7.981   1.241   4.146
  721   1HD1  ILE  79          2HD1      ILE  79   4.829   3.336   3.818
  722   2HD1  ILE  79          1HD1      ILE  79   4.526   1.664   3.371
  723   3HD1  ILE  79          3HD1      ILE  79   3.266   2.594   4.202
  724    MG   ILE  79           QG2      ILE  79   7.043   0.860   4.004
  725    MD   ILE  79           QD1      ILE  79   4.207   2.531   3.797
  726    QG   ILE  79           QG1      ILE  79   4.536   1.889   5.951
  727    H    GLN  80           H        GLN  80   9.372   1.968   6.257
  728    HA   GLN  80           HA       GLN  80  10.371  -0.546   5.704
  729   1HB   GLN  80          2HB       GLN  80  11.730   2.065   6.329
  730   2HB   GLN  80          1HB       GLN  80  12.545   0.640   5.673
  731   1HG   GLN  80          2HG       GLN  80  10.226   2.074   4.285
  732   2HG   GLN  80          1HG       GLN  80  11.847   2.175   3.820
  733   1HE2  GLN  80          1HE2      GLN  80   9.253   0.074   4.040
  734   2HE2  GLN  80          2HE2      GLN  80   9.970  -1.090   2.972
  735    QB   GLN  80           QB       GLN  80  12.137   1.353   6.001
  736    QG   GLN  80           QG       GLN  80  11.036   2.124   4.053
  737    QE   GLN  80           QE2      GLN  80   9.612  -0.508   3.506
  738    H    ARG  81           H        ARG  81   9.713   0.809   8.660
  739    HA   ARG  81           HA       ARG  81  11.310  -1.223  10.071
  740   1HB   ARG  81          2HB       ARG  81   9.993   1.337  10.994
  741   2HB   ARG  81          1HB       ARG  81  10.694   0.142  12.067
  742   1HG   ARG  81          2HG       ARG  81  12.837   0.491  11.203
  743   2HG   ARG  81          1HG       ARG  81  12.237   1.611   9.969
  744   1HD   ARG  81          2HD       ARG  81  13.229   2.741  11.964
  745   2HD   ARG  81          1HD       ARG  81  11.544   3.171  11.672
  746    HE   ARG  81           HE       ARG  81  11.097   1.336  13.395
  747   1HH1  ARG  81          1HH1      ARG  81  13.931   3.461  13.526
  748   2HH1  ARG  81          2HH1      ARG  81  14.037   3.448  15.214
  749   1HH2  ARG  81          1HH2      ARG  81  11.205   1.356  15.722
  750   2HH2  ARG  81          2HH2      ARG  81  12.440   2.241  16.486
  751    QB   ARG  81           QB       ARG  81  10.343   0.740  11.530
  752    QG   ARG  81           QG       ARG  81  12.537   1.051  10.586
  753    QD   ARG  81           QD       ARG  81  12.387   2.956  11.818
  754    QH1  ARG  81           QH1      ARG  81  13.984   3.454  14.370
  755    QH2  ARG  81           QH2      ARG  81  11.822   1.799  16.104
  756    H    ASP  82           H        ASP  82   8.705  -1.608   8.531
  757    HA   ASP  82           HA       ASP  82   6.609  -1.625  10.495
  758   1HB   ASP  82          2HB       ASP  82   6.676  -1.325   7.795
  759   2HB   ASP  82          1HB       ASP  82   6.222  -2.941   7.953
  760    QB   ASP  82           QB       ASP  82   6.449  -2.133   7.874
  761    H    ARG  83           H        ARG  83   5.181  -3.649   9.360
  762    HA   ARG  83           HA       ARG  83   6.053  -6.233  10.272
  763   1HB   ARG  83          2HB       ARG  83   4.420  -6.068  12.240
  764   2HB   ARG  83          1HB       ARG  83   5.945  -5.190  12.410
  765   1HG   ARG  83          2HG       ARG  83   4.693  -3.184  11.439
  766   2HG   ARG  83          1HG       ARG  83   3.229  -4.098  11.765
  767   1HD   ARG  83          2HD       ARG  83   3.637  -4.090  14.093
  768   2HD   ARG  83          1HD       ARG  83   5.278  -3.472  13.861
  769    HE   ARG  83           HE       ARG  83   2.997  -1.842  12.970
  770   1HH1  ARG  83          1HH1      ARG  83   5.727  -2.268  15.218
  771   2HH1  ARG  83          2HH1      ARG  83   5.724  -0.642  15.707
  772   1HH2  ARG  83          1HH2      ARG  83   3.019   0.313  13.624
  773   2HH2  ARG  83          2HH2      ARG  83   4.123   0.895  14.796
  774    QB   ARG  83           QB       ARG  83   5.183  -5.629  12.325
  775    QG   ARG  83           QG       ARG  83   3.961  -3.641  11.602
  776    QD   ARG  83           QD       ARG  83   4.458  -3.781  13.977
  777    QH1  ARG  83           QH1      ARG  83   5.725  -1.455  15.463
  778    QH2  ARG  83           QH2      ARG  83   3.571   0.604  14.210
  779    H    ARG  84           H        ARG  84   3.401  -3.881   9.432
  780    HA   ARG  84           HA       ARG  84   1.259  -5.745   9.140
  781   1HB   ARG  84          2HB       ARG  84   1.541  -2.949   8.052
  782   2HB   ARG  84          1HB       ARG  84   0.062  -3.837   8.410
  783   1HG   ARG  84          2HG       ARG  84   2.045  -3.049  10.529
  784   2HG   ARG  84          1HG       ARG  84   0.728  -2.019  10.018
  785   1HD   ARG  84          2HD       ARG  84   0.362  -4.804  11.060
  786   2HD   ARG  84          1HD       ARG  84   0.259  -3.361  12.067
  787    HE   ARG  84           HE       ARG  84  -1.580  -4.255  10.005
  788   1HH1  ARG  84          1HH1      ARG  84  -0.803  -1.890  12.517
  789   2HH1  ARG  84          2HH1      ARG  84  -2.308  -1.131  12.507
  790   1HH2  ARG  84          1HH2      ARG  84  -3.718  -3.207  10.003
  791   2HH2  ARG  84          2HH2      ARG  84  -4.018  -1.898  11.073
  792    QB   ARG  84           QB       ARG  84   0.802  -3.393   8.231
  793    QG   ARG  84           QG       ARG  84   1.387  -2.534  10.274
  794    QD   ARG  84           QD       ARG  84   0.311  -4.083  11.564
  795    QH1  ARG  84           QH1      ARG  84  -1.555  -1.510  12.512
  796    QH2  ARG  84           QH2      ARG  84  -3.868  -2.552  10.538
  797    H    HIS  85           H        HIS  85   3.780  -5.913   7.453
  798    HA   HIS  85           HA       HIS  85   2.804  -6.877   5.124
  799   1HB   HIS  85          2HB       HIS  85   4.036  -5.244   3.518
  800   2HB   HIS  85          1HB       HIS  85   2.442  -4.787   4.046
  801    HD1  HIS  85          1HD       HIS  85   3.424  -2.327   3.206
  802    HD2  HIS  85          2HD       HIS  85   5.078  -3.810   6.714
  803    HE1  HIS  85          1HE       HIS  85   4.683  -0.487   4.363
  804    HE2  HIS  85          2HE       HIS  85   4.895  -1.324   6.571
  805    QB   HIS  85           QB       HIS  85   3.239  -5.015   3.782
  806    H    SER  86           H        SER  86   4.214  -8.120   4.242
  807    HA   SER  86           HA       SER  86   5.817  -9.261   6.043
  808   1HB   SER  86          2HB       SER  86   4.656 -10.048   3.961
  809   2HB   SER  86          1HB       SER  86   6.138  -9.701   3.149
  810    HG   SER  86           HG       SER  86   6.258 -11.824   3.791
  811    QB   SER  86           QB       SER  86   5.397  -9.875   3.555
  812    H    ASN  87           H        ASN  87   6.880  -7.266   3.561
  813    HA   ASN  87           HA       ASN  87   9.545  -7.281   4.757
  814   1HB   ASN  87          2HB       ASN  87   9.326  -7.553   1.760
  815   2HB   ASN  87          1HB       ASN  87  10.814  -7.510   2.669
  816   1HD2  ASN  87          1HD2      ASN  87   9.862  -9.390   0.762
  817   2HD2  ASN  87          2HD2      ASN  87   9.832 -10.936   1.528
  818    QB   ASN  87           QB       ASN  87  10.070  -7.532   2.215
  819    QD   ASN  87           QD2      ASN  87   9.847 -10.163   1.145
  820    H    VAL  88           H        VAL  88   7.432  -5.735   2.886
  821    HA   VAL  88           HA       VAL  88   7.533  -4.115   1.470
  822    HB   VAL  88           HB       VAL  88   6.431  -3.295   3.329
  823   1HG1  VAL  88          2HG1      VAL  88   8.100  -3.548   4.893
  824   2HG1  VAL  88          1HG1      VAL  88   8.913  -2.030   4.315
  825   3HG1  VAL  88          3HG1      VAL  88   7.218  -1.960   4.892
  826   1HG2  VAL  88          3HG2      VAL  88   6.919  -1.821   1.344
  827   2HG2  VAL  88          2HG2      VAL  88   6.461  -0.970   2.820
  828   3HG2  VAL  88          1HG2      VAL  88   8.157  -1.059   2.332
  829    MG1  VAL  88           QG1      VAL  88   8.077  -2.513   4.700
  830    MG2  VAL  88           QG2      VAL  88   7.179  -1.283   2.165
  831    QG   VAL  88           QQG      VAL  88   7.628  -1.898   3.433
  832    H    GLU  89           H        GLU  89   8.845  -4.440   0.097
  833    HA   GLU  89           HA       GLU  89  11.404  -3.035   0.284
  834   1HB   GLU  89          2HB       GLU  89  10.429  -5.077  -1.691
  835   2HB   GLU  89          1HB       GLU  89  12.076  -4.448  -1.564
  836   1HG   GLU  89          2HG       GLU  89  12.551  -5.584   0.309
  837   2HG   GLU  89          1HG       GLU  89  10.850  -5.491   0.791
  838    QB   GLU  89           QB       GLU  89  11.253  -4.763  -1.628
  839    QG   GLU  89           QG       GLU  89  11.700  -5.537   0.550
  840    H    ILE  90           H        ILE  90  10.657  -1.059  -0.049
  841    HA   ILE  90           HA       ILE  90   9.092   0.128  -2.008
  842    HB   ILE  90           HB       ILE  90  11.794   1.260  -1.466
  843   1HG1  ILE  90          2HG1      ILE  90  11.138   0.513   0.716
  844   2HG1  ILE  90          1HG1      ILE  90  10.943   2.257   0.646
  845   1HG2  ILE  90          3HG2      ILE  90  10.176   2.577  -2.893
  846   2HG2  ILE  90          2HG2      ILE  90   9.055   2.537  -1.503
  847   3HG2  ILE  90          1HG2      ILE  90  10.538   3.408  -1.368
  848   1HD1  ILE  90          2HD1      ILE  90   8.570   1.965   0.240
  849   2HD1  ILE  90          1HD1      ILE  90   8.773   0.219   0.372
  850   3HD1  ILE  90          3HD1      ILE  90   9.076   1.250   1.783
  851    MG   ILE  90           QG2      ILE  90   9.923   2.841  -1.921
  852    MD   ILE  90           QD1      ILE  90   8.806   1.145   0.799
  853    QG   ILE  90           QG1      ILE  90  11.040   1.385   0.681
  854    H    LEU  91           H        LEU  91  12.390  -0.146  -2.389
  855    HA   LEU  91           HA       LEU  91  13.762  -0.810  -4.042
  856   1HB   LEU  91          2HB       LEU  91  11.306  -2.121  -5.185
  857   2HB   LEU  91          1HB       LEU  91  12.924  -2.359  -5.811
  858    HG   LEU  91           HG       LEU  91  11.948  -3.200  -3.042
  859   1HD1  LEU  91          2HD1      LEU  91  11.066  -4.545  -4.868
  860   2HD1  LEU  91          1HD1      LEU  91  12.701  -4.791  -5.481
  861   3HD1  LEU  91          3HD1      LEU  91  12.244  -5.442  -3.909
  862   1HD2  LEU  91          1HD2      LEU  91  14.624  -3.585  -4.390
  863   2HD2  LEU  91          3HD2      LEU  91  14.315  -2.544  -3.001
  864   3HD2  LEU  91          2HD2      LEU  91  14.123  -4.288  -2.857
  865    MD1  LEU  91           QD1      LEU  91  12.004  -4.926  -4.752
  866    MD2  LEU  91           QD2      LEU  91  14.354  -3.472  -3.416
  867    QB   LEU  91           QB       LEU  91  12.115  -2.240  -5.498
  868    QD   LEU  91           QQD      LEU  91  13.179  -4.199  -4.084
  869    H    ALA  92           H        ALA  92  10.910   0.921  -4.900
  870    HA   ALA  92           HA       ALA  92  12.381   2.276  -7.066
  871   1HB   ALA  92          1HB       ALA  92  10.813   0.774  -8.125
  872   2HB   ALA  92          2HB       ALA  92  10.261   2.459  -8.293
  873   3HB   ALA  92          3HB       ALA  92   9.523   1.403  -7.093
  874    MB   ALA  92           QB       ALA  92  10.199   1.545  -7.837
  875    H    GLU  93           H        GLU  93  12.434   4.379  -6.778
  876    HA   GLU  93           HA       GLU  93  10.342   5.732  -5.247
  877   1HB   GLU  93          2HB       GLU  93  13.333   6.256  -4.937
  878   2HB   GLU  93          1HB       GLU  93  11.996   6.942  -4.025
  879   1HG   GLU  93          2HG       GLU  93  11.602   5.085  -2.832
  880   2HG   GLU  93          1HG       GLU  93  12.476   4.029  -3.954
  881    QB   GLU  93           QB       GLU  93  12.665   6.599  -4.481
  882    QG   GLU  93           QG       GLU  93  12.039   4.557  -3.393
  883    H    GLU  94           H        GLU  94   9.525   7.082  -6.788
  884    HA   GLU  94           HA       GLU  94  11.439   8.419  -8.577
  885   1HB   GLU  94          2HB       GLU  94   9.669   8.249 -10.360
  886   2HB   GLU  94          1HB       GLU  94  10.447   6.739  -9.922
  887   1HG   GLU  94          2HG       GLU  94   8.503   6.183  -8.503
  888   2HG   GLU  94          1HG       GLU  94   7.732   7.680  -9.024
  889    QB   GLU  94           QB       GLU  94  10.058   7.494 -10.141
  890    QG   GLU  94           QG       GLU  94   8.117   6.931  -8.764
  891    H    SER  95           H        SER  95  11.023  10.563  -9.119
  892    HA   SER  95           HA       SER  95   9.201  12.000  -7.413
  893   1HB   SER  95          2HB       SER  95  10.994  12.931  -9.665
  894   2HB   SER  95          1HB       SER  95  10.105  13.964  -8.540
  895    HG   SER  95           HG       SER  95  12.506  13.144  -8.179
  896    QB   SER  95           QB       SER  95  10.550  13.448  -9.103
  897    H    ILE  96           H        ILE  96   7.262  12.712  -7.950
  898    HA   ILE  96           HA       ILE  96   6.391  12.217 -10.743
  899    HB   ILE  96           HB       ILE  96   4.212  11.770  -9.976
  900   1HG1  ILE  96          2HG1      ILE  96   5.351  11.230  -7.267
  901   2HG1  ILE  96          1HG1      ILE  96   4.733  12.822  -7.663
  902   1HG2  ILE  96          2HG2      ILE  96   5.709   9.985 -10.646
  903   2HG2  ILE  96          1HG2      ILE  96   6.369   9.881  -9.017
  904   3HG2  ILE  96          3HG2      ILE  96   4.694   9.408  -9.321
  905   1HD1  ILE  96          1HD1      ILE  96   3.156  10.287  -7.804
  906   2HD1  ILE  96          3HD1      ILE  96   3.220  11.422  -6.454
  907   3HD1  ILE  96          2HD1      ILE  96   2.604  11.978  -7.990
  908    MG   ILE  96           QG2      ILE  96   5.591   9.758  -9.661
  909    MD   ILE  96           QD1      ILE  96   2.993  11.229  -7.416
  910    QG   ILE  96           QG1      ILE  96   5.042  12.026  -7.465
  911    H    ALA  97           H        ALA  97   4.269  13.177 -11.256
  912    HA   ALA  97           HA       ALA  97   4.263  15.941 -10.376
  913   1HB   ALA  97          3HB       ALA  97   4.329  15.341 -12.839
  914   2HB   ALA  97          1HB       ALA  97   3.034  16.460 -12.301
  915   3HB   ALA  97          2HB       ALA  97   2.659  14.774 -12.535
  916    MB   ALA  97           QB       ALA  97   3.341  15.525 -12.558
  917    H    LYS  98           H        LYS  98   2.999  13.281  -9.795
  918    HA   LYS  98           HA       LYS  98   1.094  12.303  -8.990
  919   1HB   LYS  98          2HB       LYS  98   2.094  13.957  -7.443
  920   2HB   LYS  98          1HB       LYS  98   0.754  14.981  -7.882
  921   1HG   LYS  98          2HG       LYS  98   0.004  12.305  -7.074
  922   2HG   LYS  98          1HG       LYS  98   0.995  13.205  -5.947
  923   1HD   LYS  98          2HD       LYS  98  -0.988  14.887  -6.945
  924   2HD   LYS  98          1HD       LYS  98  -1.732  13.436  -6.187
  925   1HE   LYS  98          2HE       LYS  98  -0.170  13.722  -4.438
  926   2HE   LYS  98          1HE       LYS  98   0.317  15.270  -5.174
  927   1HZ   LYS  98          3HZ       LYS  98  -2.491  14.693  -4.401
  928   2HZ   LYS  98          2HZ       LYS  98  -1.504  15.431  -3.285
  929   3HZ   LYS  98          1HZ       LYS  98  -1.869  16.194  -4.777
  930    QB   LYS  98           QB       LYS  98   1.424  14.469  -7.662
  931    QD   LYS  98           QD       LYS  98  -1.360  14.162  -6.566
  932    QG   LYS  98           QG       LYS  98   0.500  12.755  -6.511
  933    QE   LYS  98           QE       LYS  98   0.073  14.496  -4.806
  934    QZ   LYS  98           QZ       LYS  98  -1.955  15.439  -4.154
  935    H    ARG  99           H        ARG  99  -1.286  13.207  -8.398
  936    HA   ARG  99           HA       ARG  99  -3.377  13.795  -9.146
  937   1HB   ARG  99          2HB       ARG  99  -1.914  14.969 -11.538
  938   2HB   ARG  99          1HB       ARG  99  -3.648  15.154 -11.273
  939   1HG   ARG  99          2HG       ARG  99  -3.197  16.493  -9.300
  940   2HG   ARG  99          1HG       ARG  99  -1.472  16.164  -9.446
  941   1HD   ARG  99          2HD       ARG  99  -1.547  17.269 -11.699
  942   2HD   ARG  99          1HD       ARG  99  -3.202  17.755 -11.335
  943    HE   ARG  99           HE       ARG  99  -2.258  18.944  -9.377
  944   1HH1  ARG  99          1HH1      ARG  99  -0.247  18.396 -12.251
  945   2HH1  ARG  99          2HH1      ARG  99   0.871  19.624 -11.903
  946   1HH2  ARG  99          1HH2      ARG  99  -0.753  20.640  -8.897
  947   2HH2  ARG  99          2HH2      ARG  99   0.573  20.966  -9.918
  948    QB   ARG  99           QB       ARG  99  -2.781  15.061 -11.405
  949    QG   ARG  99           QG       ARG  99  -2.335  16.329  -9.373
  950    QD   ARG  99           QD       ARG  99  -2.374  17.512 -11.517
  951    QH1  ARG  99           QH1      ARG  99   0.312  19.010 -12.077
  952    QH2  ARG  99           QH2      ARG  99  -0.090  20.803  -9.407
  953    H    ARG 100           H        ARG 100  -1.775  11.419  -9.699
  954    HA   ARG 100           HA       ARG 100  -2.705  10.451 -12.233
  955   1HB   ARG 100          2HB       ARG 100  -1.242   9.036 -10.012
  956   2HB   ARG 100          1HB       ARG 100  -1.400   8.477 -11.669
  957   1HG   ARG 100          2HG       ARG 100  -0.046  10.282 -12.475
  958   2HG   ARG 100          1HG       ARG 100  -0.045  11.028 -10.873
  959   1HD   ARG 100          2HD       ARG 100   2.068   9.890 -11.257
  960   2HD   ARG 100          1HD       ARG 100   1.157   9.065  -9.994
  961    HE   ARG 100           HE       ARG 100   0.740   8.021 -12.624
  962   1HH1  ARG 100          1HH1      ARG 100   2.824   7.753  -9.715
  963   2HH1  ARG 100          2HH1      ARG 100   3.368   6.185 -10.141
  964   1HH2  ARG 100          1HH2      ARG 100   1.514   5.873 -13.108
  965   2HH2  ARG 100          2HH2      ARG 100   2.627   5.127 -12.059
  966    QB   ARG 100           QB       ARG 100  -1.321   8.757 -10.841
  967    QG   ARG 100           QG       ARG 100  -0.046  10.655 -11.674
  968    QD   ARG 100           QD       ARG 100   1.612   9.477 -10.625
  969    QH1  ARG 100           QH1      ARG 100   3.096   6.969  -9.928
  970    QH2  ARG 100           QH2      ARG 100   2.071   5.500 -12.584
  971    H    PHE 101           H        PHE 101  -3.134   9.476  -8.759
  972    HA   PHE 101           HA       PHE 101  -5.563   8.227  -9.728
  973   1HB   PHE 101          2HB       PHE 101  -3.713   7.321  -7.564
  974   2HB   PHE 101          1HB       PHE 101  -5.396   6.796  -7.556
  975    HD1  PHE 101          1HD       PHE 101  -6.005   4.934  -8.750
  976    HD2  PHE 101          2HD       PHE 101  -2.426   6.959  -9.814
  977    HE1  PHE 101          1HE       PHE 101  -5.515   3.183 -10.401
  978    HE2  PHE 101          2HE       PHE 101  -1.925   5.216 -11.473
  979    HZ   PHE 101           HZ       PHE 101  -3.474   3.320 -11.774
  980    QB   PHE 101           QB       PHE 101  -4.555   7.059  -7.560
  981    QD   PHE 101           QD       PHE 101  -4.215   5.946  -9.282
  982    QE   PHE 101           QE       PHE 101  -3.720   4.199 -10.937
  983    QR   PHE 101           QR       PHE 101  -3.869   4.722 -10.442
  984    H    ALA 102           H        ALA 102  -4.588  10.630  -7.961
  985    HA   ALA 102           HA       ALA 102  -5.567  12.316  -6.751
  986   1HB   ALA 102          2HB       ALA 102  -7.072  12.370  -8.709
  987   2HB   ALA 102          3HB       ALA 102  -7.855  12.934  -7.232
  988   3HB   ALA 102          1HB       ALA 102  -8.189  11.314  -7.845
  989    MB   ALA 102           QB       ALA 102  -7.706  12.206  -7.929
  990    H    GLY 103           H        GLY 103  -6.512   9.234  -5.931
  991   1HA   GLY 103          1HA       GLY 103  -8.053   9.125  -3.800
  992   2HA   GLY 103          2HA       GLY 103  -6.691  10.049  -3.141
  993    QA   GLY 103           QA       GLY 103  -7.372   9.587  -3.471
  994    H    TRP 104           H        TRP 104  -6.418   8.006  -1.761
  995    HA   TRP 104           HA       TRP 104  -4.696   6.161  -3.166
  996   1HB   TRP 104          2HB       TRP 104  -3.865   6.870  -1.027
  997   2HB   TRP 104          1HB       TRP 104  -5.401   6.529  -0.257
  998    HD1  TRP 104           HD       TRP 104  -2.094   4.866  -1.139
  999    HE1  TRP 104          1HE       TRP 104  -2.077   2.535  -0.139
 1000    HE3  TRP 104          3HE       TRP 104  -6.976   4.598   0.310
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.006   0.788   1.159
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.785   2.821   1.324
 1003    HH2  TRP 104           HH       TRP 104  -6.441   0.876   1.798
 1004    QB   TRP 104           QB       TRP 104  -4.633   6.700  -0.642
 1005    H    HIS 105           H        HIS 105  -5.099   3.852  -3.465
 1006    HA   HIS 105           HA       HIS 105  -7.912   3.222  -3.009
 1007   1HB   HIS 105          2HB       HIS 105  -6.262   2.879  -5.477
 1008   2HB   HIS 105          1HB       HIS 105  -7.825   2.072  -5.264
 1009    HD1  HIS 105          1HD       HIS 105  -6.206   5.318  -6.086
 1010    HD2  HIS 105          2HD       HIS 105 -10.045   3.899  -5.386
 1011    HE1  HIS 105          1HE       HIS 105  -7.763   7.100  -6.945
 1012    HE2  HIS 105          2HE       HIS 105 -10.017   6.029  -6.823
 1013    QB   HIS 105           QB       HIS 105  -7.044   2.476  -5.370
 1014    H    MET 106           H        MET 106  -8.341   1.270  -2.342
 1015    HA   MET 106           HA       MET 106  -6.229  -0.733  -2.112
 1016   1HB   MET 106          2HB       MET 106  -7.042  -0.383   0.068
 1017   2HB   MET 106          1HB       MET 106  -8.669  -0.055  -0.486
 1018   1HG   MET 106          2HG       MET 106  -8.546  -2.129   0.781
 1019   2HG   MET 106          1HG       MET 106  -9.039  -2.419  -0.872
 1020   1HE   MET 106          3HE       MET 106  -5.512  -1.935   0.908
 1021   2HE   MET 106          2HE       MET 106  -6.347  -3.130   1.901
 1022   3HE   MET 106          1HE       MET 106  -4.958  -3.618   0.932
 1023    QB   MET 106           QB       MET 106  -7.855  -0.219  -0.209
 1024    QG   MET 106           QG       MET 106  -8.792  -2.274  -0.046
 1025    ME   MET 106           QE       MET 106  -5.605  -2.894   1.247
 1026    H    GLN 107           H        GLN 107  -6.535  -2.652  -3.129
 1027    HA   GLN 107           HA       GLN 107  -8.466  -2.682  -5.243
 1028   1HB   GLN 107          2HB       GLN 107  -6.170  -3.594  -5.477
 1029   2HB   GLN 107          1HB       GLN 107  -6.596  -4.886  -4.368
 1030   1HG   GLN 107          2HG       GLN 107  -8.411  -5.543  -5.940
 1031   2HG   GLN 107          1HG       GLN 107  -7.777  -4.355  -7.071
 1032   1HE2  GLN 107          1HE2      GLN 107  -8.055  -7.173  -7.322
 1033   2HE2  GLN 107          2HE2      GLN 107  -6.487  -7.817  -7.660
 1034    QB   GLN 107           QB       GLN 107  -6.383  -4.240  -4.923
 1035    QG   GLN 107           QG       GLN 107  -8.094  -4.949  -6.506
 1036    QE   GLN 107           QE2      GLN 107  -7.271  -7.495  -7.491
 1037    H    LEU 108           H        LEU 108  -8.108  -4.356  -2.172
 1038    HA   LEU 108           HA       LEU 108 -10.285  -6.159  -2.718
 1039   1HB   LEU 108          2HB       LEU 108  -8.620  -5.718  -0.251
 1040   2HB   LEU 108          1HB       LEU 108 -10.031  -6.742  -0.226
 1041    HG   LEU 108           HG       LEU 108  -8.075  -8.095  -0.390
 1042   1HD1  LEU 108          3HD1      LEU 108 -10.013  -8.870  -1.596
 1043   2HD1  LEU 108          2HD1      LEU 108  -9.452  -8.049  -3.058
 1044   3HD1  LEU 108          1HD1      LEU 108  -8.519  -9.374  -2.379
 1045   1HD2  LEU 108          3HD2      LEU 108  -6.529  -6.479  -1.322
 1046   2HD2  LEU 108          2HD2      LEU 108  -6.510  -7.970  -2.265
 1047   3HD2  LEU 108          1HD2      LEU 108  -7.362  -6.548  -2.874
 1048    MD1  LEU 108           QD1      LEU 108  -9.328  -8.764  -2.345
 1049    MD2  LEU 108           QD2      LEU 108  -6.800  -6.999  -2.154
 1050    QB   LEU 108           QB       LEU 108  -9.325  -6.230  -0.238
 1051    QD   LEU 108           QQD      LEU 108  -8.064  -7.882  -2.249
 1052    H    SER 109           H        SER 109  -9.905  -4.172   0.155
 1053    HA   SER 109           HA       SER 109 -11.256  -2.902   1.385
 1054   1HB   SER 109          2HB       SER 109 -12.934  -2.591  -1.122
 1055   2HB   SER 109          1HB       SER 109 -13.047  -1.581   0.320
 1056    HG   SER 109           HG       SER 109 -11.397  -0.484  -0.353
 1057    QB   SER 109           QB       SER 109 -12.991  -2.086  -0.401
 1058    H    CYS 110           H        CYS 110 -12.989  -5.224  -0.531
 1059    HA   CYS 110           HA       CYS 110 -14.129  -6.519   1.737
 1060   1HB   CYS 110          2HB       CYS 110 -16.509  -6.197   1.014
 1061   2HB   CYS 110          1HB       CYS 110 -15.756  -4.718   1.611
 1062    HG   CYS 110           HG       CYS 110 -17.514  -4.807  -0.938
 1063    QB   CYS 110           QB       CYS 110 -16.133  -5.458   1.312
 1064    H    SER 111           H        SER 111 -13.737  -6.041  -1.722
 1065    HA   SER 111           HA       SER 111 -13.981  -7.225  -3.499
 1066   1HB   SER 111          2HB       SER 111 -13.141  -9.667  -3.414
 1067   2HB   SER 111          1HB       SER 111 -12.011  -8.418  -2.917
 1068    HG   SER 111           HG       SER 111 -13.574  -9.415  -0.907
 1069    QB   SER 111           QB       SER 111 -12.576  -9.043  -3.165
 1070    H    GLU 112           H        GLU 112 -16.070  -6.625  -3.175
 1071    HA   GLU 112           HA       GLU 112 -18.301  -6.830  -3.454
 1072   1HB   GLU 112          2HB       GLU 112 -17.943  -9.815  -3.701
 1073   2HB   GLU 112          1HB       GLU 112 -19.323  -8.860  -4.173
 1074   1HG   GLU 112          2HG       GLU 112 -17.958  -7.859  -5.935
 1075   2HG   GLU 112          1HG       GLU 112 -16.626  -8.923  -5.458
 1076    QB   GLU 112           QB       GLU 112 -18.633  -9.337  -3.937
 1077    QG   GLU 112           QG       GLU 112 -17.292  -8.391  -5.696
 1078    H    ALA 113           H        ALA 113 -17.397  -9.829  -1.887
 1079    HA   ALA 113           HA       ALA 113 -18.233 -11.077  -0.274
 1080   1HB   ALA 113          2HB       ALA 113 -19.192  -8.527   1.055
 1081   2HB   ALA 113          3HB       ALA 113 -17.559  -9.173   1.218
 1082   3HB   ALA 113          1HB       ALA 113 -18.940 -10.079   1.847
 1083    MB   ALA 113           QB       ALA 113 -18.564  -9.260   1.373
 1084    H    ASP 114           H        ASP 114 -19.800 -10.005  -2.486
 1085    HA   ASP 114           HA       ASP 114 -22.498 -10.698  -1.590
 1086   1HB   ASP 114          2HB       ASP 114 -22.342  -8.577  -2.760
 1087   2HB   ASP 114          1HB       ASP 114 -21.555  -9.351  -4.128
 1088    QB   ASP 114           QB       ASP 114 -21.948  -8.964  -3.444
 1089    H    MET 115           H        MET 115 -20.646 -11.095  -4.598
 1090    HA   MET 115           HA       MET 115 -22.008 -13.561  -5.203
 1091   1HB   MET 115          2HB       MET 115 -21.195 -11.881  -6.930
 1092   2HB   MET 115          1HB       MET 115 -19.566 -12.389  -6.498
 1093   1HG   MET 115          2HG       MET 115 -19.975 -14.605  -7.294
 1094   2HG   MET 115          1HG       MET 115 -21.654 -14.203  -7.660
 1095   1HE   MET 115          2HE       MET 115 -17.884 -13.626  -8.605
 1096   2HE   MET 115          1HE       MET 115 -18.010 -12.418  -9.885
 1097   3HE   MET 115          3HE       MET 115 -18.404 -11.984  -8.223
 1098    QB   MET 115           QB       MET 115 -20.381 -12.135  -6.714
 1099    QG   MET 115           QG       MET 115 -20.815 -14.404  -7.477
 1100    ME   MET 115           QE       MET 115 -18.099 -12.676  -8.904
 1101    H    ARG 116           H        ARG 116 -18.653 -12.592  -4.554
 1102    HA   ARG 116           HA       ARG 116 -17.016 -13.515  -3.320
 1103   1HB   ARG 116          2HB       ARG 116 -19.182 -15.379  -2.416
 1104   2HB   ARG 116          1HB       ARG 116 -17.574 -15.313  -1.686
 1105   1HG   ARG 116          2HG       ARG 116 -17.967 -13.093  -0.900
 1106   2HG   ARG 116          1HG       ARG 116 -19.440 -12.961  -1.853
 1107   1HD   ARG 116          2HD       ARG 116 -19.023 -14.859   0.463
 1108   2HD   ARG 116          1HD       ARG 116 -19.888 -13.323   0.525
 1109    HE   ARG 116           HE       ARG 116 -20.902 -15.104  -1.478
 1110   1HH1  ARG 116          1HH1      ARG 116 -21.120 -14.271   1.967
 1111   2HH1  ARG 116          2HH1      ARG 116 -22.688 -14.896   2.144
 1112   1HH2  ARG 116          1HH2      ARG 116 -23.058 -15.982  -1.187
 1113   2HH2  ARG 116          2HH2      ARG 116 -23.799 -15.905   0.339
 1114    QB   ARG 116           QB       ARG 116 -18.378 -15.346  -2.051
 1115    QG   ARG 116           QG       ARG 116 -18.704 -13.027  -1.377
 1116    QD   ARG 116           QD       ARG 116 -19.456 -14.091   0.494
 1117    QH1  ARG 116           QH1      ARG 116 -21.904 -14.584   2.056
 1118    QH2  ARG 116           QH2      ARG 116 -23.428 -15.944  -0.424
 1119    H    SER 117           H        SER 117 -18.463 -15.095  -5.829
 1120    HA   SER 117           HA       SER 117 -17.202 -17.609  -5.854
 1121   1HB   SER 117          2HB       SER 117 -18.264 -15.990  -8.168
 1122   2HB   SER 117          1HB       SER 117 -18.045 -17.740  -8.111
 1123    HG   SER 117           HG       SER 117 -19.958 -17.808  -7.354
 1124    QB   SER 117           QB       SER 117 -18.154 -16.865  -8.139
 1125    H    LEU 118           H        LEU 118 -15.780 -14.716  -6.004
 1126    HA   LEU 118           HA       LEU 118 -13.827 -15.158  -8.031
 1127   1HB   LEU 118          2HB       LEU 118 -12.662 -13.180  -6.925
 1128   2HB   LEU 118          1HB       LEU 118 -14.234 -12.899  -7.630
 1129    HG   LEU 118           HG       LEU 118 -15.202 -13.057  -5.298
 1130   1HD1  LEU 118          1HD1      LEU 118 -13.411 -14.235  -4.175
 1131   2HD1  LEU 118          3HD1      LEU 118 -12.323 -12.870  -4.441
 1132   3HD1  LEU 118          2HD1      LEU 118 -13.733 -12.686  -3.398
 1133   1HD2  LEU 118          2HD2      LEU 118 -14.877 -10.929  -6.419
 1134   2HD2  LEU 118          1HD2      LEU 118 -14.555 -10.785  -4.697
 1135   3HD2  LEU 118          3HD2      LEU 118 -13.212 -10.859  -5.835
 1136    MD1  LEU 118           QD1      LEU 118 -13.156 -13.264  -4.005
 1137    MD2  LEU 118           QD2      LEU 118 -14.215 -10.858  -5.650
 1138    QB   LEU 118           QB       LEU 118 -13.448 -13.040  -7.277
 1139    QD   LEU 118           QQD      LEU 118 -13.685 -12.061  -4.828
 1140    H    GLY 119           H        GLY 119 -14.211 -16.809  -5.287
 1141   1HA   GLY 119          1HA       GLY 119 -11.322 -17.090  -4.784
 1142   2HA   GLY 119          2HA       GLY 119 -12.260 -18.499  -5.258
 1143    QA   GLY 119           QA       GLY 119 -11.791 -17.795  -5.021
 1144    H    LEU 120           H        LEU 120 -13.595 -16.037  -3.256
 1145    HA   LEU 120           HA       LEU 120 -12.965 -17.100  -0.696
 1146   1HB   LEU 120          2HB       LEU 120 -13.881 -14.755  -1.291
 1147   2HB   LEU 120          1HB       LEU 120 -15.407 -15.621  -1.475
 1148    HG   LEU 120           HG       LEU 120 -15.488 -16.166   0.869
 1149   1HD1  LEU 120          1HD1      LEU 120 -12.854 -14.707   1.102
 1150   2HD1  LEU 120          3HD1      LEU 120 -13.834 -15.292   2.446
 1151   3HD1  LEU 120          2HD1      LEU 120 -13.120 -16.439   1.328
 1152   1HD2  LEU 120          2HD2      LEU 120 -14.860 -13.253   0.409
 1153   2HD2  LEU 120          1HD2      LEU 120 -16.425 -14.031   0.178
 1154   3HD2  LEU 120          3HD2      LEU 120 -15.729 -13.908   1.794
 1155    MD1  LEU 120           QD1      LEU 120 -13.269 -15.479   1.625
 1156    MD2  LEU 120           QD2      LEU 120 -15.672 -13.731   0.794
 1157    QB   LEU 120           QB       LEU 120 -14.644 -15.188  -1.383
 1158    QD   LEU 120           QQD      LEU 120 -14.471 -14.605   1.209
 1159    H    ALA 121           H        ALA 121 -15.835 -17.254  -2.758
 1160    HA   ALA 121           HA       ALA 121 -16.671 -19.502  -1.230
 1161   1HB   ALA 121          2HB       ALA 121 -18.939 -19.129  -2.160
 1162   2HB   ALA 121          1HB       ALA 121 -18.331 -17.719  -1.286
 1163   3HB   ALA 121          3HB       ALA 121 -18.315 -17.742  -3.046
 1164    MB   ALA 121           QB       ALA 121 -18.528 -18.197  -2.164
 1165    H    GLU 122           H        GLU 122 -15.408 -21.006  -2.314
 1166    HA   GLU 122           HA       GLU 122 -15.683 -21.309  -5.201
 1167   1HB   GLU 122          2HB       GLU 122 -13.430 -21.480  -4.265
 1168   2HB   GLU 122          1HB       GLU 122 -13.960 -22.736  -3.160
 1169   1HG   GLU 122          2HG       GLU 122 -14.376 -24.227  -5.052
 1170   2HG   GLU 122          1HG       GLU 122 -13.835 -22.969  -6.163
 1171    QB   GLU 122           QB       GLU 122 -13.695 -22.108  -3.712
 1172    QG   GLU 122           QG       GLU 122 -14.106 -23.598  -5.607
 1173    H    SER 123           H        SER 123 -16.560 -22.732  -2.167
 1174    HA   SER 123           HA       SER 123 -17.958 -24.280  -1.494
 1175   1HB   SER 123          2HB       SER 123 -19.045 -24.187  -4.314
 1176   2HB   SER 123          1HB       SER 123 -19.823 -25.015  -2.957
 1177    HG   SER 123           HG       SER 123 -19.038 -22.382  -2.620
 1178    QB   SER 123           QB       SER 123 -19.434 -24.601  -3.636
 1179    H    ARG 124           H        ARG 124 -16.794 -25.852  -0.885
 1180    HA   ARG 124           HA       ARG 124 -15.343 -27.762  -2.208
 1181   1HB   ARG 124          2HB       ARG 124 -15.558 -29.224  -0.241
 1182   2HB   ARG 124          1HB       ARG 124 -15.280 -27.559   0.230
 1183   1HG   ARG 124          2HG       ARG 124 -18.021 -28.822   0.214
 1184   2HG   ARG 124          1HG       ARG 124 -16.953 -28.866   1.615
 1185   1HD   ARG 124          2HD       ARG 124 -16.987 -26.465   1.779
 1186   2HD   ARG 124          1HD       ARG 124 -17.876 -26.330   0.262
 1187    HE   ARG 124           HE       ARG 124 -19.362 -27.901   1.952
 1188   1HH1  ARG 124          1HH1      ARG 124 -18.136 -24.579   2.107
 1189   2HH1  ARG 124          2HH1      ARG 124 -19.570 -23.918   2.739
 1190   1HH2  ARG 124          1HH2      ARG 124 -21.356 -26.988   2.803
 1191   2HH2  ARG 124          2HH2      ARG 124 -21.446 -25.335   3.172
 1192    QB   ARG 124           QB       ARG 124 -15.419 -28.391  -0.005
 1193    QG   ARG 124           QG       ARG 124 -17.487 -28.844   0.915
 1194    QD   ARG 124           QD       ARG 124 -17.431 -26.397   1.021
 1195    QH1  ARG 124           QH1      ARG 124 -18.853 -24.248   2.423
 1196    QH2  ARG 124           QH2      ARG 124 -21.401 -26.162   2.987
 1197    H    GLN 125           H        GLN 125 -18.780 -27.549  -2.157
 1198    HA   GLN 125           HA       GLN 125 -18.962 -29.651  -4.065
 1199   1HB   GLN 125          2HB       GLN 125 -19.161 -30.872  -1.874
 1200   2HB   GLN 125          1HB       GLN 125 -20.547 -29.865  -1.486
 1201   1HG   GLN 125          2HG       GLN 125 -21.472 -31.849  -2.254
 1202   2HG   GLN 125          1HG       GLN 125 -21.597 -30.739  -3.607
 1203   1HE2  GLN 125          1HE2      GLN 125 -18.540 -31.216  -4.131
 1204   2HE2  GLN 125          2HE2      GLN 125 -18.561 -32.708  -4.940
 1205    QB   GLN 125           QB       GLN 125 -19.854 -30.369  -1.680
 1206    QG   GLN 125           QG       GLN 125 -21.534 -31.294  -2.931
 1207    QE   GLN 125           QE2      GLN 125 -18.550 -31.962  -4.535

  No H/Q in entry =        1207
  Start of MODEL    3
    1    H1   LEU   5          2HT       LEU   5   1.003  35.287 -22.813
    2    H2   LEU   5          1HT       LEU   5   1.944  34.457 -23.951
    3    H3   LEU   5          3HT       LEU   5   0.251  34.453 -24.057
    4    HA   LEU   5           HA       LEU   5   0.093  33.276 -21.994
    5   1HB   LEU   5          2HB       LEU   5   0.320  32.011 -24.124
    6   2HB   LEU   5          1HB       LEU   5   2.060  31.993 -23.875
    7    HG   LEU   5           HG       LEU   5   1.737  30.616 -21.871
    8   1HD1  LEU   5          1HD1      LEU   5  -1.145  30.652 -22.710
    9   2HD1  LEU   5          3HD1      LEU   5  -0.448  29.582 -21.500
   10   3HD1  LEU   5          2HD1      LEU   5  -0.477  31.324 -21.218
   11   1HD2  LEU   5          1HD2      LEU   5   2.181  29.596 -24.025
   12   2HD2  LEU   5          3HD2      LEU   5   1.113  28.579 -23.057
   13   3HD2  LEU   5          2HD2      LEU   5   0.452  29.557 -24.371
   14    MD1  LEU   5           QD1      LEU   5  -0.690  30.520 -21.810
   15    MD2  LEU   5           QD2      LEU   5   1.249  29.244 -23.818
   16    QB   LEU   5           QB       LEU   5   1.190  32.002 -23.999
   17    QD   LEU   5           QQD      LEU   5   0.279  29.882 -22.814
   18    H    GLU   6           H        GLU   6   1.029  32.646 -20.146
   19    HA   GLU   6           HA       GLU   6   3.778  33.443 -19.651
   20   1HB   GLU   6          2HB       GLU   6   1.912  34.444 -18.274
   21   2HB   GLU   6          1HB       GLU   6   1.616  32.787 -17.738
   22   1HG   GLU   6          2HG       GLU   6   2.852  34.294 -16.215
   23   2HG   GLU   6          1HG       GLU   6   3.643  32.736 -16.544
   24    QB   GLU   6           QB       GLU   6   1.764  33.615 -18.006
   25    QG   GLU   6           QG       GLU   6   3.248  33.515 -16.379
   26    H    ALA   7           H        ALA   7   4.894  32.092 -18.161
   27    HA   ALA   7           HA       ALA   7   5.396  29.541 -19.081
   28   1HB   ALA   7          2HB       ALA   7   5.805  30.471 -16.246
   29   2HB   ALA   7          1HB       ALA   7   6.631  29.127 -17.037
   30   3HB   ALA   7          3HB       ALA   7   6.900  30.781 -17.590
   31    MB   ALA   7           QB       ALA   7   6.445  30.126 -16.958
   32    H    ASP   8           H        ASP   8   4.637  27.601 -18.805
   33    HA   ASP   8           HA       ASP   8   2.111  27.241 -17.390
   34   1HB   ASP   8          2HB       ASP   8   2.330  26.555 -19.766
   35   2HB   ASP   8          1HB       ASP   8   3.638  25.472 -19.323
   36    QB   ASP   8           QB       ASP   8   2.984  26.013 -19.544
   37    H    VAL   9           H        VAL   9   1.907  25.089 -16.151
   38    HA   VAL   9           HA       VAL   9   3.808  24.920 -14.284
   39    HB   VAL   9           HB       VAL   9   2.696  22.806 -13.502
   40   1HG1  VAL   9          2HG1      VAL   9   0.952  25.195 -14.089
   41   2HG1  VAL   9          1HG1      VAL   9   0.608  23.946 -12.889
   42   3HG1  VAL   9          3HG1      VAL   9   2.010  24.994 -12.697
   43   1HG2  VAL   9          3HG2      VAL   9   2.012  22.004 -15.670
   44   2HG2  VAL   9          2HG2      VAL   9   0.590  22.194 -14.612
   45   3HG2  VAL   9          1HG2      VAL   9   0.964  23.404 -15.859
   46    MG1  VAL   9           QG1      VAL   9   1.190  24.711 -13.225
   47    MG2  VAL   9           QG2      VAL   9   1.189  22.534 -15.380
   48    QG   VAL   9           QQG      VAL   9   1.189  23.623 -14.303
   49    H    THR  10           H        THR  10   3.518  23.291 -17.302
   50    HA   THR  10           HA       THR  10   4.764  21.868 -18.496
   51    HB   THR  10           HB       THR  10   7.131  21.940 -18.252
   52    HG1  THR  10          1HG       THR  10   6.632  22.893 -15.827
   53   1HG2  THR  10          1HG2      THR  10   6.017  23.491 -19.697
   54   2HG2  THR  10          3HG2      THR  10   5.753  24.610 -18.360
   55   3HG2  THR  10          2HG2      THR  10   7.388  24.309 -18.944
   56    MG   THR  10           QG2      THR  10   6.386  24.137 -19.001
   57    H    MET  11           H        MET  11   7.077  20.268 -17.845
   58    HA   MET  11           HA       MET  11   5.548  18.091 -16.785
   59   1HB   MET  11          2HB       MET  11   8.282  18.301 -18.007
   60   2HB   MET  11          1HB       MET  11   7.640  16.803 -17.359
   61   1HG   MET  11          2HG       MET  11   5.791  16.904 -18.952
   62   2HG   MET  11          1HG       MET  11   6.421  18.415 -19.593
   63   1HE   MET  11          2HE       MET  11   9.570  17.885 -19.610
   64   2HE   MET  11          1HE       MET  11   9.796  17.242 -21.229
   65   3HE   MET  11          3HE       MET  11   8.711  18.606 -20.976
   66    QB   MET  11           QB       MET  11   7.961  17.552 -17.683
   67    QG   MET  11           QG       MET  11   6.106  17.659 -19.273
   68    ME   MET  11           QE       MET  11   9.359  17.911 -20.605
   69    H    THR  12           H        THR  12   6.697  16.532 -15.357
   70    HA   THR  12           HA       THR  12   7.521  15.830 -13.428
   71    HB   THR  12           HB       THR  12   9.391  16.736 -12.371
   72    HG1  THR  12          1HG       THR  12   8.881  18.988 -13.973
   73   1HG2  THR  12          1HG2      THR  12   9.683  16.680 -15.362
   74   2HG2  THR  12          3HG2      THR  12  11.055  16.667 -14.256
   75   3HG2  THR  12          2HG2      THR  12   9.894  15.342 -14.229
   76    MG   THR  12           QG2      THR  12  10.211  16.230 -14.616
   77    H    GLY  13           H        GLY  13   5.918  18.767 -13.509
   78   1HA   GLY  13          1HA       GLY  13   4.884  18.421 -10.871
   79   2HA   GLY  13          2HA       GLY  13   4.663  19.842 -11.900
   80    QA   GLY  13           QA       GLY  13   4.774  19.132 -11.385
   81    H    SER  14           H        SER  14   6.427  18.416  -9.345
   82    HA   SER  14           HA       SER  14   8.747  19.888  -9.348
   83   1HB   SER  14          2HB       SER  14   7.210  21.859  -9.020
   84   2HB   SER  14          1HB       SER  14   6.725  21.157  -7.483
   85    HG   SER  14           HG       SER  14   8.531  22.781  -7.599
   86    QB   SER  14           QB       SER  14   6.968  21.508  -8.251
   87    H    ASP  15           H        ASP  15   6.467  19.375  -6.542
   88    HA   ASP  15           HA       ASP  15   8.557  17.813  -5.420
   89   1HB   ASP  15          2HB       ASP  15   7.579  18.654  -3.340
   90   2HB   ASP  15          1HB       ASP  15   8.513  19.869  -4.193
   91    QB   ASP  15           QB       ASP  15   8.046  19.261  -3.766
   92    H    LEU  16           H        LEU  16   6.906  16.549  -6.865
   93    HA   LEU  16           HA       LEU  16   5.555  15.005  -4.813
   94   1HB   LEU  16          2HB       LEU  16   4.949  15.014  -7.725
   95   2HB   LEU  16          1HB       LEU  16   4.089  14.121  -6.480
   96    HG   LEU  16           HG       LEU  16   2.676  15.709  -7.005
   97   1HD1  LEU  16          2HD1      LEU  16   4.114  16.984  -4.753
   98   2HD1  LEU  16          1HD1      LEU  16   2.505  17.457  -5.305
   99   3HD1  LEU  16          3HD1      LEU  16   2.790  15.824  -4.696
  100   1HD2  LEU  16          3HD2      LEU  16   4.900  17.630  -7.474
  101   2HD2  LEU  16          2HD2      LEU  16   3.767  16.827  -8.589
  102   3HD2  LEU  16          1HD2      LEU  16   3.168  18.080  -7.504
  103    MD1  LEU  16           QD1      LEU  16   3.136  16.755  -4.918
  104    MD2  LEU  16           QD2      LEU  16   3.945  17.512  -7.855
  105    QB   LEU  16           QB       LEU  16   4.519  14.568  -7.103
  106    QD   LEU  16           QQD      LEU  16   3.541  17.134  -6.387
  107    H    VAL  17           H        VAL  17   5.735  12.901  -4.860
  108    HA   VAL  17           HA       VAL  17   7.687  11.821  -6.475
  109    HB   VAL  17           HB       VAL  17   7.971  12.121  -3.489
  110   1HG1  VAL  17          1HG1      VAL  17   9.216  10.186  -5.275
  111   2HG1  VAL  17          3HG1      VAL  17   9.907  10.547  -3.662
  112   3HG1  VAL  17          2HG1      VAL  17   8.230   9.912  -3.790
  113   1HG2  VAL  17          2HG2      VAL  17   9.098  13.815  -4.922
  114   2HG2  VAL  17          1HG2      VAL  17  10.238  12.857  -3.970
  115   3HG2  VAL  17          3HG2      VAL  17  10.008  12.513  -5.673
  116    MG1  VAL  17           QG1      VAL  17   9.118  10.215  -4.242
  117    MG2  VAL  17           QG2      VAL  17   9.781  13.062  -4.855
  118    QG   VAL  17           QQG      VAL  17   9.450  11.638  -4.549
  119    H    SER  18           H        SER  18   7.388   9.455  -6.319
  120    HA   SER  18           HA       SER  18   5.128   8.585  -4.690
  121   1HB   SER  18          2HB       SER  18   4.444   7.030  -6.473
  122   2HB   SER  18          1HB       SER  18   4.366   8.705  -7.017
  123    HG   SER  18           HG       SER  18   5.381   7.656  -8.623
  124    QB   SER  18           QB       SER  18   4.405   7.867  -6.745
  125    H    CYS  19           H        CYS  19   5.577   6.856  -3.461
  126    HA   CYS  19           HA       CYS  19   8.073   5.454  -4.018
  127   1HB   CYS  19          2HB       CYS  19   7.955   4.641  -1.711
  128   2HB   CYS  19          1HB       CYS  19   7.698   6.371  -1.722
  129    HG   CYS  19           HG       CYS  19   4.997   4.447  -1.874
  130    QB   CYS  19           QB       CYS  19   7.826   5.506  -1.716
  131    H    CYS  20           H        CYS  20   7.921   3.526  -5.021
  132    HA   CYS  20           HA       CYS  20   5.236   2.351  -5.242
  133   1HB   CYS  20          2HB       CYS  20   7.649   2.073  -7.060
  134   2HB   CYS  20          1HB       CYS  20   6.051   1.393  -7.344
  135    HG   CYS  20           HG       CYS  20   6.748   4.744  -7.243
  136    QB   CYS  20           QB       CYS  20   6.850   1.733  -7.202
  137    H    TYR  21           H        TYR  21   5.136   0.619  -3.805
  138    HA   TYR  21           HA       TYR  21   7.692  -0.763  -3.489
  139   1HB   TYR  21          2HB       TYR  21   7.583  -0.812  -1.243
  140   2HB   TYR  21          1HB       TYR  21   7.074   0.805  -1.638
  141    HD1  TYR  21          1HD       TYR  21   5.673  -2.539  -0.598
  142    HD2  TYR  21          2HD       TYR  21   5.256   1.727  -0.537
  143    HE1  TYR  21          1HE       TYR  21   3.856  -2.712   1.060
  144    HE2  TYR  21          2HE       TYR  21   3.509   1.546   1.064
  145    HH   TYR  21           HH       TYR  21   1.836  -0.159   1.883
  146    QB   TYR  21           QB       TYR  21   7.329  -0.004  -1.440
  147    QD   TYR  21           QD       TYR  21   5.464  -0.406  -0.567
  148    QE   TYR  21           QE       TYR  21   3.682  -0.583   1.062
  149    QR   TYR  21           QR       TYR  21   4.573  -0.495   0.247
  150    H    ARG  22           H        ARG  22   7.506  -2.865  -2.707
  151    HA   ARG  22           HA       ARG  22   4.893  -4.164  -3.130
  152   1HB   ARG  22          2HB       ARG  22   5.975  -6.121  -3.906
  153   2HB   ARG  22          1HB       ARG  22   6.652  -4.778  -4.809
  154   1HG   ARG  22          2HG       ARG  22   8.682  -4.859  -3.661
  155   2HG   ARG  22          1HG       ARG  22   7.998  -5.831  -2.352
  156   1HD   ARG  22          2HD       ARG  22   7.619  -7.606  -3.915
  157   2HD   ARG  22          1HD       ARG  22   8.441  -6.672  -5.178
  158    HE   ARG  22           HE       ARG  22   9.916  -7.167  -2.703
  159   1HH1  ARG  22          1HH1      ARG  22   9.295  -8.435  -5.941
  160   2HH1  ARG  22          2HH1      ARG  22  10.858  -9.088  -6.141
  161   1HH2  ARG  22          1HH2      ARG  22  12.043  -8.031  -2.969
  162   2HH2  ARG  22          2HH2      ARG  22  12.465  -8.842  -4.406
  163    QB   ARG  22           QB       ARG  22   6.313  -5.450  -4.358
  164    QG   ARG  22           QG       ARG  22   8.340  -5.345  -3.007
  165    QD   ARG  22           QD       ARG  22   8.030  -7.139  -4.547
  166    QH1  ARG  22           QH1      ARG  22  10.077  -8.762  -6.041
  167    QH2  ARG  22           QH2      ARG  22  12.254  -8.437  -3.687
  168    H    SER  23           H        SER  23   4.606  -6.055  -1.804
  169    HA   SER  23           HA       SER  23   6.584  -6.534   0.177
  170   1HB   SER  23          2HB       SER  23   3.748  -5.869   1.016
  171   2HB   SER  23          1HB       SER  23   4.988  -6.535   2.075
  172    HG   SER  23           HG       SER  23   5.735  -4.303   0.691
  173    QB   SER  23           QB       SER  23   4.368  -6.202   1.546
  174    H    LEU  24           H        LEU  24   6.134  -8.604   1.213
  175    HA   LEU  24           HA       LEU  24   4.260 -10.189  -0.407
  176   1HB   LEU  24          2HB       LEU  24   6.848 -11.012   0.923
  177   2HB   LEU  24          1HB       LEU  24   5.675 -12.191   0.383
  178    HG   LEU  24           HG       LEU  24   7.487 -12.048  -1.189
  179   1HD1  LEU  24          3HD1      LEU  24   5.322 -12.506  -2.108
  180   2HD1  LEU  24          2HD1      LEU  24   5.032 -10.777  -2.335
  181   3HD1  LEU  24          1HD1      LEU  24   6.305 -11.583  -3.244
  182   1HD2  LEU  24          1HD2      LEU  24   6.823  -9.122  -1.481
  183   2HD2  LEU  24          3HD2      LEU  24   8.291  -9.774  -0.755
  184   3HD2  LEU  24          2HD2      LEU  24   7.964  -9.999  -2.480
  185    MD1  LEU  24           QD1      LEU  24   5.553 -11.622  -2.562
  186    MD2  LEU  24           QD2      LEU  24   7.693  -9.632  -1.572
  187    QB   LEU  24           QB       LEU  24   6.261 -11.602   0.653
  188    QD   LEU  24           QQD      LEU  24   6.623 -10.627  -2.067
  189    H    ALA  25           H        ALA  25   2.610  -9.409   0.963
  190    HA   ALA  25           HA       ALA  25   2.248  -8.999   3.542
  191   1HB   ALA  25          3HB       ALA  25   0.334 -10.691   1.962
  192   2HB   ALA  25          1HB       ALA  25   0.465  -8.936   1.869
  193   3HB   ALA  25          2HB       ALA  25  -0.048  -9.698   3.368
  194    MB   ALA  25           QB       ALA  25   0.250  -9.775   2.400
  195    H    ALA  26           H        ALA  26   2.454  -9.996   5.606
  196    HA   ALA  26           HA       ALA  26   3.713 -12.355   5.645
  197   1HB   ALA  26          1HB       ALA  26   3.907 -10.673   7.264
  198   2HB   ALA  26          3HB       ALA  26   2.220 -10.826   7.735
  199   3HB   ALA  26          2HB       ALA  26   3.354 -12.160   8.075
  200    MB   ALA  26           QB       ALA  26   3.160 -11.220   7.692
  201    HA   PRO  27           HA       PRO  27   0.456 -15.385   5.173
  202   1HB   PRO  27          2HB       PRO  27   1.829 -17.444   6.310
  203   2HB   PRO  27          1HB       PRO  27   2.150 -16.838   4.674
  204   1HG   PRO  27          2HG       PRO  27   3.428 -15.878   7.231
  205   2HG   PRO  27          1HG       PRO  27   4.297 -16.617   5.819
  206   1HD   PRO  27          2HD       PRO  27   4.224 -14.112   6.160
  207   2HD   PRO  27          1HD       PRO  27   3.670 -14.700   4.566
  208    QB   PRO  27           QB       PRO  27   1.989 -17.141   5.492
  209    QG   PRO  27           QG       PRO  27   3.862 -16.248   6.525
  210    QD   PRO  27           QD       PRO  27   3.947 -14.406   5.363
  211    H    ASP  28           H        ASP  28   1.446 -14.087   7.947
  212    HA   ASP  28           HA       ASP  28  -0.360 -15.727   9.585
  213   1HB   ASP  28          2HB       ASP  28   0.864 -15.033  11.597
  214   2HB   ASP  28          1HB       ASP  28   1.958 -15.774  10.437
  215    QB   ASP  28           QB       ASP  28   1.411 -15.404  11.017
  216    H    LEU  29           H        LEU  29  -0.805 -13.397   7.804
  217    HA   LEU  29           HA       LEU  29  -1.563 -11.277   9.512
  218   1HB   LEU  29          2HB       LEU  29  -1.915 -11.733   6.613
  219   2HB   LEU  29          1HB       LEU  29  -2.700 -10.383   7.426
  220    HG   LEU  29           HG       LEU  29   0.242 -10.934   7.284
  221   1HD1  LEU  29          3HD1      LEU  29  -0.862 -10.222   5.208
  222   2HD1  LEU  29          2HD1      LEU  29  -1.391  -8.753   6.050
  223   3HD1  LEU  29          1HD1      LEU  29   0.354  -9.086   5.813
  224   1HD2  LEU  29          3HD2      LEU  29  -1.303  -8.681   8.558
  225   2HD2  LEU  29          2HD2      LEU  29  -0.266  -9.862   9.368
  226   3HD2  LEU  29          1HD2      LEU  29   0.430  -8.700   8.250
  227    MD1  LEU  29           QD1      LEU  29  -0.633  -9.354   5.690
  228    MD2  LEU  29           QD2      LEU  29  -0.379  -9.081   8.726
  229    QB   LEU  29           QB       LEU  29  -2.308 -11.058   7.019
  230    QD   LEU  29           QQD      LEU  29  -0.506  -9.217   7.208
  231    H    THR  30           H        THR  30  -3.286 -10.511  10.105
  232    HA   THR  30           HA       THR  30  -5.689 -12.094  10.186
  233    HB   THR  30           HB       THR  30  -5.870  -9.927  11.623
  234    HG1  THR  30          1HG       THR  30  -3.849  -9.315  12.147
  235   1HG2  THR  30          2HG2      THR  30  -4.864 -12.629  12.297
  236   2HG2  THR  30          1HG2      THR  30  -5.460 -11.482  13.526
  237   3HG2  THR  30          3HG2      THR  30  -6.551 -12.060  12.248
  238    MG   THR  30           QG2      THR  30  -5.625 -12.057  12.690
  239    H    LEU  31           H        LEU  31  -7.518 -11.333   9.411
  240    HA   LEU  31           HA       LEU  31  -7.807  -9.364   7.377
  241   1HB   LEU  31          2HB       LEU  31  -9.380 -11.222   8.040
  242   2HB   LEU  31          1HB       LEU  31  -9.634 -10.162   9.446
  243    HG   LEU  31           HG       LEU  31 -10.697  -8.488   8.122
  244   1HD1  LEU  31          2HD1      LEU  31  -9.416  -8.710   6.093
  245   2HD1  LEU  31          1HD1      LEU  31 -10.238 -10.238   5.708
  246   3HD1  LEU  31          3HD1      LEU  31 -11.145  -8.715   5.794
  247   1HD2  LEU  31          2HD2      LEU  31 -12.102 -10.267   8.954
  248   2HD2  LEU  31          1HD2      LEU  31 -12.694  -9.674   7.402
  249   3HD2  LEU  31          3HD2      LEU  31 -11.820 -11.207   7.487
  250    MD1  LEU  31           QD1      LEU  31 -10.266  -9.221   5.865
  251    MD2  LEU  31           QD2      LEU  31 -12.205 -10.383   7.948
  252    QB   LEU  31           QB       LEU  31  -9.507 -10.692   8.743
  253    QD   LEU  31           QQD      LEU  31 -11.236  -9.802   6.906
  254    H    ARG  32           H        ARG  32  -8.290  -9.095  10.880
  255    HA   ARG  32           HA       ARG  32  -9.257  -6.495  10.734
  256   1HB   ARG  32          2HB       ARG  32  -9.448  -7.649  12.834
  257   2HB   ARG  32          1HB       ARG  32  -7.699  -7.810  12.968
  258   1HG   ARG  32          2HG       ARG  32  -8.434  -6.041  14.449
  259   2HG   ARG  32          1HG       ARG  32  -7.533  -5.358  13.086
  260   1HD   ARG  32          2HD       ARG  32  -9.823  -4.983  11.987
  261   2HD   ARG  32          1HD       ARG  32 -10.492  -5.246  13.593
  262    HE   ARG  32           HE       ARG  32  -8.380  -3.264  13.139
  263   1HH1  ARG  32          1HH1      ARG  32 -11.618  -3.971  14.383
  264   2HH1  ARG  32          2HH1      ARG  32 -11.882  -2.411  14.994
  265   1HH2  ARG  32          1HH2      ARG  32  -8.706  -1.213  13.898
  266   2HH2  ARG  32          2HH2      ARG  32 -10.136  -0.711  14.710
  267    QB   ARG  32           QB       ARG  32  -8.574  -7.730  12.901
  268    QG   ARG  32           QG       ARG  32  -7.983  -5.700  13.767
  269    QD   ARG  32           QD       ARG  32 -10.157  -5.115  12.790
  270    QH1  ARG  32           QH1      ARG  32 -11.750  -3.191  14.689
  271    QH2  ARG  32           QH2      ARG  32  -9.421  -0.962  14.304
  272    H    ASP  33           H        ASP  33  -6.008  -7.695  10.578
  273    HA   ASP  33           HA       ASP  33  -4.665  -5.238  10.854
  274   1HB   ASP  33          2HB       ASP  33  -3.929  -7.860   9.607
  275   2HB   ASP  33          1HB       ASP  33  -2.860  -6.479   9.459
  276    QB   ASP  33           QB       ASP  33  -3.394  -7.169   9.533
  277    H    LEU  34           H        LEU  34  -6.192  -6.810   8.059
  278    HA   LEU  34           HA       LEU  34  -5.047  -4.802   6.265
  279   1HB   LEU  34          2HB       LEU  34  -7.365  -6.699   5.785
  280   2HB   LEU  34          1HB       LEU  34  -6.743  -5.595   4.585
  281    HG   LEU  34           HG       LEU  34  -5.956  -7.796   4.092
  282   1HD1  LEU  34          1HD1      LEU  34  -3.761  -6.126   5.277
  283   2HD1  LEU  34          3HD1      LEU  34  -3.517  -7.512   4.236
  284   3HD1  LEU  34          2HD1      LEU  34  -4.347  -6.080   3.609
  285   1HD2  LEU  34          3HD2      LEU  34  -6.252  -8.561   6.408
  286   2HD2  LEU  34          2HD2      LEU  34  -4.764  -9.180   5.625
  287   3HD2  LEU  34          1HD2      LEU  34  -4.709  -7.816   6.784
  288    MD1  LEU  34           QD1      LEU  34  -3.875  -6.573   4.374
  289    MD2  LEU  34           QD2      LEU  34  -5.242  -8.519   6.272
  290    QB   LEU  34           QB       LEU  34  -7.054  -6.147   5.185
  291    QD   LEU  34           QQD      LEU  34  -4.558  -7.546   5.323
  292    H    LEU  35           H        LEU  35  -7.900  -5.357   7.980
  293    HA   LEU  35           HA       LEU  35  -9.371  -3.146   6.989
  294   1HB   LEU  35          2HB       LEU  35  -9.671  -4.927   9.384
  295   2HB   LEU  35          1HB       LEU  35 -10.738  -3.557   9.166
  296    HG   LEU  35           HG       LEU  35 -11.562  -5.885   8.387
  297   1HD1  LEU  35          3HD1      LEU  35 -12.667  -3.744   7.788
  298   2HD1  LEU  35          2HD1      LEU  35 -11.552  -3.575   6.428
  299   3HD1  LEU  35          1HD1      LEU  35 -12.723  -4.894   6.448
  300   1HD2  LEU  35          2HD2      LEU  35  -9.456  -6.439   7.178
  301   2HD2  LEU  35          1HD2      LEU  35 -10.896  -6.570   6.120
  302   3HD2  LEU  35          3HD2      LEU  35  -9.804  -5.180   6.054
  303    MD1  LEU  35           QD1      LEU  35 -12.314  -4.071   6.888
  304    MD2  LEU  35           QD2      LEU  35 -10.052  -6.063   6.451
  305    QB   LEU  35           QB       LEU  35 -10.204  -4.242   9.275
  306    QD   LEU  35           QQD      LEU  35 -11.183  -5.067   6.669
  307    H    ASP  36           H        ASP  36  -7.072  -3.460   9.434
  308    HA   ASP  36           HA       ASP  36  -7.419  -0.719  10.384
  309   1HB   ASP  36          2HB       ASP  36  -5.165  -2.684  10.869
  310   2HB   ASP  36          1HB       ASP  36  -5.081  -1.012  11.412
  311    QB   ASP  36           QB       ASP  36  -5.123  -1.848  11.141
  312    H    ILE  37           H        ILE  37  -5.031  -2.350   8.394
  313    HA   ILE  37           HA       ILE  37  -3.430  -0.322   7.598
  314    HB   ILE  37           HB       ILE  37  -4.457  -2.713   6.087
  315   1HG1  ILE  37          2HG1      ILE  37  -1.631  -2.110   6.881
  316   2HG1  ILE  37          1HG1      ILE  37  -2.730  -2.819   8.043
  317   1HG2  ILE  37          2HG2      ILE  37  -2.452  -0.738   5.028
  318   2HG2  ILE  37          1HG2      ILE  37  -2.768  -2.332   4.334
  319   3HG2  ILE  37          3HG2      ILE  37  -4.038  -1.103   4.349
  320   1HD1  ILE  37          1HD1      ILE  37  -1.983  -3.974   5.363
  321   2HD1  ILE  37          3HD1      ILE  37  -1.336  -4.499   6.922
  322   3HD1  ILE  37          2HD1      ILE  37  -3.048  -4.731   6.549
  323    MG   ILE  37           QG2      ILE  37  -3.086  -1.391   4.570
  324    MD   ILE  37           QD1      ILE  37  -2.122  -4.401   6.278
  325    QG   ILE  37           QG1      ILE  37  -2.181  -2.464   7.462
  326    H    VAL  38           H        VAL  38  -6.410  -1.266   5.917
  327    HA   VAL  38           HA       VAL  38  -6.438   0.726   3.996
  328    HB   VAL  38           HB       VAL  38  -7.984  -1.184   3.848
  329   1HG1  VAL  38          1HG1      VAL  38  -8.495  -1.505   6.107
  330   2HG1  VAL  38          3HG1      VAL  38  -9.481  -0.040   6.156
  331   3HG1  VAL  38          2HG1      VAL  38  -9.967  -1.407   5.139
  332   1HG2  VAL  38          1HG2      VAL  38  -9.425   1.465   3.896
  333   2HG2  VAL  38          3HG2      VAL  38  -8.730   0.643   2.488
  334   3HG2  VAL  38          2HG2      VAL  38 -10.133  -0.022   3.307
  335    MG1  VAL  38           QG1      VAL  38  -9.314  -0.984   5.801
  336    MG2  VAL  38           QG2      VAL  38  -9.429   0.695   3.230
  337    QG   VAL  38           QQG      VAL  38  -9.372  -0.144   4.516
  338    H    GLU  39           H        GLU  39  -7.799   0.899   7.245
  339    HA   GLU  39           HA       GLU  39  -8.926   3.465   6.890
  340   1HB   GLU  39          2HB       GLU  39  -8.378   1.810   9.329
  341   2HB   GLU  39          1HB       GLU  39  -9.226   3.342   9.414
  342   1HG   GLU  39          2HG       GLU  39 -10.094   0.864   7.923
  343   2HG   GLU  39          1HG       GLU  39 -10.802   1.513   9.396
  344    QB   GLU  39           QB       GLU  39  -8.802   2.576   9.371
  345    QG   GLU  39           QG       GLU  39 -10.448   1.188   8.660
  346    H    THR  40           H        THR  40  -5.949   2.322   8.473
  347    HA   THR  40           HA       THR  40  -5.037   4.769   9.425
  348    HB   THR  40           HB       THR  40  -3.395   2.407   8.436
  349    HG1  THR  40          1HG       THR  40  -3.570   1.699  10.611
  350   1HG2  THR  40          2HG2      THR  40  -2.761   4.584  10.447
  351   2HG2  THR  40          1HG2      THR  40  -1.733   3.192  10.103
  352   3HG2  THR  40          3HG2      THR  40  -2.034   4.399   8.852
  353    MG   THR  40           QG2      THR  40  -2.176   4.058   9.801
  354    H    SER  41           H        SER  41  -4.691   3.249   6.252
  355    HA   SER  41           HA       SER  41  -2.791   4.997   5.191
  356   1HB   SER  41          2HB       SER  41  -4.895   3.393   3.763
  357   2HB   SER  41          1HB       SER  41  -3.450   4.102   3.030
  358    HG   SER  41           HG       SER  41  -3.673   1.967   4.833
  359    QB   SER  41           QB       SER  41  -4.173   3.747   3.396
  360    H    GLN  42           H        GLN  42  -6.333   5.001   4.741
  361    HA   GLN  42           HA       GLN  42  -6.563   7.281   3.144
  362   1HB   GLN  42          2HB       GLN  42  -8.398   6.326   5.307
  363   2HB   GLN  42          1HB       GLN  42  -8.805   7.554   4.132
  364   1HG   GLN  42          2HG       GLN  42  -8.984   6.100   2.418
  365   2HG   GLN  42          1HG       GLN  42  -7.788   5.013   3.130
  366   1HE2  GLN  42          1HE2      GLN  42  -9.093   4.936   5.728
  367   2HE2  GLN  42          2HE2      GLN  42 -10.411   3.867   5.464
  368    QB   GLN  42           QB       GLN  42  -8.601   6.940   4.720
  369    QG   GLN  42           QG       GLN  42  -8.386   5.557   2.774
  370    QE   GLN  42           QE2      GLN  42  -9.752   4.401   5.596
  371    H    ALA  43           H        ALA  43  -6.637   7.019   6.634
  372    HA   ALA  43           HA       ALA  43  -7.195   9.683   7.141
  373   1HB   ALA  43          3HB       ALA  43  -6.733   9.170   9.429
  374   2HB   ALA  43          1HB       ALA  43  -5.703   7.801   8.948
  375   3HB   ALA  43          2HB       ALA  43  -7.428   7.735   8.638
  376    MB   ALA  43           QB       ALA  43  -6.621   8.235   9.005
  377    H    HIS  44           H        HIS  44  -4.008   8.148   6.836
  378    HA   HIS  44           HA       HIS  44  -2.773  10.743   7.343
  379   1HB   HIS  44          2HB       HIS  44  -1.493   8.689   7.995
  380   2HB   HIS  44          1HB       HIS  44  -1.537   8.256   6.277
  381    HD1  HIS  44          1HD       HIS  44   0.407   8.924   4.868
  382    HD2  HIS  44          2HD       HIS  44   0.119  11.279   8.299
  383    HE1  HIS  44          1HE       HIS  44   2.447  10.396   4.877
  384    HE2  HIS  44          2HE       HIS  44   2.336  11.663   7.053
  385    QB   HIS  44           QB       HIS  44  -1.515   8.473   7.136
  386    H    ASN  45           H        ASN  45  -3.410   8.702   4.556
  387    HA   ASN  45           HA       ASN  45  -1.798  10.353   2.944
  388   1HB   ASN  45          2HB       ASN  45  -3.740   8.189   2.122
  389   2HB   ASN  45          1HB       ASN  45  -2.645   9.013   1.015
  390   1HD2  ASN  45          1HD2      ASN  45  -2.671   6.206   1.577
  391   2HD2  ASN  45          2HD2      ASN  45  -1.151   5.805   2.285
  392    QB   ASN  45           QB       ASN  45  -3.192   8.601   1.569
  393    QD   ASN  45           QD2      ASN  45  -1.911   6.005   1.931
  394    H    ALA  46           H        ALA  46  -5.237  10.241   3.540
  395    HA   ALA  46           HA       ALA  46  -5.918  12.159   1.553
  396   1HB   ALA  46          1HB       ALA  46  -7.987  12.473   2.867
  397   2HB   ALA  46          2HB       ALA  46  -7.263  11.540   4.183
  398   3HB   ALA  46          3HB       ALA  46  -7.622  10.758   2.642
  399    MB   ALA  46           QB       ALA  46  -7.624  11.590   3.231
  400    H    ARG  47           H        ARG  47  -4.773  12.311   4.848
  401    HA   ARG  47           HA       ARG  47  -5.209  15.092   5.187
  402   1HB   ARG  47          2HB       ARG  47  -4.874  13.142   6.914
  403   2HB   ARG  47          1HB       ARG  47  -3.171  13.498   6.634
  404   1HG   ARG  47          2HG       ARG  47  -5.149  15.519   7.701
  405   2HG   ARG  47          1HG       ARG  47  -4.116  14.524   8.716
  406   1HD   ARG  47          2HD       ARG  47  -2.147  15.532   7.547
  407   2HD   ARG  47          1HD       ARG  47  -3.265  16.623   6.724
  408    HE   ARG  47           HE       ARG  47  -3.200  16.486   9.641
  409   1HH1  ARG  47          1HH1      ARG  47  -2.810  18.462   6.677
  410   2HH1  ARG  47          2HH1      ARG  47  -2.602  19.902   7.536
  411   1HH2  ARG  47          1HH2      ARG  47  -2.898  18.514  10.779
  412   2HH2  ARG  47          2HH2      ARG  47  -2.655  19.946   9.899
  413    QB   ARG  47           QB       ARG  47  -4.022  13.320   6.774
  414    QG   ARG  47           QG       ARG  47  -4.633  15.022   8.208
  415    QD   ARG  47           QD       ARG  47  -2.706  16.078   7.136
  416    QH1  ARG  47           QH1      ARG  47  -2.706  19.182   7.107
  417    QH2  ARG  47           QH2      ARG  47  -2.776  19.230  10.339
  418    H    ALA  48           H        ALA  48  -2.335  13.087   4.514
  419    HA   ALA  48           HA       ALA  48  -0.747  15.423   4.316
  420   1HB   ALA  48          3HB       ALA  48   0.188  13.420   5.275
  421   2HB   ALA  48          1HB       ALA  48   1.119  13.937   3.869
  422   3HB   ALA  48          2HB       ALA  48   0.002  12.564   3.748
  423    MB   ALA  48           QB       ALA  48   0.437  13.307   4.297
  424    H    GLN  49           H        GLN  49  -2.863  14.078   2.207
  425    HA   GLN  49           HA       GLN  49  -3.472  14.574   0.098
  426   1HB   GLN  49          2HB       GLN  49  -1.090  16.396   0.181
  427   2HB   GLN  49          1HB       GLN  49  -2.251  16.374  -1.173
  428   1HG   GLN  49          2HG       GLN  49  -3.625  17.632   0.026
  429   2HG   GLN  49          1HG       GLN  49  -3.367  16.478   1.373
  430   1HE2  GLN  49          1HE2      GLN  49  -2.122  17.007   3.025
  431   2HE2  GLN  49          2HE2      GLN  49  -1.165  18.433   3.153
  432    QB   GLN  49           QB       GLN  49  -1.670  16.385  -0.496
  433    QG   GLN  49           QG       GLN  49  -3.496  17.055   0.700
  434    QE   GLN  49           QE2      GLN  49  -1.644  17.720   3.089
  435    H    LEU  50           H        LEU  50  -2.117  12.434   0.675
  436    HA   LEU  50           HA       LEU  50  -0.444  11.764  -1.614
  437   1HB   LEU  50          2HB       LEU  50  -0.949  10.539   1.050
  438   2HB   LEU  50          1HB       LEU  50  -0.408   9.512  -0.262
  439    HG   LEU  50           HG       LEU  50   1.561  10.820  -0.510
  440   1HD1  LEU  50          2HD1      LEU  50   0.772  12.989   0.132
  441   2HD1  LEU  50          1HD1      LEU  50   0.615  12.462   1.807
  442   3HD1  LEU  50          3HD1      LEU  50   2.209  12.559   1.057
  443   1HD2  LEU  50          2HD2      LEU  50   1.504   8.950   1.123
  444   2HD2  LEU  50          1HD2      LEU  50   2.728  10.196   1.467
  445   3HD2  LEU  50          3HD2      LEU  50   1.228  10.146   2.385
  446    MD1  LEU  50           QD1      LEU  50   1.199  12.670   0.998
  447    MD2  LEU  50           QD2      LEU  50   1.820   9.764   1.658
  448    QB   LEU  50           QB       LEU  50  -0.679  10.025   0.394
  449    QD   LEU  50           QQD      LEU  50   1.509  11.217   1.328
  450    H    THR  51           H        THR  51  -1.251  10.727  -3.292
  451    HA   THR  51           HA       THR  51  -3.873   9.489  -3.029
  452    HB   THR  51           HB       THR  51  -4.179  10.097  -5.427
  453    HG1  THR  51          1HG       THR  51  -2.161  10.308  -6.340
  454   1HG2  THR  51          1HG2      THR  51  -4.792  11.556  -3.594
  455   2HG2  THR  51          3HG2      THR  51  -3.193  12.315  -3.673
  456   3HG2  THR  51          2HG2      THR  51  -4.317  12.483  -5.045
  457    MG   THR  51           QG2      THR  51  -4.101  12.118  -4.104
  458    H    GLY  52           H        GLY  52  -4.200   7.441  -4.339
  459   1HA   GLY  52          1HA       GLY  52  -2.381   5.705  -3.215
  460   2HA   GLY  52          2HA       GLY  52  -1.843   5.947  -4.874
  461    QA   GLY  52           QA       GLY  52  -2.112   5.826  -4.045
  462    H    ALA  53           H        ALA  53  -2.131   3.676  -4.502
  463    HA   ALA  53           HA       ALA  53  -4.742   2.604  -4.461
  464   1HB   ALA  53          3HB       ALA  53  -4.756   3.182  -6.824
  465   2HB   ALA  53          1HB       ALA  53  -4.658   1.434  -6.657
  466   3HB   ALA  53          2HB       ALA  53  -3.216   2.377  -7.075
  467    MB   ALA  53           QB       ALA  53  -4.210   2.331  -6.852
  468    H    LEU  54           H        LEU  54  -4.740   0.470  -3.979
  469    HA   LEU  54           HA       LEU  54  -2.098  -0.669  -3.335
  470   1HB   LEU  54          2HB       LEU  54  -3.277   0.112  -1.319
  471   2HB   LEU  54          1HB       LEU  54  -4.689  -0.789  -1.773
  472    HG   LEU  54           HG       LEU  54  -3.397  -1.713   0.164
  473   1HD1  LEU  54          2HD1      LEU  54  -4.916  -3.203  -1.026
  474   2HD1  LEU  54          1HD1      LEU  54  -3.625  -3.615  -2.148
  475   3HD1  LEU  54          3HD1      LEU  54  -3.483  -4.049  -0.446
  476   1HD2  LEU  54          2HD2      LEU  54  -1.368  -2.359  -1.940
  477   2HD2  LEU  54          1HD2      LEU  54  -1.228  -1.237  -0.575
  478   3HD2  LEU  54          3HD2      LEU  54  -1.365  -2.967  -0.278
  479    MD1  LEU  54           QD1      LEU  54  -4.008  -3.622  -1.207
  480    MD2  LEU  54           QD2      LEU  54  -1.320  -2.188  -0.931
  481    QB   LEU  54           QB       LEU  54  -3.983  -0.339  -1.546
  482    QD   LEU  54           QQD      LEU  54  -2.664  -2.905  -1.069
  483    H    PHE  55           H        PHE  55  -1.754  -2.510  -4.377
  484    HA   PHE  55           HA       PHE  55  -4.065  -4.096  -5.204
  485   1HB   PHE  55          2HB       PHE  55  -1.349  -3.779  -6.491
  486   2HB   PHE  55          1HB       PHE  55  -2.465  -5.071  -6.920
  487    HD1  PHE  55          1HD       PHE  55  -4.417  -4.632  -8.235
  488    HD2  PHE  55          2HD       PHE  55  -1.843  -1.444  -7.072
  489    HE1  PHE  55          1HE       PHE  55  -5.504  -3.159  -9.880
  490    HE2  PHE  55          2HE       PHE  55  -2.936   0.033  -8.718
  491    HZ   PHE  55           HZ       PHE  55  -4.764  -0.824 -10.117
  492    QB   PHE  55           QB       PHE  55  -1.907  -4.425  -6.706
  493    QD   PHE  55           QD       PHE  55  -3.130  -3.038  -7.654
  494    QE   PHE  55           QE       PHE  55  -4.220  -1.563  -9.299
  495    QR   PHE  55           QR       PHE  55  -3.893  -2.005  -8.805
  496    H    TYR  56           H        TYR  56  -4.324  -5.623  -3.776
  497    HA   TYR  56           HA       TYR  56  -1.995  -7.220  -2.995
  498   1HB   TYR  56          2HB       TYR  56  -2.952  -5.960  -1.034
  499   2HB   TYR  56          1HB       TYR  56  -4.521  -6.643  -1.385
  500    HD1  TYR  56          1HD       TYR  56  -3.211  -9.568  -1.883
  501    HD2  TYR  56          2HD       TYR  56  -3.053  -6.716   1.271
  502    HE1  TYR  56          1HE       TYR  56  -2.826 -11.378  -0.291
  503    HE2  TYR  56          2HE       TYR  56  -2.635  -8.559   2.878
  504    HH   TYR  56           HH       TYR  56  -3.187 -11.025   2.975
  505    QB   TYR  56           QB       TYR  56  -3.736  -6.301  -1.210
  506    QD   TYR  56           QD       TYR  56  -3.132  -8.142  -0.306
  507    QE   TYR  56           QE       TYR  56  -2.731  -9.968   1.294
  508    QR   TYR  56           QR       TYR  56  -2.931  -9.055   0.494
  509    H    SER  57           H        SER  57  -2.243  -9.148  -4.024
  510    HA   SER  57           HA       SER  57  -4.834 -10.364  -4.012
  511   1HB   SER  57          2HB       SER  57  -4.672  -8.897  -6.122
  512   2HB   SER  57          1HB       SER  57  -3.450 -10.042  -6.678
  513    HG   SER  57           HG       SER  57  -4.940 -11.447  -7.083
  514    QB   SER  57           QB       SER  57  -4.061  -9.470  -6.400
  515    H    GLN  58           H        GLN  58  -4.292 -12.127  -3.059
  516    HA   GLN  58           HA       GLN  58  -3.465 -14.129  -2.564
  517   1HB   GLN  58          2HB       GLN  58  -3.999 -14.616  -4.942
  518   2HB   GLN  58          1HB       GLN  58  -2.376 -14.135  -5.391
  519   1HG   GLN  58          2HG       GLN  58  -2.482 -16.520  -5.342
  520   2HG   GLN  58          1HG       GLN  58  -1.492 -15.978  -3.989
  521   1HE2  GLN  58          1HE2      GLN  58  -4.464 -17.401  -4.957
  522   2HE2  GLN  58          2HE2      GLN  58  -4.978 -17.946  -3.405
  523    QB   GLN  58           QB       GLN  58  -3.188 -14.375  -5.166
  524    QG   GLN  58           QG       GLN  58  -1.987 -16.249  -4.666
  525    QE   GLN  58           QE2      GLN  58  -4.721 -17.673  -4.181
  526    H    GLY  59           H        GLY  59  -2.120 -12.970  -1.051
  527   1HA   GLY  59          1HA       GLY  59   0.565 -13.958  -1.194
  528   2HA   GLY  59          2HA       GLY  59  -0.174 -13.119   0.152
  529    QA   GLY  59           QA       GLY  59   0.196 -13.539  -0.521
  530    H    VAL  60           H        VAL  60   0.293 -11.924  -3.157
  531    HA   VAL  60           HA       VAL  60   2.521 -10.376  -2.227
  532    HB   VAL  60           HB       VAL  60   2.895  -9.639  -4.508
  533   1HG1  VAL  60          2HG1      VAL  60   3.785 -11.791  -3.880
  534   2HG1  VAL  60          1HG1      VAL  60   2.295 -12.580  -4.380
  535   3HG1  VAL  60          3HG1      VAL  60   3.318 -11.794  -5.578
  536   1HG2  VAL  60          3HG2      VAL  60   0.324 -11.083  -5.215
  537   2HG2  VAL  60          2HG2      VAL  60   0.603  -9.346  -5.295
  538   3HG2  VAL  60          1HG2      VAL  60   1.477 -10.426  -6.379
  539    MG1  VAL  60           QG1      VAL  60   3.133 -12.055  -4.613
  540    MG2  VAL  60           QG2      VAL  60   0.801 -10.285  -5.630
  541    QG   VAL  60           QQG      VAL  60   1.967 -11.170  -5.121
  542    H    PHE  61           H        PHE  61   2.561  -8.432  -1.522
  543    HA   PHE  61           HA       PHE  61   0.244  -6.639  -1.740
  544   1HB   PHE  61          2HB       PHE  61   2.495  -7.060  -0.023
  545   2HB   PHE  61          1HB       PHE  61   2.447  -5.401  -0.579
  546    HD1  PHE  61          1HD       PHE  61   1.954  -7.151   2.080
  547    HD2  PHE  61          2HD       PHE  61  -0.371  -4.758  -0.527
  548    HE1  PHE  61          1HE       PHE  61   0.510  -6.630   3.935
  549    HE2  PHE  61          2HE       PHE  61  -1.895  -4.193   1.366
  550    HZ   PHE  61           HZ       PHE  61  -1.417  -5.102   3.591
  551    QB   PHE  61           QB       PHE  61   2.471  -6.231  -0.301
  552    QD   PHE  61           QD       PHE  61   0.791  -5.955   0.776
  553    QE   PHE  61           QE       PHE  61  -0.692  -5.411   2.650
  554    QR   PHE  61           QR       PHE  61  -0.244  -5.567   2.089
  555    H    PHE  62           H        PHE  62   0.282  -4.884  -3.167
  556    HA   PHE  62           HA       PHE  62   2.857  -3.734  -3.843
  557   1HB   PHE  62          2HB       PHE  62   2.161  -4.962  -5.867
  558   2HB   PHE  62          1HB       PHE  62   0.592  -4.153  -5.825
  559    HD1  PHE  62          1HD       PHE  62   4.223  -3.598  -6.290
  560    HD2  PHE  62          2HD       PHE  62   0.302  -2.021  -6.824
  561    HE1  PHE  62          1HE       PHE  62   5.142  -1.767  -7.659
  562    HE2  PHE  62          2HE       PHE  62   1.220  -0.192  -8.190
  563    HZ   PHE  62           HZ       PHE  62   3.637  -0.063  -8.609
  564    QB   PHE  62           QB       PHE  62   1.377  -4.558  -5.846
  565    QD   PHE  62           QD       PHE  62   2.263  -2.809  -6.557
  566    QE   PHE  62           QE       PHE  62   3.181  -0.979  -7.924
  567    QR   PHE  62           QR       PHE  62   2.905  -1.528  -7.514
  568    H    GLN  63           H        GLN  63   2.864  -1.672  -3.215
  569    HA   GLN  63           HA       GLN  63   0.354  -0.157  -3.192
  570   1HB   GLN  63          2HB       GLN  63   0.609  -1.071  -0.934
  571   2HB   GLN  63          1HB       GLN  63   2.243  -0.486  -0.877
  572   1HG   GLN  63          2HG       GLN  63   0.806   0.934   0.476
  573   2HG   GLN  63          1HG       GLN  63   1.478   1.832  -0.878
  574   1HE2  GLN  63          1HE2      GLN  63   0.080   2.697  -2.392
  575   2HE2  GLN  63          2HE2      GLN  63  -1.623   2.607  -2.220
  576    QB   GLN  63           QB       GLN  63   1.426  -0.778  -0.906
  577    QG   GLN  63           QG       GLN  63   1.142   1.383  -0.201
  578    QE   GLN  63           QE2      GLN  63  -0.771   2.652  -2.306
  579    H    TRP  64           H        TRP  64   0.731   1.797  -4.097
  580    HA   TRP  64           HA       TRP  64   3.281   2.914  -3.442
  581   1HB   TRP  64          2HB       TRP  64   3.906   3.495  -5.601
  582   2HB   TRP  64          1HB       TRP  64   3.160   1.880  -5.816
  583    HD1  TRP  64           HD       TRP  64   3.430   5.209  -7.182
  584    HE1  TRP  64          1HE       TRP  64   1.636   5.667  -8.892
  585    HE3  TRP  64          3HE       TRP  64   0.351   1.318  -6.082
  586    HZ2  TRP  64          2HZ       TRP  64  -0.858   4.491  -9.712
  587    HZ3  TRP  64          3HZ       TRP  64  -1.734   1.080  -7.339
  588    HH2  TRP  64           HH       TRP  64  -2.304   2.624  -9.130
  589    QB   TRP  64           QB       TRP  64   3.533   2.688  -5.709
  590    H    LEU  65           H        LEU  65   3.195   5.361  -3.791
  591    HA   LEU  65           HA       LEU  65   0.524   6.433  -3.857
  592   1HB   LEU  65          2HB       LEU  65   0.911   7.603  -1.635
  593   2HB   LEU  65          1HB       LEU  65   0.484   5.918  -1.570
  594    HG   LEU  65           HG       LEU  65   3.116   5.656  -1.506
  595   1HD1  LEU  65          1HD1      LEU  65   2.676   8.355  -0.309
  596   2HD1  LEU  65          3HD1      LEU  65   4.089   7.343  -0.027
  597   3HD1  LEU  65          2HD1      LEU  65   3.719   7.912  -1.662
  598   1HD2  LEU  65          3HD2      LEU  65   1.572   4.722   0.098
  599   2HD2  LEU  65          2HD2      LEU  65   2.968   5.408   0.894
  600   3HD2  LEU  65          1HD2      LEU  65   1.420   6.284   0.911
  601    MD1  LEU  65           QD1      LEU  65   3.494   7.870  -0.666
  602    MD2  LEU  65           QD2      LEU  65   1.986   5.471   0.634
  603    QB   LEU  65           QB       LEU  65   0.697   6.760  -1.602
  604    QD   LEU  65           QQD      LEU  65   2.740   6.671  -0.016
  605    H    GLU  66           H        GLU  66   0.399   8.489  -4.367
  606    HA   GLU  66           HA       GLU  66   2.801   9.837  -5.372
  607   1HB   GLU  66          2HB       GLU  66  -0.103  10.694  -5.559
  608   2HB   GLU  66          1HB       GLU  66   1.255  11.220  -6.530
  609   1HG   GLU  66          2HG       GLU  66   1.282   9.169  -7.736
  610   2HG   GLU  66          1HG       GLU  66   0.059   8.465  -6.666
  611    QB   GLU  66           QB       GLU  66   0.576  10.957  -6.044
  612    QG   GLU  66           QG       GLU  66   0.670   8.817  -7.201
  613    H    GLY  67           H        GLY  67   3.635  11.438  -4.000
  614   1HA   GLY  67          1HA       GLY  67   2.628  12.130  -1.569
  615   2HA   GLY  67          2HA       GLY  67   1.802  13.173  -2.734
  616    QA   GLY  67           QA       GLY  67   2.215  12.652  -2.151
  617    H    HIS  68           H        HIS  68   3.169  14.727  -1.211
  618    HA   HIS  68           HA       HIS  68   5.510  15.614  -2.580
  619   1HB   HIS  68          2HB       HIS  68   4.224  17.261  -1.372
  620   2HB   HIS  68          1HB       HIS  68   4.280  16.366   0.107
  621    HD1  HIS  68          1HD       HIS  68   6.273  16.714   1.647
  622    HD2  HIS  68          2HD       HIS  68   6.328  18.586  -1.960
  623    HE1  HIS  68          1HE       HIS  68   8.269  18.139   1.830
  624    HE2  HIS  68          2HE       HIS  68   8.076  19.645  -0.206
  625    QB   HIS  68           QB       HIS  68   4.252  16.813  -0.632
  626    HA   PRO  69           HA       PRO  69   8.583  12.575  -1.500
  627   1HB   PRO  69          2HB       PRO  69  10.468  14.493  -0.505
  628   2HB   PRO  69          1HB       PRO  69  10.471  13.647  -2.051
  629   1HG   PRO  69          2HG       PRO  69   9.452  16.343  -1.376
  630   2HG   PRO  69          1HG       PRO  69  10.031  15.715  -2.930
  631   1HD   PRO  69          2HD       PRO  69   7.457  16.187  -2.534
  632   2HD   PRO  69          1HD       PRO  69   7.970  14.734  -3.427
  633    QB   PRO  69           QB       PRO  69  10.470  14.070  -1.278
  634    QG   PRO  69           QG       PRO  69   9.742  16.029  -2.153
  635    QD   PRO  69           QD       PRO  69   7.713  15.461  -2.981
  636    H    ALA  70           H        ALA  70   8.384  15.080   1.003
  637    HA   ALA  70           HA       ALA  70   9.435  13.195   2.867
  638   1HB   ALA  70          1HB       ALA  70  10.051  15.519   3.070
  639   2HB   ALA  70          2HB       ALA  70   9.225  14.902   4.520
  640   3HB   ALA  70          3HB       ALA  70   8.342  15.906   3.339
  641    MB   ALA  70           QB       ALA  70   9.206  15.442   3.643
  642    H    ALA  71           H        ALA  71   6.364  14.086   1.971
  643    HA   ALA  71           HA       ALA  71   5.043  13.170   4.288
  644   1HB   ALA  71          2HB       ALA  71   4.215  13.030   1.485
  645   2HB   ALA  71          1HB       ALA  71   3.097  13.054   2.853
  646   3HB   ALA  71          3HB       ALA  71   4.048  14.525   2.435
  647    MB   ALA  71           QB       ALA  71   3.787  13.536   2.257
  648    H    VAL  72           H        VAL  72   6.124  11.982   1.280
  649    HA   VAL  72           HA       VAL  72   5.182   9.350   1.293
  650    HB   VAL  72           HB       VAL  72   7.785  10.239   0.060
  651   1HG1  VAL  72          3HG1      VAL  72   7.195   7.887  -0.040
  652   2HG1  VAL  72          2HG1      VAL  72   5.663   8.415  -0.774
  653   3HG1  VAL  72          1HG1      VAL  72   7.188   8.671  -1.653
  654   1HG2  VAL  72          3HG2      VAL  72   5.027  10.701  -0.989
  655   2HG2  VAL  72          2HG2      VAL  72   6.279  11.887  -0.470
  656   3HG2  VAL  72          1HG2      VAL  72   6.548  10.879  -1.911
  657    MG1  VAL  72           QG1      VAL  72   6.682   8.324  -0.822
  658    MG2  VAL  72           QG2      VAL  72   5.951  11.156  -1.123
  659    QG   VAL  72           QQG      VAL  72   6.316   9.740  -0.973
  660    H    ALA  73           H        ALA  73   8.263  10.823   2.210
  661    HA   ALA  73           HA       ALA  73   9.314   8.421   3.114
  662   1HB   ALA  73          2HB       ALA  73  10.118  11.186   3.812
  663   2HB   ALA  73          1HB       ALA  73  10.966   9.614   4.183
  664   3HB   ALA  73          3HB       ALA  73  10.758  10.133   2.502
  665    MB   ALA  73           QB       ALA  73  10.614  10.311   3.499
  666    H    GLU  74           H        GLU  74   7.646  10.991   4.801
  667    HA   GLU  74           HA       GLU  74   7.892  10.008   7.446
  668   1HB   GLU  74          2HB       GLU  74   7.007  12.243   7.017
  669   2HB   GLU  74          1HB       GLU  74   5.660  11.575   6.113
  670   1HG   GLU  74          2HG       GLU  74   4.913  10.459   8.220
  671   2HG   GLU  74          1HG       GLU  74   6.161  11.364   9.069
  672    QB   GLU  74           QB       GLU  74   6.333  11.909   6.565
  673    QG   GLU  74           QG       GLU  74   5.537  10.911   8.645
  674    H    VAL  75           H        VAL  75   5.704   9.199   4.814
  675    HA   VAL  75           HA       VAL  75   4.398   7.402   6.517
  676    HB   VAL  75           HB       VAL  75   3.603   8.481   4.198
  677   1HG1  VAL  75          1HG1      VAL  75   5.101   7.368   2.725
  678   2HG1  VAL  75          3HG1      VAL  75   4.516   5.794   3.263
  679   3HG1  VAL  75          2HG1      VAL  75   3.439   6.886   2.389
  680   1HG2  VAL  75          2HG2      VAL  75   2.721   5.885   5.360
  681   2HG2  VAL  75          1HG2      VAL  75   2.100   7.494   5.670
  682   3HG2  VAL  75          3HG2      VAL  75   1.816   6.741   4.096
  683    MG1  VAL  75           QG1      VAL  75   4.352   6.683   2.792
  684    MG2  VAL  75           QG2      VAL  75   2.212   6.707   5.042
  685    QG   VAL  75           QQG      VAL  75   3.282   6.695   3.917
  686    H    MET  76           H        MET  76   7.079   7.079   4.070
  687    HA   MET  76           HA       MET  76   7.519   4.408   4.235
  688   1HB   MET  76          2HB       MET  76   9.608   6.566   4.258
  689   2HB   MET  76          1HB       MET  76   9.942   4.930   3.829
  690   1HG   MET  76          2HG       MET  76   7.995   6.587   2.350
  691   2HG   MET  76          1HG       MET  76   9.707   6.616   1.922
  692   1HE   MET  76          1HE       MET  76   6.437   4.798   2.178
  693   2HE   MET  76          3HE       MET  76   6.590   3.341   1.181
  694   3HE   MET  76          2HE       MET  76   7.362   3.378   2.762
  695    QB   MET  76           QB       MET  76   9.775   5.748   4.043
  696    QG   MET  76           QG       MET  76   8.851   6.602   2.136
  697    ME   MET  76           QE       MET  76   6.797   3.839   2.040
  698    H    SER  77           H        SER  77   8.886   6.859   6.430
  699    HA   SER  77           HA       SER  77  10.350   5.111   8.017
  700   1HB   SER  77          2HB       SER  77  10.207   6.974   9.720
  701   2HB   SER  77          1HB       SER  77  10.672   7.496   8.097
  702    HG   SER  77           HG       SER  77   9.221   8.826   8.400
  703    QB   SER  77           QB       SER  77  10.439   7.235   8.908
  704    H    HIS  78           H        HIS  78   7.035   6.054   8.306
  705    HA   HIS  78           HA       HIS  78   6.724   4.466  10.709
  706   1HB   HIS  78          2HB       HIS  78   4.670   5.943   9.067
  707   2HB   HIS  78          1HB       HIS  78   4.252   4.981  10.486
  708    HD1  HIS  78          1HD       HIS  78   6.026   8.139   9.483
  709    HD2  HIS  78          2HD       HIS  78   4.887   6.145  12.944
  710    HE1  HIS  78          1HE       HIS  78   6.376   9.780  11.349
  711    HE2  HIS  78          2HE       HIS  78   6.082   8.390  13.402
  712    QB   HIS  78           QB       HIS  78   4.461   5.462   9.777
  713    H    ILE  79           H        ILE  79   6.217   3.866   7.327
  714    HA   ILE  79           HA       ILE  79   4.682   1.445   7.907
  715    HB   ILE  79           HB       ILE  79   5.612   2.289   5.134
  716   1HG1  ILE  79          2HG1      ILE  79   3.011   2.986   6.498
  717   2HG1  ILE  79          1HG1      ILE  79   4.360   4.058   6.086
  718   1HG2  ILE  79          3HG2      ILE  79   4.798   0.014   5.495
  719   2HG2  ILE  79          2HG2      ILE  79   3.278   0.674   6.085
  720   3HG2  ILE  79          1HG2      ILE  79   3.758   0.945   4.411
  721   1HD1  ILE  79          3HD1      ILE  79   2.840   2.481   4.032
  722   2HD1  ILE  79          2HD1      ILE  79   2.456   4.154   4.425
  723   3HD1  ILE  79          1HD1      ILE  79   4.047   3.731   3.757
  724    MG   ILE  79           QG2      ILE  79   3.944   0.544   5.331
  725    MD   ILE  79           QD1      ILE  79   3.115   3.455   4.072
  726    QG   ILE  79           QG1      ILE  79   3.686   3.522   6.292
  727    H    GLN  80           H        GLN  80   7.991   2.310   7.109
  728    HA   GLN  80           HA       GLN  80   8.709  -0.300   6.181
  729   1HB   GLN  80          2HB       GLN  80  10.542   1.903   7.172
  730   2HB   GLN  80          1HB       GLN  80  11.066   0.440   6.356
  731   1HG   GLN  80          2HG       GLN  80   9.505   2.751   5.187
  732   2HG   GLN  80          1HG       GLN  80  11.080   2.156   4.675
  733   1HE2  GLN  80          1HE2      GLN  80   7.748   1.924   4.570
  734   2HE2  GLN  80          2HE2      GLN  80   7.657   0.779   3.276
  735    QB   GLN  80           QB       GLN  80  10.804   1.171   6.764
  736    QG   GLN  80           QG       GLN  80  10.292   2.453   4.931
  737    QE   GLN  80           QE2      GLN  80   7.703   1.351   3.923
  738    H    ARG  81           H        ARG  81   8.451   1.147   9.243
  739    HA   ARG  81           HA       ARG  81   9.950  -0.932  10.587
  740   1HB   ARG  81          2HB       ARG  81   8.173   1.217  11.779
  741   2HB   ARG  81          1HB       ARG  81   9.344   0.206  12.623
  742   1HG   ARG  81          2HG       ARG  81  11.127   1.153  11.424
  743   2HG   ARG  81          1HG       ARG  81  10.033   2.189  10.492
  744   1HD   ARG  81          2HD       ARG  81  10.952   3.531  12.211
  745   2HD   ARG  81          1HD       ARG  81   9.307   3.147  12.718
  746    HE   ARG  81           HE       ARG  81  10.675   1.223  13.920
  747   1HH1  ARG  81          1HH1      ARG  81  11.248   4.717  13.789
  748   2HH1  ARG  81          2HH1      ARG  81  12.138   4.773  15.233
  749   1HH2  ARG  81          1HH2      ARG  81  11.903   1.303  15.919
  750   2HH2  ARG  81          2HH2      ARG  81  12.491   2.806  16.489
  751    QB   ARG  81           QB       ARG  81   8.759   0.711  12.201
  752    QG   ARG  81           QG       ARG  81  10.580   1.671  10.958
  753    QD   ARG  81           QD       ARG  81  10.130   3.339  12.465
  754    QH1  ARG  81           QH1      ARG  81  11.693   4.745  14.511
  755    QH2  ARG  81           QH2      ARG  81  12.197   2.054  16.204
  756    H    ASP  82           H        ASP  82   7.545  -1.599   8.939
  757    HA   ASP  82           HA       ASP  82   5.622  -2.451  10.923
  758   1HB   ASP  82          2HB       ASP  82   4.935  -1.582   8.529
  759   2HB   ASP  82          1HB       ASP  82   5.583  -3.098   8.022
  760    QB   ASP  82           QB       ASP  82   5.259  -2.340   8.276
  761    H    ARG  83           H        ARG  83   5.115  -4.892   9.011
  762    HA   ARG  83           HA       ARG  83   6.841  -6.947   9.729
  763   1HB   ARG  83          2HB       ARG  83   5.615  -7.666  11.880
  764   2HB   ARG  83          1HB       ARG  83   6.738  -6.311  12.007
  765   1HG   ARG  83          2HG       ARG  83   4.660  -4.834  11.624
  766   2HG   ARG  83          1HG       ARG  83   3.735  -6.270  12.051
  767   1HD   ARG  83          2HD       ARG  83   4.810  -6.375  14.201
  768   2HD   ARG  83          1HD       ARG  83   5.925  -5.104  13.739
  769    HE   ARG  83           HE       ARG  83   3.547  -3.888  13.443
  770   1HH1  ARG  83          1HH1      ARG  83   4.786  -5.811  16.131
  771   2HH1  ARG  83          2HH1      ARG  83   4.113  -4.819  17.329
  772   1HH2  ARG  83          1HH2      ARG  83   2.607  -2.540  15.089
  773   2HH2  ARG  83          2HH2      ARG  83   2.844  -2.914  16.732
  774    QB   ARG  83           QB       ARG  83   6.176  -6.989  11.944
  775    QG   ARG  83           QG       ARG  83   4.197  -5.552  11.837
  776    QD   ARG  83           QD       ARG  83   5.367  -5.740  13.970
  777    QH1  ARG  83           QH1      ARG  83   4.449  -5.315  16.730
  778    QH2  ARG  83           QH2      ARG  83   2.726  -2.727  15.911
  779    H    ARG  84           H        ARG  84   3.530  -5.745   9.505
  780    HA   ARG  84           HA       ARG  84   2.155  -8.211   9.253
  781   1HB   ARG  84          2HB       ARG  84   1.272  -5.538   8.162
  782   2HB   ARG  84          1HB       ARG  84   0.256  -6.827   8.775
  783   1HG   ARG  84          2HG       ARG  84   1.224  -6.370  11.049
  784   2HG   ARG  84          1HG       ARG  84   2.002  -4.958  10.345
  785   1HD   ARG  84          2HD       ARG  84  -0.314  -4.313   9.516
  786   2HD   ARG  84          1HD       ARG  84  -0.905  -5.532  10.641
  787    HE   ARG  84           HE       ARG  84   0.759  -3.270  11.469
  788   1HH1  ARG  84          1HH1      ARG  84  -1.904  -5.439  12.217
  789   2HH1  ARG  84          2HH1      ARG  84  -2.622  -4.410  13.389
  790   1HH2  ARG  84          1HH2      ARG  84  -0.210  -1.857  13.134
  791   2HH2  ARG  84          2HH2      ARG  84  -1.640  -2.344  13.905
  792    QB   ARG  84           QB       ARG  84   0.764  -6.183   8.469
  793    QG   ARG  84           QG       ARG  84   1.613  -5.664  10.697
  794    QD   ARG  84           QD       ARG  84  -0.609  -4.922  10.078
  795    QH1  ARG  84           QH1      ARG  84  -2.263  -4.924  12.803
  796    QH2  ARG  84           QH2      ARG  84  -0.925  -2.100  13.520
  797    H    HIS  85           H        HIS  85   3.283  -5.805   7.201
  798    HA   HIS  85           HA       HIS  85   2.967  -7.493   4.884
  799   1HB   HIS  85          2HB       HIS  85   3.547  -5.637   3.396
  800   2HB   HIS  85          1HB       HIS  85   2.147  -5.267   4.341
  801    HD1  HIS  85          1HD       HIS  85   3.273  -2.955   3.029
  802    HD2  HIS  85          2HD       HIS  85   4.937  -4.133   6.654
  803    HE1  HIS  85          1HE       HIS  85   4.605  -1.080   3.921
  804    HE2  HIS  85          2HE       HIS  85   5.322  -1.759   6.164
  805    QB   HIS  85           QB       HIS  85   2.847  -5.452   3.868
  806    H    SER  86           H        SER  86   4.276  -8.725   4.655
  807    HA   SER  86           HA       SER  86   6.365  -9.202   6.119
  808   1HB   SER  86          2HB       SER  86   5.239 -10.145   3.871
  809   2HB   SER  86          1HB       SER  86   6.957 -10.678   3.998
  810    HG   SER  86           HG       SER  86   5.758 -12.129   5.124
  811    QB   SER  86           QB       SER  86   6.098 -10.412   3.934
  812    H    ASN  87           H        ASN  87   6.826  -6.983   3.824
  813    HA   ASN  87           HA       ASN  87   9.696  -7.223   4.046
  814   1HB   ASN  87          2HB       ASN  87   8.552  -7.342   1.263
  815   2HB   ASN  87          1HB       ASN  87  10.249  -7.081   1.618
  816   1HD2  ASN  87          1HD2      ASN  87  11.473  -8.784   2.339
  817   2HD2  ASN  87          2HD2      ASN  87  10.926 -10.417   2.225
  818    QB   ASN  87           QB       ASN  87   9.401  -7.211   1.441
  819    QD   ASN  87           QD2      ASN  87  11.199  -9.601   2.282
  820    H    VAL  88           H        VAL  88   7.357  -5.557   2.588
  821    HA   VAL  88           HA       VAL  88   7.394  -3.807   1.370
  822    HB   VAL  88           HB       VAL  88   6.384  -3.201   3.297
  823   1HG1  VAL  88          3HG1      VAL  88   7.898  -3.501   4.896
  824   2HG1  VAL  88          2HG1      VAL  88   8.872  -2.035   4.368
  825   3HG1  VAL  88          1HG1      VAL  88   7.190  -1.865   4.964
  826   1HG2  VAL  88          3HG2      VAL  88   6.446  -1.583   1.565
  827   2HG2  VAL  88          2HG2      VAL  88   6.442  -0.777   3.128
  828   3HG2  VAL  88          1HG2      VAL  88   7.956  -0.935   2.193
  829    MG1  VAL  88           QG1      VAL  88   7.987  -2.467   4.743
  830    MG2  VAL  88           QG2      VAL  88   6.948  -1.098   2.295
  831    QG   VAL  88           QQG      VAL  88   7.467  -1.783   3.519
  832    H    GLU  89           H        GLU  89   8.759  -4.363   0.071
  833    HA   GLU  89           HA       GLU  89  11.274  -2.933   0.054
  834   1HB   GLU  89          2HB       GLU  89  10.020  -4.973  -1.699
  835   2HB   GLU  89          1HB       GLU  89  11.553  -4.223  -2.105
  836   1HG   GLU  89          2HG       GLU  89  12.616  -5.140  -0.276
  837   2HG   GLU  89          1HG       GLU  89  11.087  -5.566   0.494
  838    QB   GLU  89           QB       GLU  89  10.787  -4.598  -1.902
  839    QG   GLU  89           QG       GLU  89  11.851  -5.353   0.109
  840    H    ILE  90           H        ILE  90  10.256  -0.953  -0.051
  841    HA   ILE  90           HA       ILE  90   8.859   0.256  -2.178
  842    HB   ILE  90           HB       ILE  90  11.429   1.490  -1.254
  843   1HG1  ILE  90          2HG1      ILE  90  10.614   0.591   0.815
  844   2HG1  ILE  90          1HG1      ILE  90  10.404   2.337   0.803
  845   1HG2  ILE  90          2HG2      ILE  90   8.652   2.631  -1.578
  846   2HG2  ILE  90          1HG2      ILE  90  10.059   3.555  -1.150
  847   3HG2  ILE  90          3HG2      ILE  90   9.979   2.816  -2.753
  848   1HD1  ILE  90          3HD1      ILE  90   8.073   2.023   0.201
  849   2HD1  ILE  90          2HD1      ILE  90   8.318   0.275   0.313
  850   3HD1  ILE  90          1HD1      ILE  90   8.491   1.285   1.754
  851    MG   ILE  90           QG2      ILE  90   9.563   3.001  -1.827
  852    MD   ILE  90           QD1      ILE  90   8.294   1.194   0.756
  853    QG   ILE  90           QG1      ILE  90  10.509   1.464   0.809
  854    H    LEU  91           H        LEU  91  12.167   0.244  -1.976
  855    HA   LEU  91           HA       LEU  91  13.882   0.078  -3.420
  856   1HB   LEU  91          2HB       LEU  91  12.039  -1.785  -4.915
  857   2HB   LEU  91          1HB       LEU  91  13.755  -1.624  -5.215
  858    HG   LEU  91           HG       LEU  91  12.506  -2.645  -2.643
  859   1HD1  LEU  91          1HD1      LEU  91  14.000  -4.095  -4.826
  860   2HD1  LEU  91          3HD1      LEU  91  13.457  -4.793  -3.304
  861   3HD1  LEU  91          2HD1      LEU  91  12.275  -4.219  -4.481
  862   1HD2  LEU  91          2HD2      LEU  91  15.408  -2.435  -3.458
  863   2HD2  LEU  91          1HD2      LEU  91  14.612  -1.486  -2.205
  864   3HD2  LEU  91          3HD2      LEU  91  14.803  -3.224  -2.007
  865    MD1  LEU  91           QD1      LEU  91  13.244  -4.369  -4.204
  866    MD2  LEU  91           QD2      LEU  91  14.941  -2.382  -2.557
  867    QB   LEU  91           QB       LEU  91  12.897  -1.704  -5.065
  868    QD   LEU  91           QQD      LEU  91  14.093  -3.375  -3.380
  869    H    ALA  92           H        ALA  92  10.920   1.398  -4.514
  870    HA   ALA  92           HA       ALA  92  12.456   2.915  -6.482
  871   1HB   ALA  92          1HB       ALA  92  11.227   1.230  -7.734
  872   2HB   ALA  92          2HB       ALA  92  10.557   2.836  -8.048
  873   3HB   ALA  92          3HB       ALA  92   9.729   1.730  -6.952
  874    MB   ALA  92           QB       ALA  92  10.504   1.932  -7.578
  875    H    GLU  93           H        GLU  93  12.437   4.875  -5.725
  876    HA   GLU  93           HA       GLU  93   9.887   6.082  -4.950
  877   1HB   GLU  93          2HB       GLU  93  12.671   6.792  -3.862
  878   2HB   GLU  93          1HB       GLU  93  11.131   7.528  -3.438
  879   1HG   GLU  93          2HG       GLU  93  10.393   5.756  -2.272
  880   2HG   GLU  93          1HG       GLU  93  11.619   4.665  -2.936
  881    QB   GLU  93           QB       GLU  93  11.901   7.160  -3.650
  882    QG   GLU  93           QG       GLU  93  11.006   5.211  -2.604
  883    H    GLU  94           H        GLU  94   9.389   7.346  -6.610
  884    HA   GLU  94           HA       GLU  94  11.591   8.533  -8.128
  885   1HB   GLU  94          2HB       GLU  94  10.078   8.287 -10.151
  886   2HB   GLU  94          1HB       GLU  94  10.826   6.818  -9.537
  887   1HG   GLU  94          2HG       GLU  94   8.764   6.144  -8.516
  888   2HG   GLU  94          1HG       GLU  94   8.020   7.694  -8.903
  889    QB   GLU  94           QB       GLU  94  10.452   7.553  -9.844
  890    QG   GLU  94           QG       GLU  94   8.392   6.919  -8.710
  891    H    SER  95           H        SER  95  11.359  10.568  -8.884
  892    HA   SER  95           HA       SER  95   9.508  12.275  -7.567
  893   1HB   SER  95          2HB       SER  95  11.270  12.829  -9.956
  894   2HB   SER  95          1HB       SER  95  10.535  14.019  -8.873
  895    HG   SER  95           HG       SER  95  11.895  12.255  -7.407
  896    QB   SER  95           QB       SER  95  10.903  13.424  -9.414
  897    H    ILE  96           H        ILE  96   7.564  12.797  -8.169
  898    HA   ILE  96           HA       ILE  96   6.718  12.135 -10.922
  899    HB   ILE  96           HB       ILE  96   4.530  11.771 -10.149
  900   1HG1  ILE  96          2HG1      ILE  96   5.653  11.437  -7.394
  901   2HG1  ILE  96          1HG1      ILE  96   4.946  12.958  -7.902
  902   1HG2  ILE  96          3HG2      ILE  96   6.702   9.985  -9.060
  903   2HG2  ILE  96          2HG2      ILE  96   5.021   9.483  -9.252
  904   3HG2  ILE  96          1HG2      ILE  96   5.979   9.933 -10.667
  905   1HD1  ILE  96          1HD1      ILE  96   3.500  10.343  -7.926
  906   2HD1  ILE  96          3HD1      ILE  96   3.527  11.513  -6.599
  907   3HD1  ILE  96          2HD1      ILE  96   2.876  12.013  -8.137
  908    MG   ILE  96           QG2      ILE  96   5.900   9.800  -9.660
  909    MD   ILE  96           QD1      ILE  96   3.301  11.290  -7.554
  910    QG   ILE  96           QG1      ILE  96   5.300  12.198  -7.648
  911    H    ALA  97           H        ALA  97   4.831  13.125 -11.726
  912    HA   ALA  97           HA       ALA  97   4.711  15.957 -11.079
  913   1HB   ALA  97          3HB       ALA  97   4.891  15.207 -13.465
  914   2HB   ALA  97          1HB       ALA  97   3.428  16.178 -13.081
  915   3HB   ALA  97          2HB       ALA  97   3.297  14.437 -13.151
  916    MB   ALA  97           QB       ALA  97   3.872  15.274 -13.233
  917    H    LYS  98           H        LYS  98   3.485  13.321 -10.322
  918    HA   LYS  98           HA       LYS  98   1.649  12.389  -9.479
  919   1HB   LYS  98          2HB       LYS  98   2.423  14.126  -7.984
  920   2HB   LYS  98          1HB       LYS  98   1.242  15.189  -8.731
  921   1HG   LYS  98          2HG       LYS  98   0.166  12.793  -7.895
  922   2HG   LYS  98          1HG       LYS  98   1.082  13.639  -6.611
  923   1HD   LYS  98          2HD       LYS  98  -0.283  15.516  -6.690
  924   2HD   LYS  98          1HD       LYS  98  -0.784  15.100  -8.350
  925   1HE   LYS  98          2HE       LYS  98  -2.027  13.451  -7.733
  926   2HE   LYS  98          1HE       LYS  98  -1.461  13.424  -6.043
  927   1HZ   LYS  98          1HZ       LYS  98  -2.527  15.664  -5.789
  928   2HZ   LYS  98          3HZ       LYS  98  -3.139  15.549  -7.352
  929   3HZ   LYS  98          2HZ       LYS  98  -3.703  14.508  -6.159
  930    QB   LYS  98           QB       LYS  98   1.833  14.657  -8.357
  931    QD   LYS  98           QD       LYS  98  -0.534  15.308  -7.520
  932    QG   LYS  98           QG       LYS  98   0.624  13.216  -7.253
  933    QE   LYS  98           QE       LYS  98  -1.744  13.437  -6.888
  934    QZ   LYS  98           QZ       LYS  98  -3.123  15.240  -6.433
  935    H    ARG  99           H        ARG  99  -0.867  13.012  -9.208
  936    HA   ARG  99           HA       ARG  99  -2.897  13.379 -10.061
  937   1HB   ARG  99          2HB       ARG  99  -2.223  15.540 -10.972
  938   2HB   ARG  99          1HB       ARG  99  -1.368  14.780 -12.281
  939   1HG   ARG  99          2HG       ARG  99  -3.405  15.965 -12.968
  940   2HG   ARG  99          1HG       ARG  99  -3.437  14.262 -13.394
  941   1HD   ARG  99          2HD       ARG  99  -4.676  15.116 -10.838
  942   2HD   ARG  99          1HD       ARG  99  -5.527  15.488 -12.337
  943    HE   ARG  99           HE       ARG  99  -4.708  12.802 -12.337
  944   1HH1  ARG  99          1HH1      ARG  99  -7.085  14.901 -10.796
  945   2HH1  ARG  99          2HH1      ARG  99  -8.278  13.698 -10.648
  946   1HH2  ARG  99          1HH2      ARG  99  -6.323  11.136 -12.152
  947   2HH2  ARG  99          2HH2      ARG  99  -7.842  11.479 -11.455
  948    QB   ARG  99           QB       ARG  99  -1.795  15.160 -11.626
  949    QG   ARG  99           QG       ARG  99  -3.421  15.113 -13.181
  950    QD   ARG  99           QD       ARG  99  -5.102  15.302 -11.588
  951    QH1  ARG  99           QH1      ARG  99  -7.681  14.299 -10.722
  952    QH2  ARG  99           QH2      ARG  99  -7.083  11.308 -11.803
  953    H    ARG 100           H        ARG 100  -1.828  11.052 -10.000
  954    HA   ARG 100           HA       ARG 100  -2.669   9.832 -12.490
  955   1HB   ARG 100          2HB       ARG 100  -1.381   8.596 -10.065
  956   2HB   ARG 100          1HB       ARG 100  -1.771   7.746 -11.552
  957   1HG   ARG 100          2HG       ARG 100  -0.249   9.198 -12.771
  958   2HG   ARG 100          1HG       ARG 100   0.142  10.025 -11.254
  959   1HD   ARG 100          2HD       ARG 100   1.851   8.334 -11.847
  960   2HD   ARG 100          1HD       ARG 100   1.023   7.917 -10.349
  961    HE   ARG 100           HE       ARG 100  -0.407   6.637 -12.289
  962   1HH1  ARG 100          1HH1      ARG 100   3.060   6.528 -11.435
  963   2HH1  ARG 100          2HH1      ARG 100   3.204   4.899 -11.903
  964   1HH2  ARG 100          1HH2      ARG 100  -0.137   4.418 -12.846
  965   2HH2  ARG 100          2HH2      ARG 100   1.395   3.681 -12.701
  966    QB   ARG 100           QB       ARG 100  -1.576   8.171 -10.808
  967    QG   ARG 100           QG       ARG 100  -0.053   9.612 -12.012
  968    QD   ARG 100           QD       ARG 100   1.437   8.125 -11.098
  969    QH1  ARG 100           QH1      ARG 100   3.132   5.713 -11.669
  970    QH2  ARG 100           QH2      ARG 100   0.629   4.050 -12.773
  971    H    PHE 101           H        PHE 101  -3.217   9.170  -8.996
  972    HA   PHE 101           HA       PHE 101  -5.742   8.021  -9.916
  973   1HB   PHE 101          2HB       PHE 101  -4.036   7.235  -7.611
  974   2HB   PHE 101          1HB       PHE 101  -5.748   6.830  -7.610
  975    HD1  PHE 101          1HD       PHE 101  -6.391   4.822  -8.517
  976    HD2  PHE 101          2HD       PHE 101  -2.788   6.634  -9.861
  977    HE1  PHE 101          1HE       PHE 101  -5.952   2.880  -9.942
  978    HE2  PHE 101          2HE       PHE 101  -2.345   4.689 -11.288
  979    HZ   PHE 101           HZ       PHE 101  -3.902   2.819 -11.333
  980    QB   PHE 101           QB       PHE 101  -4.892   7.032  -7.610
  981    QD   PHE 101           QD       PHE 101  -4.589   5.728  -9.189
  982    QE   PHE 101           QE       PHE 101  -4.149   3.785 -10.615
  983    QR   PHE 101           QR       PHE 101  -4.276   4.369 -10.188
  984    H    ALA 102           H        ALA 102  -4.655  10.432  -8.209
  985    HA   ALA 102           HA       ALA 102  -5.603  12.260  -7.184
  986   1HB   ALA 102          1HB       ALA 102  -7.139  12.205  -9.128
  987   2HB   ALA 102          2HB       ALA 102  -7.856  12.923  -7.688
  988   3HB   ALA 102          3HB       ALA 102  -8.273  11.271  -8.155
  989    MB   ALA 102           QB       ALA 102  -7.756  12.133  -8.324
  990    H    GLY 103           H        GLY 103  -6.759   9.260  -6.241
  991   1HA   GLY 103          1HA       GLY 103  -8.272   9.391  -4.085
  992   2HA   GLY 103          2HA       GLY 103  -6.788  10.143  -3.479
  993    QA   GLY 103           QA       GLY 103  -7.530   9.767  -3.782
  994    H    TRP 104           H        TRP 104  -6.599   8.179  -2.048
  995    HA   TRP 104           HA       TRP 104  -5.241   6.113  -3.506
  996   1HB   TRP 104          2HB       TRP 104  -4.053   6.709  -1.572
  997   2HB   TRP 104          1HB       TRP 104  -5.473   6.772  -0.582
  998    HD1  TRP 104           HD       TRP 104  -2.728   4.413  -1.711
  999    HE1  TRP 104          1HE       TRP 104  -2.968   2.216  -0.358
 1000    HE3  TRP 104          3HE       TRP 104  -7.295   5.223   0.472
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.867   1.047   1.358
 1002    HZ3  TRP 104          3HZ       TRP 104  -8.193   3.670   1.845
 1003    HH2  TRP 104           HH       TRP 104  -7.118   1.645   2.340
 1004    QB   TRP 104           QB       TRP 104  -4.763   6.741  -1.077
 1005    H    HIS 105           H        HIS 105  -5.825   4.100  -3.903
 1006    HA   HIS 105           HA       HIS 105  -8.636   3.433  -3.301
 1007   1HB   HIS 105          2HB       HIS 105  -6.946   3.232  -5.705
 1008   2HB   HIS 105          1HB       HIS 105  -8.427   2.248  -5.593
 1009    HD1  HIS 105          1HD       HIS 105 -10.672   3.806  -5.394
 1010    HD2  HIS 105          2HD       HIS 105  -7.211   5.708  -6.651
 1011    HE1  HIS 105          1HE       HIS 105 -11.426   5.943  -6.473
 1012    HE2  HIS 105          2HE       HIS 105  -9.315   7.160  -7.010
 1013    QB   HIS 105           QB       HIS 105  -7.687   2.740  -5.649
 1014    H    MET 106           H        MET 106  -8.436   1.770  -1.794
 1015    HA   MET 106           HA       MET 106  -6.355  -0.178  -2.231
 1016   1HB   MET 106          2HB       MET 106  -7.039   0.489   0.108
 1017   2HB   MET 106          1HB       MET 106  -8.567  -0.345  -0.168
 1018   1HG   MET 106          2HG       MET 106  -7.431  -2.454  -0.414
 1019   2HG   MET 106          1HG       MET 106  -5.872  -1.644  -0.346
 1020   1HE   MET 106          2HE       MET 106  -6.504  -4.170   1.413
 1021   2HE   MET 106          1HE       MET 106  -4.966  -3.340   1.548
 1022   3HE   MET 106          3HE       MET 106  -5.917  -3.667   3.001
 1023    QB   MET 106           QB       MET 106  -7.803   0.072  -0.030
 1024    QG   MET 106           QG       MET 106  -6.652  -2.049  -0.380
 1025    ME   MET 106           QE       MET 106  -5.796  -3.726   1.987
 1026    H    GLN 107           H        GLN 107  -6.534  -1.968  -3.407
 1027    HA   GLN 107           HA       GLN 107  -9.111  -2.418  -4.620
 1028   1HB   GLN 107          2HB       GLN 107  -6.436  -3.677  -5.220
 1029   2HB   GLN 107          1HB       GLN 107  -7.912  -3.992  -6.126
 1030   1HG   GLN 107          2HG       GLN 107  -6.524  -1.330  -5.855
 1031   2HG   GLN 107          1HG       GLN 107  -6.508  -2.365  -7.281
 1032   1HE2  GLN 107          1HE2      GLN 107  -8.411  -0.171  -5.355
 1033   2HE2  GLN 107          2HE2      GLN 107  -9.697   0.002  -6.493
 1034    QB   GLN 107           QB       GLN 107  -7.174  -3.834  -5.673
 1035    QG   GLN 107           QG       GLN 107  -6.516  -1.848  -6.568
 1036    QE   GLN 107           QE2      GLN 107  -9.054  -0.085  -5.924
 1037    H    LEU 108           H        LEU 108  -7.061  -3.994  -2.287
 1038    HA   LEU 108           HA       LEU 108  -8.953  -6.181  -2.187
 1039   1HB   LEU 108          2HB       LEU 108  -6.601  -6.718  -1.667
 1040   2HB   LEU 108          1HB       LEU 108  -6.626  -5.595  -0.319
 1041    HG   LEU 108           HG       LEU 108  -8.380  -7.000   0.757
 1042   1HD1  LEU 108          1HD1      LEU 108  -7.779  -8.917  -1.480
 1043   2HD1  LEU 108          3HD1      LEU 108  -8.722  -9.286  -0.040
 1044   3HD1  LEU 108          2HD1      LEU 108  -9.304  -8.079  -1.184
 1045   1HD2  LEU 108          3HD2      LEU 108  -5.791  -8.404   0.117
 1046   2HD2  LEU 108          2HD2      LEU 108  -6.054  -7.242   1.416
 1047   3HD2  LEU 108          1HD2      LEU 108  -6.871  -8.806   1.452
 1048    MD1  LEU 108           QD1      LEU 108  -8.601  -8.761  -0.901
 1049    MD2  LEU 108           QD2      LEU 108  -6.239  -8.151   0.995
 1050    QB   LEU 108           QB       LEU 108  -6.613  -6.156  -0.993
 1051    QD   LEU 108           QQD      LEU 108  -7.420  -8.456   0.047
 1052    H    SER 109           H        SER 109 -10.662  -4.905  -1.945
 1053    HA   SER 109           HA       SER 109 -11.478  -4.248   0.701
 1054   1HB   SER 109          2HB       SER 109 -10.215  -2.217   0.085
 1055   2HB   SER 109          1HB       SER 109 -11.043  -2.145  -1.461
 1056    HG   SER 109           HG       SER 109 -12.261  -1.859   1.093
 1057    QB   SER 109           QB       SER 109 -10.629  -2.181  -0.688
 1058    H    CYS 110           H        CYS 110 -13.642  -4.725   0.677
 1059    HA   CYS 110           HA       CYS 110 -15.605  -5.511  -0.044
 1060   1HB   CYS 110          2HB       CYS 110 -15.152  -3.577  -2.336
 1061   2HB   CYS 110          1HB       CYS 110 -16.698  -4.291  -1.897
 1062    HG   CYS 110           HG       CYS 110 -16.285  -3.079   0.809
 1063    QB   CYS 110           QB       CYS 110 -15.925  -3.934  -2.116
 1064    H    SER 111           H        SER 111 -13.814  -7.368  -0.490
 1065    HA   SER 111           HA       SER 111 -13.744  -8.151  -3.245
 1066   1HB   SER 111          2HB       SER 111 -12.658 -10.247  -2.178
 1067   2HB   SER 111          1HB       SER 111 -11.785  -8.719  -2.033
 1068    HG   SER 111           HG       SER 111 -13.576  -9.685  -0.085
 1069    QB   SER 111           QB       SER 111 -12.221  -9.483  -2.106
 1070    H    GLU 112           H        GLU 112 -15.857  -8.184  -3.651
 1071    HA   GLU 112           HA       GLU 112 -17.944  -8.575  -3.633
 1072   1HB   GLU 112          2HB       GLU 112 -18.687 -10.776  -4.397
 1073   2HB   GLU 112          1HB       GLU 112 -17.174 -10.348  -5.149
 1074   1HG   GLU 112          2HG       GLU 112 -16.717 -12.520  -4.731
 1075   2HG   GLU 112          1HG       GLU 112 -16.273 -11.900  -3.137
 1076    QB   GLU 112           QB       GLU 112 -17.930 -10.562  -4.773
 1077    QG   GLU 112           QG       GLU 112 -16.495 -12.210  -3.934
 1078    H    ALA 113           H        ALA 113 -17.414 -11.332  -1.497
 1079    HA   ALA 113           HA       ALA 113 -18.515 -12.015   0.375
 1080   1HB   ALA 113          2HB       ALA 113 -18.305  -9.085   1.096
 1081   2HB   ALA 113          1HB       ALA 113 -18.537 -10.420   2.226
 1082   3HB   ALA 113          3HB       ALA 113 -17.030 -10.285   1.321
 1083    MB   ALA 113           QB       ALA 113 -17.957  -9.930   1.548
 1084    H    ASP 114           H        ASP 114 -20.121 -11.117  -1.835
 1085    HA   ASP 114           HA       ASP 114 -22.677 -10.536  -0.465
 1086   1HB   ASP 114          2HB       ASP 114 -21.666  -8.417  -1.379
 1087   2HB   ASP 114          1HB       ASP 114 -21.801  -9.114  -2.988
 1088    QB   ASP 114           QB       ASP 114 -21.733  -8.766  -2.184
 1089    H    MET 115           H        MET 115 -20.942 -11.605  -3.334
 1090    HA   MET 115           HA       MET 115 -23.209 -12.908  -4.545
 1091   1HB   MET 115          2HB       MET 115 -21.121 -12.024  -5.761
 1092   2HB   MET 115          1HB       MET 115 -20.249 -13.348  -5.004
 1093   1HG   MET 115          2HG       MET 115 -21.795 -14.930  -6.114
 1094   2HG   MET 115          1HG       MET 115 -22.509 -13.562  -6.973
 1095   1HE   MET 115          3HE       MET 115 -22.060 -14.567  -9.319
 1096   2HE   MET 115          2HE       MET 115 -20.505 -15.213  -9.849
 1097   3HE   MET 115          1HE       MET 115 -21.406 -16.019  -8.566
 1098    QB   MET 115           QB       MET 115 -20.685 -12.686  -5.383
 1099    QG   MET 115           QG       MET 115 -22.152 -14.246  -6.543
 1100    ME   MET 115           QE       MET 115 -21.324 -15.267  -9.245
 1101    H    ARG 116           H        ARG 116 -20.424 -13.510  -2.568
 1102    HA   ARG 116           HA       ARG 116 -19.991 -14.849  -0.874
 1103   1HB   ARG 116          2HB       ARG 116 -22.774 -15.875  -1.319
 1104   2HB   ARG 116          1HB       ARG 116 -21.772 -16.273   0.080
 1105   1HG   ARG 116          2HG       ARG 116 -21.764 -13.963   0.776
 1106   2HG   ARG 116          1HG       ARG 116 -22.611 -13.484  -0.689
 1107   1HD   ARG 116          2HD       ARG 116 -23.687 -15.253   1.505
 1108   2HD   ARG 116          1HD       ARG 116 -24.117 -13.569   1.225
 1109    HE   ARG 116           HE       ARG 116 -24.749 -15.813  -0.567
 1110   1HH1  ARG 116          1HH1      ARG 116 -25.439 -12.507   0.514
 1111   2HH1  ARG 116          2HH1      ARG 116 -26.990 -12.473  -0.169
 1112   1HH2  ARG 116          1HH2      ARG 116 -26.846 -15.738  -1.509
 1113   2HH2  ARG 116          2HH2      ARG 116 -27.808 -14.328  -1.369
 1114    QB   ARG 116           QB       ARG 116 -22.273 -16.074  -0.619
 1115    QG   ARG 116           QG       ARG 116 -22.188 -13.723   0.043
 1116    QD   ARG 116           QD       ARG 116 -23.902 -14.411   1.365
 1117    QH1  ARG 116           QH1      ARG 116 -26.214 -12.490   0.172
 1118    QH2  ARG 116           QH2      ARG 116 -27.327 -15.033  -1.439
 1119    H    SER 117           H        SER 117 -19.515 -15.500  -3.643
 1120    HA   SER 117           HA       SER 117 -19.641 -18.388  -3.836
 1121   1HB   SER 117          2HB       SER 117 -18.381 -16.379  -5.712
 1122   2HB   SER 117          1HB       SER 117 -18.739 -18.067  -6.069
 1123    HG   SER 117           HG       SER 117 -20.254 -16.132  -6.584
 1124    QB   SER 117           QB       SER 117 -18.560 -17.223  -5.890
 1125    H    LEU 118           H        LEU 118 -17.425 -15.932  -2.796
 1126    HA   LEU 118           HA       LEU 118 -15.012 -17.389  -3.182
 1127   1HB   LEU 118          2HB       LEU 118 -15.588 -15.220  -1.179
 1128   2HB   LEU 118          1HB       LEU 118 -14.000 -15.866  -1.523
 1129    HG   LEU 118           HG       LEU 118 -15.772 -14.327  -3.377
 1130   1HD1  LEU 118          2HD1      LEU 118 -13.122 -13.671  -2.084
 1131   2HD1  LEU 118          1HD1      LEU 118 -13.937 -12.665  -3.282
 1132   3HD1  LEU 118          3HD1      LEU 118 -14.688 -12.945  -1.712
 1133   1HD2  LEU 118          2HD2      LEU 118 -13.047 -15.519  -3.910
 1134   2HD2  LEU 118          1HD2      LEU 118 -14.572 -16.008  -4.651
 1135   3HD2  LEU 118          3HD2      LEU 118 -13.912 -14.412  -4.975
 1136    MD1  LEU 118           QD1      LEU 118 -13.916 -13.094  -2.359
 1137    MD2  LEU 118           QD2      LEU 118 -13.844 -15.313  -4.512
 1138    QB   LEU 118           QB       LEU 118 -14.794 -15.543  -1.351
 1139    QD   LEU 118           QQD      LEU 118 -13.880 -14.203  -3.436
 1140    H    GLY 119           H        GLY 119 -17.390 -18.430  -1.396
 1141   1HA   GLY 119          1HA       GLY 119 -15.522 -19.746   0.482
 1142   2HA   GLY 119          2HA       GLY 119 -16.953 -20.519  -0.183
 1143    QA   GLY 119           QA       GLY 119 -16.238 -20.133   0.150
 1144    H    LEU 120           H        LEU 120 -17.814 -17.465   0.471
 1145    HA   LEU 120           HA       LEU 120 -18.228 -17.552   3.294
 1146   1HB   LEU 120          2HB       LEU 120 -18.302 -15.515   1.615
 1147   2HB   LEU 120          1HB       LEU 120 -19.955 -16.076   1.377
 1148    HG   LEU 120           HG       LEU 120 -18.930 -15.243   4.092
 1149   1HD1  LEU 120          3HD1      LEU 120 -18.669 -13.364   2.585
 1150   2HD1  LEU 120          2HD1      LEU 120 -20.335 -13.538   2.040
 1151   3HD1  LEU 120          1HD1      LEU 120 -19.994 -13.085   3.708
 1152   1HD2  LEU 120          1HD2      LEU 120 -20.991 -16.585   4.077
 1153   2HD2  LEU 120          3HD2      LEU 120 -21.310 -14.925   4.590
 1154   3HD2  LEU 120          2HD2      LEU 120 -21.725 -15.435   2.956
 1155    MD1  LEU 120           QD1      LEU 120 -19.666 -13.329   2.778
 1156    MD2  LEU 120           QD2      LEU 120 -21.342 -15.648   3.874
 1157    QB   LEU 120           QB       LEU 120 -19.128 -15.796   1.496
 1158    QD   LEU 120           QQD      LEU 120 -20.504 -14.489   3.326
 1159    H    ALA 121           H        ALA 121 -20.371 -18.013   0.463
 1160    HA   ALA 121           HA       ALA 121 -22.185 -19.391   2.164
 1161   1HB   ALA 121          2HB       ALA 121 -23.737 -19.338   0.198
 1162   2HB   ALA 121          3HB       ALA 121 -22.498 -18.451  -0.686
 1163   3HB   ALA 121          1HB       ALA 121 -23.239 -17.732   0.741
 1164    MB   ALA 121           QB       ALA 121 -23.158 -18.507   0.084
 1165    H    GLU 122           H        GLU 122 -21.085 -21.228   2.410
 1166    HA   GLU 122           HA       GLU 122 -20.935 -23.099   0.220
 1167   1HB   GLU 122          2HB       GLU 122 -18.696 -21.608   0.783
 1168   2HB   GLU 122          1HB       GLU 122 -18.515 -22.881   1.971
 1169   1HG   GLU 122          2HG       GLU 122 -18.751 -23.350  -1.012
 1170   2HG   GLU 122          1HG       GLU 122 -17.232 -23.212  -0.150
 1171    QB   GLU 122           QB       GLU 122 -18.606 -22.245   1.377
 1172    QG   GLU 122           QG       GLU 122 -17.992 -23.281  -0.581
 1173    H    SER 123           H        SER 123 -19.907 -25.139   1.629
 1174    HA   SER 123           HA       SER 123 -21.534 -25.220   4.052
 1175   1HB   SER 123          2HB       SER 123 -21.447 -27.723   3.608
 1176   2HB   SER 123          1HB       SER 123 -22.349 -26.771   2.434
 1177    HG   SER 123           HG       SER 123 -20.367 -26.783   1.123
 1178    QB   SER 123           QB       SER 123 -21.898 -27.247   3.021
 1179    H    ARG 124           H        ARG 124 -20.578 -26.671   5.827
 1180    HA   ARG 124           HA       ARG 124 -17.841 -27.267   5.631
 1181   1HB   ARG 124          2HB       ARG 124 -16.983 -25.962   7.480
 1182   2HB   ARG 124          1HB       ARG 124 -17.739 -24.837   6.383
 1183   1HG   ARG 124          2HG       ARG 124 -19.007 -25.863   8.920
 1184   2HG   ARG 124          1HG       ARG 124 -18.108 -24.355   8.797
 1185   1HD   ARG 124          2HD       ARG 124 -20.555 -25.042   7.204
 1186   2HD   ARG 124          1HD       ARG 124 -20.585 -24.080   8.689
 1187    HE   ARG 124           HE       ARG 124 -18.828 -22.770   7.135
 1188   1HH1  ARG 124          1HH1      ARG 124 -22.082 -23.943   6.495
 1189   2HH1  ARG 124          2HH1      ARG 124 -22.463 -22.686   5.402
 1190   1HH2  ARG 124          1HH2      ARG 124 -19.366 -21.041   5.692
 1191   2HH2  ARG 124          2HH2      ARG 124 -20.910 -20.980   4.961
 1192    QB   ARG 124           QB       ARG 124 -17.361 -25.399   6.931
 1193    QG   ARG 124           QG       ARG 124 -18.557 -25.109   8.859
 1194    QD   ARG 124           QD       ARG 124 -20.570 -24.561   7.947
 1195    QH1  ARG 124           QH1      ARG 124 -22.272 -23.314   5.949
 1196    QH2  ARG 124           QH2      ARG 124 -20.138 -21.011   5.327
 1197    H    GLN 125           H        GLN 125 -17.471 -28.966   6.740
 1198    HA   GLN 125           HA       GLN 125 -19.521 -29.905   8.639
 1199   1HB   GLN 125          2HB       GLN 125 -19.522 -31.174   6.544
 1200   2HB   GLN 125          1HB       GLN 125 -17.812 -31.515   6.758
 1201   1HG   GLN 125          2HG       GLN 125 -18.312 -32.811   8.752
 1202   2HG   GLN 125          1HG       GLN 125 -20.027 -32.450   8.571
 1203   1HE2  GLN 125          1HE2      GLN 125 -17.908 -33.101   5.865
 1204   2HE2  GLN 125          2HE2      GLN 125 -18.620 -34.609   5.454
 1205    QB   GLN 125           QB       GLN 125 -18.667 -31.344   6.651
 1206    QG   GLN 125           QG       GLN 125 -19.170 -32.630   8.662
 1207    QE   GLN 125           QE2      GLN 125 -18.264 -33.855   5.659

  No H/Q in entry =        1207
  Start of MODEL    4
    1    H1   LEU   5          2HT       LEU   5  -0.030  29.981 -30.363
    2    H2   LEU   5          1HT       LEU   5   1.137  30.483 -31.498
    3    H3   LEU   5          3HT       LEU   5   0.804  28.847 -31.269
    4    HA   LEU   5           HA       LEU   5   2.860  29.380 -30.160
    5   1HB   LEU   5          2HB       LEU   5   1.634  31.770 -29.658
    6   2HB   LEU   5          1HB       LEU   5   1.362  30.900 -28.146
    7    HG   LEU   5           HG       LEU   5   3.267  32.334 -27.908
    8   1HD1  LEU   5          3HD1      LEU   5   4.153  29.492 -28.175
    9   2HD1  LEU   5          2HD1      LEU   5   5.042  30.762 -27.327
   10   3HD1  LEU   5          1HD1      LEU   5   3.454  30.247 -26.743
   11   1HD2  LEU   5          1HD2      LEU   5   3.808  32.615 -30.227
   12   2HD2  LEU   5          3HD2      LEU   5   5.246  32.139 -29.323
   13   3HD2  LEU   5          2HD2      LEU   5   4.395  30.957 -30.328
   14    MD1  LEU   5           QD1      LEU   5   4.217  30.167 -27.415
   15    MD2  LEU   5           QD2      LEU   5   4.483  31.903 -29.959
   16    QB   LEU   5           QB       LEU   5   1.498  31.335 -28.902
   17    QD   LEU   5           QQD      LEU   5   4.350  31.035 -28.687
   18    H    GLU   6           H        GLU   6   3.140  27.650 -28.883
   19    HA   GLU   6           HA       GLU   6   0.799  26.480 -27.686
   20   1HB   GLU   6          2HB       GLU   6   2.321  25.098 -29.147
   21   2HB   GLU   6          1HB       GLU   6   3.522  25.379 -27.872
   22   1HG   GLU   6          2HG       GLU   6   2.400  23.205 -27.893
   23   2HG   GLU   6          1HG       GLU   6   2.305  24.070 -26.343
   24    QB   GLU   6           QB       GLU   6   2.922  25.238 -28.510
   25    QG   GLU   6           QG       GLU   6   2.352  23.638 -27.118
   26    H    ALA   7           H        ALA   7   0.776  25.870 -25.540
   27    HA   ALA   7           HA       ALA   7   2.537  27.523 -23.859
   28   1HB   ALA   7          3HB       ALA   7  -0.239  26.530 -23.352
   29   2HB   ALA   7          2HB       ALA   7   0.708  27.516 -22.230
   30   3HB   ALA   7          1HB       ALA   7   0.196  28.180 -23.791
   31    MB   ALA   7           QB       ALA   7   0.222  27.409 -23.124
   32    H    ASP   8           H        ASP   8   3.527  26.635 -22.097
   33    HA   ASP   8           HA       ASP   8   3.098  23.808 -21.520
   34   1HB   ASP   8          2HB       ASP   8   5.200  24.337 -22.753
   35   2HB   ASP   8          1HB       ASP   8   5.637  25.415 -21.457
   36    QB   ASP   8           QB       ASP   8   5.418  24.876 -22.105
   37    H    VAL   9           H        VAL   9   2.733  23.470 -19.325
   38    HA   VAL   9           HA       VAL   9   2.515  25.580 -17.659
   39    HB   VAL   9           HB       VAL   9   2.247  23.925 -15.778
   40   1HG1  VAL   9          2HG1      VAL   9   0.610  23.525 -18.273
   41   2HG1  VAL   9          1HG1      VAL   9   0.128  23.019 -16.651
   42   3HG1  VAL   9          3HG1      VAL   9   0.344  24.729 -17.010
   43   1HG2  VAL   9          2HG2      VAL   9   2.666  22.032 -18.042
   44   2HG2  VAL   9          1HG2      VAL   9   3.685  22.218 -16.613
   45   3HG2  VAL   9          3HG2      VAL   9   2.047  21.551 -16.451
   46    MG1  VAL   9           QG1      VAL   9   0.361  23.758 -17.312
   47    MG2  VAL   9           QG2      VAL   9   2.799  21.933 -17.035
   48    QG   VAL   9           QQG      VAL   9   1.580  22.846 -17.173
   49    H    THR  10           H        THR  10   5.176  23.967 -18.683
   50    HA   THR  10           HA       THR  10   7.392  24.115 -18.383
   51    HB   THR  10           HB       THR  10   8.382  25.908 -17.236
   52    HG1  THR  10          1HG       THR  10   5.916  26.110 -16.019
   53   1HG2  THR  10          1HG2      THR  10   6.009  26.767 -18.884
   54   2HG2  THR  10          3HG2      THR  10   7.379  27.808 -18.508
   55   3HG2  THR  10          2HG2      THR  10   7.619  26.355 -19.474
   56    MG   THR  10           QG2      THR  10   7.002  26.977 -18.955
   57    H    MET  11           H        MET  11   5.815  22.380 -16.610
   58    HA   MET  11           HA       MET  11   7.360  22.460 -14.208
   59   1HB   MET  11          2HB       MET  11   4.966  20.848 -15.030
   60   2HB   MET  11          1HB       MET  11   5.854  20.558 -13.544
   61   1HG   MET  11          2HG       MET  11   5.361  22.842 -12.804
   62   2HG   MET  11          1HG       MET  11   4.488  23.134 -14.305
   63   1HE   MET  11          1HE       MET  11   4.597  21.105 -10.951
   64   2HE   MET  11          3HE       MET  11   3.116  20.153 -11.045
   65   3HE   MET  11          2HE       MET  11   4.451  19.810 -12.142
   66    QB   MET  11           QB       MET  11   5.410  20.703 -14.287
   67    QG   MET  11           QG       MET  11   4.925  22.988 -13.554
   68    ME   MET  11           QE       MET  11   4.055  20.356 -11.379
   69    H    THR  12           H        THR  12   9.120  21.369 -13.962
   70    HA   THR  12           HA       THR  12   9.648  18.927 -15.525
   71    HB   THR  12           HB       THR  12  11.865  19.216 -14.766
   72    HG1  THR  12          1HG       THR  12  12.078  20.569 -13.046
   73   1HG2  THR  12          2HG2      THR  12  11.258  20.149 -16.914
   74   2HG2  THR  12          1HG2      THR  12  10.743  21.648 -16.152
   75   3HG2  THR  12          3HG2      THR  12  12.452  21.205 -16.155
   76    MG   THR  12           QG2      THR  12  11.484  21.001 -16.407
   77    H    GLY  13           H        GLY  13   8.436  19.995 -12.672
   78   1HA   GLY  13          1HA       GLY  13   9.592  18.278 -10.799
   79   2HA   GLY  13          2HA       GLY  13   8.129  17.559 -11.482
   80    QA   GLY  13           QA       GLY  13   8.860  17.919 -11.141
   81    H    SER  14           H        SER  14   8.145  18.176  -8.878
   82    HA   SER  14           HA       SER  14   7.169  20.769  -8.345
   83   1HB   SER  14          2HB       SER  14   5.207  19.549  -9.469
   84   2HB   SER  14          1HB       SER  14   5.269  18.396  -8.146
   85    HG   SER  14           HG       SER  14   4.884  20.386  -6.722
   86    QB   SER  14           QB       SER  14   5.238  18.973  -8.807
   87    H    ASP  15           H        ASP  15   5.648  19.041  -6.076
   88    HA   ASP  15           HA       ASP  15   8.001  18.279  -4.707
   89   1HB   ASP  15          2HB       ASP  15   6.768  19.116  -2.793
   90   2HB   ASP  15          1HB       ASP  15   7.378  20.432  -3.748
   91    QB   ASP  15           QB       ASP  15   7.073  19.774  -3.271
   92    H    LEU  16           H        LEU  16   6.719  16.574  -6.145
   93    HA   LEU  16           HA       LEU  16   5.457  14.911  -4.149
   94   1HB   LEU  16          2HB       LEU  16   4.855  14.975  -7.072
   95   2HB   LEU  16          1HB       LEU  16   4.170  13.870  -5.898
   96    HG   LEU  16           HG       LEU  16   2.533  15.254  -6.384
   97   1HD1  LEU  16          2HD1      LEU  16   2.597  15.116  -4.040
   98   2HD1  LEU  16          1HD1      LEU  16   3.663  16.517  -3.935
   99   3HD1  LEU  16          3HD1      LEU  16   2.005  16.712  -4.500
  100   1HD2  LEU  16          1HD2      LEU  16   4.359  17.605  -6.437
  101   2HD2  LEU  16          3HD2      LEU  16   3.525  16.766  -7.758
  102   3HD2  LEU  16          2HD2      LEU  16   2.585  17.684  -6.592
  103    MD1  LEU  16           QD1      LEU  16   2.755  16.115  -4.158
  104    MD2  LEU  16           QD2      LEU  16   3.490  17.352  -6.929
  105    QB   LEU  16           QB       LEU  16   4.513  14.423  -6.485
  106    QD   LEU  16           QQD      LEU  16   3.122  16.733  -5.544
  107    H    VAL  17           H        VAL  17   5.691  12.798  -4.433
  108    HA   VAL  17           HA       VAL  17   7.846  11.987  -5.921
  109    HB   VAL  17           HB       VAL  17   7.839  12.064  -2.911
  110   1HG1  VAL  17          1HG1      VAL  17   9.353  10.255  -4.651
  111   2HG1  VAL  17          3HG1      VAL  17   9.766  10.529  -2.929
  112   3HG1  VAL  17          2HG1      VAL  17   8.165   9.839  -3.360
  113   1HG2  VAL  17          3HG2      VAL  17   9.062  13.832  -4.095
  114   2HG2  VAL  17          2HG2      VAL  17  10.146  12.814  -3.142
  115   3HG2  VAL  17          1HG2      VAL  17  10.050  12.608  -4.885
  116    MG1  VAL  17           QG1      VAL  17   9.095  10.208  -3.647
  117    MG2  VAL  17           QG2      VAL  17   9.753  13.084  -4.041
  118    QG   VAL  17           QQG      VAL  17   9.424  11.646  -3.844
  119    H    SER  18           H        SER  18   7.693   9.605  -5.960
  120    HA   SER  18           HA       SER  18   5.247   8.484  -4.827
  121   1HB   SER  18          2HB       SER  18   4.879   9.106  -7.217
  122   2HB   SER  18          1HB       SER  18   6.176   8.015  -7.673
  123    HG   SER  18           HG       SER  18   3.964   7.172  -6.154
  124    QB   SER  18           QB       SER  18   5.528   8.560  -7.445
  125    H    CYS  19           H        CYS  19   5.892   6.946  -3.548
  126    HA   CYS  19           HA       CYS  19   8.197   5.345  -4.295
  127   1HB   CYS  19          2HB       CYS  19   6.608   5.492  -1.721
  128   2HB   CYS  19          1HB       CYS  19   7.926   4.358  -1.999
  129    HG   CYS  19           HG       CYS  19   9.714   5.904  -1.075
  130    QB   CYS  19           QB       CYS  19   7.267   4.925  -1.860
  131    H    CYS  20           H        CYS  20   7.941   3.369  -5.064
  132    HA   CYS  20           HA       CYS  20   5.204   2.362  -5.323
  133   1HB   CYS  20          2HB       CYS  20   6.245   3.332  -7.385
  134   2HB   CYS  20          1HB       CYS  20   7.569   2.199  -7.219
  135    HG   CYS  20           HG       CYS  20   6.520   0.474  -8.728
  136    QB   CYS  20           QB       CYS  20   6.907   2.766  -7.302
  137    H    TYR  21           H        TYR  21   5.143   0.431  -4.006
  138    HA   TYR  21           HA       TYR  21   7.736  -0.936  -3.740
  139   1HB   TYR  21          2HB       TYR  21   7.599  -1.083  -1.455
  140   2HB   TYR  21          1HB       TYR  21   7.260   0.604  -1.830
  141    HD1  TYR  21          1HD       TYR  21   5.942  -2.559  -0.442
  142    HD2  TYR  21          2HD       TYR  21   5.189   1.582  -1.134
  143    HE1  TYR  21          1HE       TYR  21   4.163  -2.612   1.218
  144    HE2  TYR  21          2HE       TYR  21   3.399   1.505   0.538
  145    HH   TYR  21           HH       TYR  21   1.920  -0.123   1.654
  146    QB   TYR  21           QB       TYR  21   7.429  -0.239  -1.642
  147    QD   TYR  21           QD       TYR  21   5.565  -0.489  -0.788
  148    QE   TYR  21           QE       TYR  21   3.781  -0.553   0.878
  149    QR   TYR  21           QR       TYR  21   4.673  -0.521   0.045
  150    H    ARG  22           H        ARG  22   7.518  -3.115  -2.966
  151    HA   ARG  22           HA       ARG  22   4.762  -4.123  -3.030
  152   1HB   ARG  22          2HB       ARG  22   5.156  -5.995  -4.349
  153   2HB   ARG  22          1HB       ARG  22   6.186  -4.798  -5.111
  154   1HG   ARG  22          2HG       ARG  22   7.267  -6.719  -3.082
  155   2HG   ARG  22          1HG       ARG  22   7.120  -7.164  -4.768
  156   1HD   ARG  22          2HD       ARG  22   8.583  -5.311  -5.375
  157   2HD   ARG  22          1HD       ARG  22   8.679  -4.824  -3.686
  158    HE   ARG  22           HE       ARG  22   9.863  -6.848  -3.209
  159   1HH1  ARG  22          1HH1      ARG  22   9.340  -6.460  -6.696
  160   2HH1  ARG  22          2HH1      ARG  22  10.828  -7.154  -7.137
  161   1HH2  ARG  22          1HH2      ARG  22  11.956  -7.776  -3.822
  162   2HH2  ARG  22          2HH2      ARG  22  12.344  -7.927  -5.469
  163    QB   ARG  22           QB       ARG  22   5.671  -5.396  -4.730
  164    QG   ARG  22           QG       ARG  22   7.193  -6.942  -3.925
  165    QD   ARG  22           QD       ARG  22   8.631  -5.067  -4.531
  166    QH1  ARG  22           QH1      ARG  22  10.084  -6.807  -6.917
  167    QH2  ARG  22           QH2      ARG  22  12.150  -7.852  -4.645
  168    H    SER  23           H        SER  23   4.461  -6.061  -1.881
  169    HA   SER  23           HA       SER  23   6.633  -6.838  -0.224
  170   1HB   SER  23          2HB       SER  23   3.904  -6.195   0.945
  171   2HB   SER  23          1HB       SER  23   5.256  -6.879   1.824
  172    HG   SER  23           HG       SER  23   5.831  -4.591   0.468
  173    QB   SER  23           QB       SER  23   4.580  -6.537   1.385
  174    H    LEU  24           H        LEU  24   6.033  -8.927   0.738
  175    HA   LEU  24           HA       LEU  24   3.951 -10.265  -0.870
  176   1HB   LEU  24          2HB       LEU  24   6.442 -11.487   0.361
  177   2HB   LEU  24          1HB       LEU  24   5.160 -12.440  -0.338
  178    HG   LEU  24           HG       LEU  24   6.989 -12.366  -1.875
  179   1HD1  LEU  24          1HD1      LEU  24   4.817 -12.343  -2.864
  180   2HD1  LEU  24          3HD1      LEU  24   4.785 -10.579  -2.843
  181   3HD1  LEU  24          2HD1      LEU  24   5.951 -11.420  -3.857
  182   1HD2  LEU  24          2HD2      LEU  24   8.096 -10.275  -1.095
  183   2HD2  LEU  24          1HD2      LEU  24   7.872 -10.318  -2.856
  184   3HD2  LEU  24          3HD2      LEU  24   6.797  -9.357  -1.855
  185    MD1  LEU  24           QD1      LEU  24   5.184 -11.447  -3.188
  186    MD2  LEU  24           QD2      LEU  24   7.588  -9.983  -1.936
  187    QB   LEU  24           QB       LEU  24   5.801 -11.963   0.012
  188    QD   LEU  24           QQD      LEU  24   6.386 -10.715  -2.562
  189    H    ALA  25           H        ALA  25   2.369  -9.561   0.511
  190    HA   ALA  25           HA       ALA  25   2.211  -9.013   3.083
  191   1HB   ALA  25          1HB       ALA  25   0.272  -8.921   1.575
  192   2HB   ALA  25          3HB       ALA  25   0.043 -10.663   1.770
  193   3HB   ALA  25          2HB       ALA  25  -0.131  -9.555   3.146
  194    MB   ALA  25           QB       ALA  25   0.062  -9.713   2.164
  195    H    ALA  26           H        ALA  26   2.846  -9.837   5.005
  196    HA   ALA  26           HA       ALA  26   4.155 -12.044   4.888
  197   1HB   ALA  26          3HB       ALA  26   4.608 -10.267   6.394
  198   2HB   ALA  26          2HB       ALA  26   3.083 -10.547   7.245
  199   3HB   ALA  26          1HB       ALA  26   4.368 -11.750   7.329
  200    MB   ALA  26           QB       ALA  26   4.020 -10.855   6.989
  201    HA   PRO  27           HA       PRO  27   0.897 -15.188   5.437
  202   1HB   PRO  27          2HB       PRO  27   2.437 -17.092   6.650
  203   2HB   PRO  27          1HB       PRO  27   2.478 -16.717   4.914
  204   1HG   PRO  27          2HG       PRO  27   4.182 -15.471   7.070
  205   2HG   PRO  27          1HG       PRO  27   4.771 -16.381   5.625
  206   1HD   PRO  27          2HD       PRO  27   4.732 -13.835   5.650
  207   2HD   PRO  27          1HD       PRO  27   3.926 -14.619   4.264
  208    QB   PRO  27           QB       PRO  27   2.458 -16.905   5.782
  209    QG   PRO  27           QG       PRO  27   4.476 -15.926   6.348
  210    QD   PRO  27           QD       PRO  27   4.329 -14.227   4.957
  211    H    ASP  28           H        ASP  28   2.228 -13.591   7.904
  212    HA   ASP  28           HA       ASP  28   0.665 -15.033   9.937
  213   1HB   ASP  28          2HB       ASP  28   2.217 -14.295  11.647
  214   2HB   ASP  28          1HB       ASP  28   3.089 -15.120  10.363
  215    QB   ASP  28           QB       ASP  28   2.653 -14.708  11.005
  216    H    LEU  29           H        LEU  29   0.131 -12.661   8.071
  217    HA   LEU  29           HA       LEU  29  -0.340 -10.478   9.848
  218   1HB   LEU  29          2HB       LEU  29  -1.249 -10.965   7.051
  219   2HB   LEU  29          1HB       LEU  29  -1.589  -9.491   7.946
  220    HG   LEU  29           HG       LEU  29   1.011 -10.545   6.931
  221   1HD1  LEU  29          3HD1      LEU  29  -0.446  -9.387   5.389
  222   2HD1  LEU  29          2HD1      LEU  29  -0.494  -8.010   6.487
  223   3HD1  LEU  29          1HD1      LEU  29   1.035  -8.468   5.709
  224   1HD2  LEU  29          2HD2      LEU  29   0.507  -8.288   8.851
  225   2HD2  LEU  29          1HD2      LEU  29   1.476  -9.722   9.152
  226   3HD2  LEU  29          3HD2      LEU  29   2.028  -8.514   7.983
  227    MD1  LEU  29           QD1      LEU  29   0.032  -8.621   5.862
  228    MD2  LEU  29           QD2      LEU  29   1.337  -8.842   8.662
  229    QB   LEU  29           QB       LEU  29  -1.419 -10.228   7.499
  230    QD   LEU  29           QQD      LEU  29   0.684  -8.731   7.262
  231    H    THR  30           H        THR  30  -2.224  -9.599  10.475
  232    HA   THR  30           HA       THR  30  -4.509 -11.304  10.827
  233    HB   THR  30           HB       THR  30  -4.957  -9.028  11.911
  234    HG1  THR  30          1HG       THR  30  -3.058  -8.055  12.552
  235   1HG2  THR  30          3HG2      THR  30  -3.409 -11.345  12.977
  236   2HG2  THR  30          2HG2      THR  30  -4.109 -10.069  14.011
  237   3HG2  THR  30          1HG2      THR  30  -5.156 -11.065  12.987
  238    MG   THR  30           QG2      THR  30  -4.225 -10.827  13.325
  239    H    LEU  31           H        LEU  31  -6.266 -11.007   9.764
  240    HA   LEU  31           HA       LEU  31  -6.719  -9.261   7.558
  241   1HB   LEU  31          2HB       LEU  31  -7.893 -11.418   8.182
  242   2HB   LEU  31          1HB       LEU  31  -8.536 -10.392   9.480
  243    HG   LEU  31           HG       LEU  31  -9.788  -9.055   7.927
  244   1HD1  LEU  31          2HD1      LEU  31  -8.271  -9.138   6.037
  245   2HD1  LEU  31          1HD1      LEU  31  -8.722 -10.822   5.724
  246   3HD1  LEU  31          3HD1      LEU  31  -9.926  -9.525   5.592
  247   1HD2  LEU  31          2HD2      LEU  31 -10.193 -11.998   7.491
  248   2HD2  LEU  31          1HD2      LEU  31 -10.846 -11.018   8.802
  249   3HD2  LEU  31          3HD2      LEU  31 -11.387 -10.742   7.144
  250    MD1  LEU  31           QD1      LEU  31  -8.973  -9.828   5.784
  251    MD2  LEU  31           QD2      LEU  31 -10.809 -11.252   7.812
  252    QB   LEU  31           QB       LEU  31  -8.215 -10.905   8.831
  253    QD   LEU  31           QQD      LEU  31  -9.891 -10.540   6.798
  254    H    ARG  32           H        ARG  32  -7.554  -9.005  11.012
  255    HA   ARG  32           HA       ARG  32  -9.111  -6.726  10.533
  256   1HB   ARG  32          2HB       ARG  32  -9.337  -7.871  12.687
  257   2HB   ARG  32          1HB       ARG  32  -7.693  -7.403  13.135
  258   1HG   ARG  32          2HG       ARG  32  -9.258  -5.900  14.217
  259   2HG   ARG  32          1HG       ARG  32  -8.371  -5.035  12.949
  260   1HD   ARG  32          2HD       ARG  32 -10.436  -5.747  11.453
  261   2HD   ARG  32          1HD       ARG  32 -11.214  -5.883  13.023
  262    HE   ARG  32           HE       ARG  32 -10.101  -3.467  13.162
  263   1HH1  ARG  32          1HH1      ARG  32 -12.286  -5.000  10.793
  264   2HH1  ARG  32          2HH1      ARG  32 -12.794  -3.510  10.122
  265   1HH2  ARG  32          1HH2      ARG  32 -10.847  -1.440  12.207
  266   2HH2  ARG  32          2HH2      ARG  32 -11.972  -1.495  10.926
  267    QB   ARG  32           QB       ARG  32  -8.515  -7.637  12.911
  268    QG   ARG  32           QG       ARG  32  -8.814  -5.467  13.583
  269    QD   ARG  32           QD       ARG  32 -10.825  -5.815  12.238
  270    QH1  ARG  32           QH1      ARG  32 -12.540  -4.255  10.457
  271    QH2  ARG  32           QH2      ARG  32 -11.410  -1.467  11.566
  272    H    ASP  33           H        ASP  33  -5.736  -7.157  11.001
  273    HA   ASP  33           HA       ASP  33  -5.085  -4.445  11.245
  274   1HB   ASP  33          2HB       ASP  33  -3.554  -6.899  10.620
  275   2HB   ASP  33          1HB       ASP  33  -2.821  -5.369  10.175
  276    QB   ASP  33           QB       ASP  33  -3.188  -6.134  10.397
  277    H    LEU  34           H        LEU  34  -5.615  -6.498   8.355
  278    HA   LEU  34           HA       LEU  34  -4.685  -4.423   6.527
  279   1HB   LEU  34          2HB       LEU  34  -6.560  -6.736   5.998
  280   2HB   LEU  34          1HB       LEU  34  -6.121  -5.572   4.780
  281    HG   LEU  34           HG       LEU  34  -4.891  -7.576   4.423
  282   1HD1  LEU  34          2HD1      LEU  34  -3.698  -5.504   3.989
  283   2HD1  LEU  34          1HD1      LEU  34  -3.072  -5.515   5.638
  284   3HD1  LEU  34          3HD1      LEU  34  -2.605  -6.785   4.514
  285   1HD2  LEU  34          3HD2      LEU  34  -5.129  -8.307   6.733
  286   2HD2  LEU  34          2HD2      LEU  34  -3.490  -8.599   6.061
  287   3HD2  LEU  34          1HD2      LEU  34  -3.818  -7.230   7.164
  288    MD1  LEU  34           QD1      LEU  34  -3.125  -5.935   4.714
  289    MD2  LEU  34           QD2      LEU  34  -4.146  -8.045   6.653
  290    QB   LEU  34           QB       LEU  34  -6.340  -6.154   5.389
  291    QD   LEU  34           QQD      LEU  34  -3.635  -6.990   5.683
  292    H    LEU  35           H        LEU  35  -7.665  -5.352   7.840
  293    HA   LEU  35           HA       LEU  35  -9.244  -3.479   6.402
  294   1HB   LEU  35          2HB       LEU  35  -9.753  -5.189   8.823
  295   2HB   LEU  35          1HB       LEU  35 -10.957  -4.054   8.252
  296    HG   LEU  35           HG       LEU  35 -11.212  -6.512   7.546
  297   1HD1  LEU  35          3HD1      LEU  35 -12.457  -4.669   6.474
  298   2HD1  LEU  35          2HD1      LEU  35 -11.097  -4.383   5.390
  299   3HD1  LEU  35          1HD1      LEU  35 -11.999  -5.893   5.287
  300   1HD2  LEU  35          2HD2      LEU  35  -8.818  -6.825   6.912
  301   2HD2  LEU  35          1HD2      LEU  35  -9.923  -7.248   5.574
  302   3HD2  LEU  35          3HD2      LEU  35  -9.047  -5.714   5.614
  303    MD1  LEU  35           QD1      LEU  35 -11.851  -4.982   5.717
  304    MD2  LEU  35           QD2      LEU  35  -9.263  -6.595   6.033
  305    QB   LEU  35           QB       LEU  35 -10.355  -4.621   8.537
  306    QD   LEU  35           QQD      LEU  35 -10.557  -5.789   5.875
  307    H    ASP  36           H        ASP  36  -7.488  -3.334   9.289
  308    HA   ASP  36           HA       ASP  36  -8.547  -0.714  10.005
  309   1HB   ASP  36          2HB       ASP  36  -7.567  -2.248  11.752
  310   2HB   ASP  36          1HB       ASP  36  -5.978  -1.914  11.068
  311    QB   ASP  36           QB       ASP  36  -6.772  -2.081  11.410
  312    H    ILE  37           H        ILE  37  -5.654  -1.934   8.393
  313    HA   ILE  37           HA       ILE  37  -4.216   0.394   7.999
  314    HB   ILE  37           HB       ILE  37  -4.535  -2.003   6.171
  315   1HG1  ILE  37          2HG1      ILE  37  -2.048  -1.098   7.548
  316   2HG1  ILE  37          1HG1      ILE  37  -3.192  -2.057   8.443
  317   1HG2  ILE  37          1HG2      ILE  37  -4.004  -0.092   4.728
  318   2HG2  ILE  37          3HG2      ILE  37  -2.635   0.319   5.760
  319   3HG2  ILE  37          2HG2      ILE  37  -2.626  -1.187   4.843
  320   1HD1  ILE  37          3HD1      ILE  37  -1.870  -2.825   5.851
  321   2HD1  ILE  37          2HD1      ILE  37  -1.403  -3.388   7.461
  322   3HD1  ILE  37          1HD1      ILE  37  -2.959  -3.844   6.784
  323    MG   ILE  37           QG2      ILE  37  -3.089  -0.320   5.111
  324    MD   ILE  37           QD1      ILE  37  -2.077  -3.352   6.699
  325    QG   ILE  37           QG1      ILE  37  -2.620  -1.577   7.995
  326    H    VAL  38           H        VAL  38  -6.730  -0.928   5.878
  327    HA   VAL  38           HA       VAL  38  -6.695   1.084   3.987
  328    HB   VAL  38           HB       VAL  38  -8.015  -0.977   3.631
  329   1HG1  VAL  38          3HG1      VAL  38  -8.981  -1.271   5.806
  330   2HG1  VAL  38          2HG1      VAL  38 -10.013   0.137   5.557
  331   3HG1  VAL  38          1HG1      VAL  38 -10.223  -1.300   4.551
  332   1HG2  VAL  38          3HG2      VAL  38  -9.656   1.535   3.349
  333   2HG2  VAL  38          2HG2      VAL  38  -8.535   0.873   2.164
  334   3HG2  VAL  38          1HG2      VAL  38 -10.014   0.006   2.550
  335    MG1  VAL  38           QG1      VAL  38  -9.739  -0.811   5.305
  336    MG2  VAL  38           QG2      VAL  38  -9.402   0.805   2.687
  337    QG   VAL  38           QQG      VAL  38  -9.570  -0.003   3.996
  338    H    GLU  39           H        GLU  39  -8.400   1.098   7.026
  339    HA   GLU  39           HA       GLU  39  -9.814   3.524   6.648
  340   1HB   GLU  39          2HB       GLU  39  -8.950   2.143   9.191
  341   2HB   GLU  39          1HB       GLU  39 -10.147   3.416   9.095
  342   1HG   GLU  39          2HG       GLU  39 -10.355   0.682   7.857
  343   2HG   GLU  39          1HG       GLU  39 -11.174   1.228   9.318
  344    QB   GLU  39           QB       GLU  39  -9.548   2.780   9.143
  345    QG   GLU  39           QG       GLU  39 -10.765   0.955   8.587
  346    H    THR  40           H        THR  40  -7.008   2.751   8.676
  347    HA   THR  40           HA       THR  40  -6.426   5.333   9.514
  348    HB   THR  40           HB       THR  40  -4.514   2.984   9.283
  349    HG1  THR  40          1HG       THR  40  -5.805   2.113  10.776
  350   1HG2  THR  40          3HG2      THR  40  -3.414   5.143   9.807
  351   2HG2  THR  40          2HG2      THR  40  -4.524   5.364  11.160
  352   3HG2  THR  40          1HG2      THR  40  -3.364   4.037  11.183
  353    MG   THR  40           QG2      THR  40  -3.767   4.848  10.717
  354    H    SER  41           H        SER  41  -5.283   3.570   6.659
  355    HA   SER  41           HA       SER  41  -3.163   5.376   6.162
  356   1HB   SER  41          2HB       SER  41  -2.880   4.182   4.024
  357   2HB   SER  41          1HB       SER  41  -2.965   3.093   5.413
  358    HG   SER  41           HG       SER  41  -4.948   2.457   4.812
  359    QB   SER  41           QB       SER  41  -2.923   3.637   4.719
  360    H    GLN  42           H        GLN  42  -6.325   4.934   4.514
  361    HA   GLN  42           HA       GLN  42  -5.771   6.953   2.617
  362   1HB   GLN  42          2HB       GLN  42  -8.038   6.808   1.926
  363   2HB   GLN  42          1HB       GLN  42  -7.473   5.197   2.333
  364   1HG   GLN  42          2HG       GLN  42  -8.587   5.451   4.538
  365   2HG   GLN  42          1HG       GLN  42  -9.284   6.952   3.935
  366   1HE2  GLN  42          1HE2      GLN  42 -10.610   4.652   4.785
  367   2HE2  GLN  42          2HE2      GLN  42 -11.487   4.016   3.428
  368    QB   GLN  42           QB       GLN  42  -7.755   6.002   2.129
  369    QG   GLN  42           QG       GLN  42  -8.935   6.201   4.237
  370    QE   GLN  42           QE2      GLN  42 -11.048   4.334   4.107
  371    H    ALA  43           H        ALA  43  -7.217   7.041   5.759
  372    HA   ALA  43           HA       ALA  43  -8.237   9.671   5.540
  373   1HB   ALA  43          2HB       ALA  43  -8.638   9.475   7.925
  374   2HB   ALA  43          3HB       ALA  43  -7.533   8.092   8.018
  375   3HB   ALA  43          1HB       ALA  43  -9.040   7.950   7.113
  376    MB   ALA  43           QB       ALA  43  -8.404   8.506   7.685
  377    H    HIS  44           H        HIS  44  -5.155   8.348   6.217
  378    HA   HIS  44           HA       HIS  44  -4.026  10.887   7.146
  379   1HB   HIS  44          2HB       HIS  44  -3.230   8.533   7.939
  380   2HB   HIS  44          1HB       HIS  44  -2.606   8.410   6.293
  381    HD1  HIS  44          1HD       HIS  44  -1.870  10.015   9.590
  382    HD2  HIS  44          2HD       HIS  44  -0.256   9.891   5.753
  383    HE1  HIS  44          1HE       HIS  44   0.428  10.937   9.774
  384    HE2  HIS  44          2HE       HIS  44   1.417  10.835   7.555
  385    QB   HIS  44           QB       HIS  44  -2.918   8.471   7.116
  386    H    ASN  45           H        ASN  45  -4.034   8.768   4.339
  387    HA   ASN  45           HA       ASN  45  -2.212  10.204   2.786
  388   1HB   ASN  45          2HB       ASN  45  -4.456   8.366   1.924
  389   2HB   ASN  45          1HB       ASN  45  -3.297   9.059   0.804
  390   1HD2  ASN  45          1HD2      ASN  45  -3.784   6.251   1.406
  391   2HD2  ASN  45          2HD2      ASN  45  -2.274   5.628   1.943
  392    QB   ASN  45           QB       ASN  45  -3.876   8.713   1.364
  393    QD   ASN  45           QD2      ASN  45  -3.029   5.939   1.674
  394    H    ALA  46           H        ALA  46  -5.742  10.400   2.934
  395    HA   ALA  46           HA       ALA  46  -6.110  12.350   0.963
  396   1HB   ALA  46          3HB       ALA  46  -8.232  12.812   2.064
  397   2HB   ALA  46          1HB       ALA  46  -7.659  11.986   3.511
  398   3HB   ALA  46          2HB       ALA  46  -7.937  11.075   2.018
  399    MB   ALA  46           QB       ALA  46  -7.943  11.958   2.531
  400    H    ARG  47           H        ARG  47  -5.412  12.599   4.381
  401    HA   ARG  47           HA       ARG  47  -5.560  15.411   4.581
  402   1HB   ARG  47          2HB       ARG  47  -5.643  13.778   6.514
  403   2HB   ARG  47          1HB       ARG  47  -3.927  13.515   6.165
  404   1HG   ARG  47          2HG       ARG  47  -3.338  15.722   6.750
  405   2HG   ARG  47          1HG       ARG  47  -5.031  16.186   6.975
  406   1HD   ARG  47          2HD       ARG  47  -5.215  14.676   8.859
  407   2HD   ARG  47          1HD       ARG  47  -3.582  14.078   8.574
  408    HE   ARG  47           HE       ARG  47  -3.536  16.868   8.944
  409   1HH1  ARG  47          1HH1      ARG  47  -3.981  13.900  10.830
  410   2HH1  ARG  47          2HH1      ARG  47  -3.334  14.546  12.265
  411   1HH2  ARG  47          1HH2      ARG  47  -2.637  17.733  10.915
  412   2HH2  ARG  47          2HH2      ARG  47  -2.555  16.801  12.318
  413    QB   ARG  47           QB       ARG  47  -4.785  13.646   6.340
  414    QG   ARG  47           QG       ARG  47  -4.184  15.954   6.862
  415    QD   ARG  47           QD       ARG  47  -4.399  14.377   8.716
  416    QH1  ARG  47           QH1      ARG  47  -3.657  14.223  11.548
  417    QH2  ARG  47           QH2      ARG  47  -2.596  17.267  11.617
  418    H    ALA  48           H        ALA  48  -2.866  13.129   4.176
  419    HA   ALA  48           HA       ALA  48  -1.126  15.312   4.115
  420   1HB   ALA  48          1HB       ALA  48  -0.387  13.251   5.154
  421   2HB   ALA  48          2HB       ALA  48   0.691  13.799   3.866
  422   3HB   ALA  48          3HB       ALA  48  -0.406  12.437   3.576
  423    MB   ALA  48           QB       ALA  48  -0.034  13.162   4.199
  424    H    GLN  49           H        GLN  49  -3.131  14.207   1.815
  425    HA   GLN  49           HA       GLN  49  -3.511  14.883  -0.337
  426   1HB   GLN  49          2HB       GLN  49  -0.783  16.122  -0.133
  427   2HB   GLN  49          1HB       GLN  49  -1.967  16.479  -1.419
  428   1HG   GLN  49          2HG       GLN  49  -3.224  17.713   0.039
  429   2HG   GLN  49          1HG       GLN  49  -2.640  16.668   1.366
  430   1HE2  GLN  49          1HE2      GLN  49  -0.840  17.124   2.425
  431   2HE2  GLN  49          2HE2      GLN  49   0.125  18.521   2.280
  432    QB   GLN  49           QB       GLN  49  -1.375  16.300  -0.776
  433    QG   GLN  49           QG       GLN  49  -2.932  17.191   0.703
  434    QE   GLN  49           QE2      GLN  49  -0.357  17.822   2.352
  435    H    LEU  50           H        LEU  50  -2.268  12.485   0.423
  436    HA   LEU  50           HA       LEU  50  -0.561  11.667  -1.785
  437   1HB   LEU  50          2HB       LEU  50  -1.401  10.445   0.781
  438   2HB   LEU  50          1HB       LEU  50  -0.824   9.397  -0.498
  439    HG   LEU  50           HG       LEU  50   1.270  10.525  -0.544
  440   1HD1  LEU  50          3HD1      LEU  50   0.631  12.763   0.025
  441   2HD1  LEU  50          2HD1      LEU  50   0.243  12.259   1.665
  442   3HD1  LEU  50          1HD1      LEU  50   1.915  12.202   1.096
  443   1HD2  LEU  50          1HD2      LEU  50   0.982   8.680   1.011
  444   2HD2  LEU  50          3HD2      LEU  50   2.170   9.859   1.562
  445   3HD2  LEU  50          2HD2      LEU  50   0.552   9.845   2.279
  446    MD1  LEU  50           QD1      LEU  50   0.930  12.408   0.929
  447    MD2  LEU  50           QD2      LEU  50   1.235   9.462   1.617
  448    QB   LEU  50           QB       LEU  50  -1.113   9.921   0.141
  449    QD   LEU  50           QQD      LEU  50   1.082  10.935   1.273
  450    H    THR  51           H        THR  51  -1.100  10.476  -3.483
  451    HA   THR  51           HA       THR  51  -3.773   9.356  -3.680
  452    HB   THR  51           HB       THR  51  -3.451   9.693  -6.138
  453    HG1  THR  51          1HG       THR  51  -1.335  10.035  -6.658
  454   1HG2  THR  51          1HG2      THR  51  -4.536  11.210  -4.588
  455   2HG2  THR  51          3HG2      THR  51  -3.015  12.095  -4.407
  456   3HG2  THR  51          2HG2      THR  51  -3.830  12.064  -5.992
  457    MG   THR  51           QG2      THR  51  -3.793  11.790  -4.995
  458    H    GLY  52           H        GLY  52  -3.957   7.241  -4.614
  459   1HA   GLY  52          1HA       GLY  52  -2.292   5.566  -3.224
  460   2HA   GLY  52          2HA       GLY  52  -1.629   5.639  -4.850
  461    QA   GLY  52           QA       GLY  52  -1.961   5.603  -4.037
  462    H    ALA  53           H        ALA  53  -2.068   3.399  -4.346
  463    HA   ALA  53           HA       ALA  53  -4.650   2.393  -4.161
  464   1HB   ALA  53          2HB       ALA  53  -4.826   1.157  -6.309
  465   2HB   ALA  53          3HB       ALA  53  -3.378   1.991  -6.882
  466   3HB   ALA  53          1HB       ALA  53  -4.842   2.907  -6.548
  467    MB   ALA  53           QB       ALA  53  -4.349   2.018  -6.580
  468    H    LEU  54           H        LEU  54  -4.634   0.498  -3.331
  469    HA   LEU  54           HA       LEU  54  -2.071  -0.902  -3.056
  470   1HB   LEU  54          2HB       LEU  54  -2.993   0.086  -0.978
  471   2HB   LEU  54          1HB       LEU  54  -4.508  -0.714  -1.239
  472    HG   LEU  54           HG       LEU  54  -3.321  -1.713   0.612
  473   1HD1  LEU  54          3HD1      LEU  54  -4.651  -3.299  -0.666
  474   2HD1  LEU  54          2HD1      LEU  54  -3.253  -3.664  -1.653
  475   3HD1  LEU  54          1HD1      LEU  54  -3.242  -4.068   0.055
  476   1HD2  LEU  54          1HD2      LEU  54  -1.073  -2.201  -1.300
  477   2HD2  LEU  54          3HD2      LEU  54  -1.098  -1.130   0.105
  478   3HD2  LEU  54          2HD2      LEU  54  -1.182  -2.879   0.322
  479    MD1  LEU  54           QD1      LEU  54  -3.715  -3.677  -0.754
  480    MD2  LEU  54           QD2      LEU  54  -1.117  -2.070  -0.291
  481    QB   LEU  54           QB       LEU  54  -3.751  -0.314  -1.108
  482    QD   LEU  54           QQD      LEU  54  -2.416  -2.873  -0.523
  483    H    PHE  55           H        PHE  55  -2.026  -2.836  -3.902
  484    HA   PHE  55           HA       PHE  55  -4.516  -4.238  -4.558
  485   1HB   PHE  55          2HB       PHE  55  -1.792  -4.477  -5.854
  486   2HB   PHE  55          1HB       PHE  55  -3.229  -5.391  -6.297
  487    HD1  PHE  55          1HD       PHE  55  -5.192  -4.148  -7.248
  488    HD2  PHE  55          2HD       PHE  55  -1.376  -2.382  -6.717
  489    HE1  PHE  55          1HE       PHE  55  -5.780  -2.407  -8.877
  490    HE2  PHE  55          2HE       PHE  55  -1.943  -0.650  -8.372
  491    HZ   PHE  55           HZ       PHE  55  -4.154  -0.654  -9.437
  492    QB   PHE  55           QB       PHE  55  -2.511  -4.934  -6.075
  493    QD   PHE  55           QD       PHE  55  -3.284  -3.265  -6.982
  494    QE   PHE  55           QE       PHE  55  -3.861  -1.529  -8.625
  495    QR   PHE  55           QR       PHE  55  -3.689  -2.048  -8.130
  496    H    TYR  56           H        TYR  56  -4.691  -6.262  -3.751
  497    HA   TYR  56           HA       TYR  56  -2.387  -7.532  -2.626
  498   1HB   TYR  56          2HB       TYR  56  -3.309  -6.213  -0.723
  499   2HB   TYR  56          1HB       TYR  56  -4.893  -6.892  -1.001
  500    HD1  TYR  56          1HD       TYR  56  -3.363  -9.821  -1.392
  501    HD2  TYR  56          2HD       TYR  56  -3.604  -6.861   1.652
  502    HE1  TYR  56          1HE       TYR  56  -2.945 -11.544   0.301
  503    HE2  TYR  56          2HE       TYR  56  -3.170  -8.584   3.351
  504    HH   TYR  56           HH       TYR  56  -3.489 -11.011   3.559
  505    QB   TYR  56           QB       TYR  56  -4.101  -6.552  -0.862
  506    QD   TYR  56           QD       TYR  56  -3.484  -8.341   0.130
  507    QE   TYR  56           QE       TYR  56  -3.057 -10.064   1.826
  508    QR   TYR  56           QR       TYR  56  -3.271  -9.203   0.978
  509    H    SER  57           H        SER  57  -2.614  -9.433  -3.783
  510    HA   SER  57           HA       SER  57  -4.838 -11.088  -3.407
  511   1HB   SER  57          2HB       SER  57  -5.345 -11.303  -5.871
  512   2HB   SER  57          1HB       SER  57  -5.853  -9.764  -5.175
  513    HG   SER  57           HG       SER  57  -4.879  -9.329  -7.039
  514    QB   SER  57           QB       SER  57  -5.599 -10.533  -5.523
  515    H    GLN  58           H        GLN  58  -4.250 -13.218  -4.085
  516    HA   GLN  58           HA       GLN  58  -2.872 -14.934  -4.704
  517   1HB   GLN  58          2HB       GLN  58  -1.448 -12.742  -6.214
  518   2HB   GLN  58          1HB       GLN  58  -1.057 -14.445  -6.372
  519   1HG   GLN  58          2HG       GLN  58  -3.210 -14.899  -7.332
  520   2HG   GLN  58          1HG       GLN  58  -3.765 -13.269  -6.958
  521   1HE2  GLN  58          1HE2      GLN  58  -3.606 -14.681  -9.512
  522   2HE2  GLN  58          2HE2      GLN  58  -2.651 -13.679 -10.532
  523    QB   GLN  58           QB       GLN  58  -1.253 -13.593  -6.293
  524    QG   GLN  58           QG       GLN  58  -3.488 -14.084  -7.145
  525    QE   GLN  58           QE2      GLN  58  -3.129 -14.180 -10.022
  526    H    GLY  59           H        GLY  59  -2.298 -12.979  -2.428
  527   1HA   GLY  59          1HA       GLY  59   0.188 -14.210  -1.587
  528   2HA   GLY  59          2HA       GLY  59  -0.862 -13.196  -0.609
  529    QA   GLY  59           QA       GLY  59  -0.337 -13.703  -1.098
  530    H    VAL  60           H        VAL  60  -0.208 -11.712  -3.577
  531    HA   VAL  60           HA       VAL  60   2.234 -10.547  -2.539
  532    HB   VAL  60           HB       VAL  60   2.680  -9.583  -4.686
  533   1HG1  VAL  60          1HG1      VAL  60   1.782 -12.430  -5.015
  534   2HG1  VAL  60          3HG1      VAL  60   2.852 -11.556  -6.115
  535   3HG1  VAL  60          2HG1      VAL  60   3.351 -11.860  -4.450
  536   1HG2  VAL  60          1HG2      VAL  60  -0.027 -10.592  -5.588
  537   2HG2  VAL  60          3HG2      VAL  60   0.456  -8.901  -5.414
  538   3HG2  VAL  60          2HG2      VAL  60   1.197  -9.915  -6.656
  539    MG1  VAL  60           QG1      VAL  60   2.662 -11.949  -5.194
  540    MG2  VAL  60           QG2      VAL  60   0.542  -9.802  -5.886
  541    QG   VAL  60           QQG      VAL  60   1.602 -10.876  -5.540
  542    H    PHE  61           H        PHE  61   2.437  -8.546  -1.860
  543    HA   PHE  61           HA       PHE  61  -0.012  -6.954  -1.560
  544   1HB   PHE  61          2HB       PHE  61   1.984  -7.802   0.102
  545   2HB   PHE  61          1HB       PHE  61   2.516  -6.205  -0.376
  546    HD1  PHE  61          1HD       PHE  61   2.038  -7.069   2.303
  547    HD2  PHE  61          2HD       PHE  61  -0.611  -5.320  -0.495
  548    HE1  PHE  61          1HE       PHE  61   0.705  -6.188   4.134
  549    HE2  PHE  61          2HE       PHE  61  -1.953  -4.427   1.393
  550    HZ   PHE  61           HZ       PHE  61  -1.226  -4.878   3.684
  551    QB   PHE  61           QB       PHE  61   2.250  -7.003  -0.137
  552    QD   PHE  61           QD       PHE  61   0.714  -6.194   0.904
  553    QE   PHE  61           QE       PHE  61  -0.624  -5.308   2.764
  554    QR   PHE  61           QR       PHE  61  -0.209  -5.576   2.204
  555    H    PHE  62           H        PHE  62  -0.087  -5.138  -3.020
  556    HA   PHE  62           HA       PHE  62   2.511  -3.994  -3.534
  557   1HB   PHE  62          2HB       PHE  62   1.881  -5.163  -5.600
  558   2HB   PHE  62          1HB       PHE  62   0.392  -4.216  -5.680
  559    HD1  PHE  62          1HD       PHE  62   0.466  -1.817  -6.299
  560    HD2  PHE  62          2HD       PHE  62   3.997  -4.191  -6.152
  561    HE1  PHE  62          1HE       PHE  62   1.705  -0.056  -7.525
  562    HE2  PHE  62          2HE       PHE  62   5.211  -2.452  -7.377
  563    HZ   PHE  62           HZ       PHE  62   4.062  -0.396  -8.049
  564    QB   PHE  62           QB       PHE  62   1.136  -4.690  -5.640
  565    QD   PHE  62           QD       PHE  62   2.231  -3.004  -6.226
  566    QE   PHE  62           QE       PHE  62   3.458  -1.254  -7.451
  567    QR   PHE  62           QR       PHE  62   3.088  -1.783  -7.080
  568    H    GLN  63           H        GLN  63   2.620  -1.862  -3.045
  569    HA   GLN  63           HA       GLN  63   0.198  -0.290  -3.400
  570   1HB   GLN  63          2HB       GLN  63   0.522  -0.877  -0.927
  571   2HB   GLN  63          1HB       GLN  63   1.966   0.111  -1.011
  572   1HG   GLN  63          2HG       GLN  63   0.443   1.929  -2.022
  573   2HG   GLN  63          1HG       GLN  63  -0.873   0.984  -1.348
  574   1HE2  GLN  63          1HE2      GLN  63   0.015   3.645  -0.787
  575   2HE2  GLN  63          2HE2      GLN  63   0.327   3.692   0.916
  576    QB   GLN  63           QB       GLN  63   1.244  -0.383  -0.969
  577    QG   GLN  63           QG       GLN  63  -0.215   1.457  -1.685
  578    QE   GLN  63           QE2      GLN  63   0.171   3.669   0.064
  579    H    TRP  64           H        TRP  64   0.666   1.753  -4.076
  580    HA   TRP  64           HA       TRP  64   3.339   2.627  -3.622
  581   1HB   TRP  64          2HB       TRP  64   3.789   3.273  -5.836
  582   2HB   TRP  64          1HB       TRP  64   2.939   1.710  -6.041
  583    HD1  TRP  64           HD       TRP  64   3.121   5.219  -7.025
  584    HE1  TRP  64          1HE       TRP  64   1.214   5.825  -8.505
  585    HE3  TRP  64          3HE       TRP  64   0.268   1.102  -6.275
  586    HZ2  TRP  64          2HZ       TRP  64  -1.274   4.719  -9.299
  587    HZ3  TRP  64          3HZ       TRP  64  -1.874   0.958  -7.411
  588    HH2  TRP  64           HH       TRP  64  -2.636   2.721  -8.916
  589    QB   TRP  64           QB       TRP  64   3.364   2.491  -5.938
  590    H    LEU  65           H        LEU  65   3.383   4.982  -3.668
  591    HA   LEU  65           HA       LEU  65   0.772   6.214  -3.443
  592   1HB   LEU  65          2HB       LEU  65   1.330   7.268  -1.303
  593   2HB   LEU  65          1HB       LEU  65   1.161   5.532  -1.181
  594    HG   LEU  65           HG       LEU  65   3.834   6.785  -1.492
  595   1HD1  LEU  65          3HD1      LEU  65   2.234   6.386   1.037
  596   2HD1  LEU  65          2HD1      LEU  65   3.969   6.729   1.027
  597   3HD1  LEU  65          1HD1      LEU  65   2.819   7.914   0.393
  598   1HD2  LEU  65          2HD2      LEU  65   2.916   4.232  -0.150
  599   2HD2  LEU  65          1HD2      LEU  65   3.734   4.361  -1.704
  600   3HD2  LEU  65          3HD2      LEU  65   4.585   4.796  -0.221
  601    MD1  LEU  65           QD1      LEU  65   3.007   7.010   0.819
  602    MD2  LEU  65           QD2      LEU  65   3.745   4.463  -0.692
  603    QB   LEU  65           QB       LEU  65   1.245   6.400  -1.242
  604    QD   LEU  65           QQD      LEU  65   3.376   5.736   0.064
  605    H    GLU  66           H        GLU  66   0.708   8.249  -3.992
  606    HA   GLU  66           HA       GLU  66   3.216   9.494  -4.895
  607   1HB   GLU  66          2HB       GLU  66   0.393  10.033  -5.806
  608   2HB   GLU  66          1HB       GLU  66   1.879  10.437  -6.651
  609   1HG   GLU  66          2HG       GLU  66   2.323   8.082  -7.048
  610   2HG   GLU  66          1HG       GLU  66   0.876   7.647  -6.155
  611    QB   GLU  66           QB       GLU  66   1.136  10.235  -6.229
  612    QG   GLU  66           QG       GLU  66   1.599   7.864  -6.601
  613    H    GLY  67           H        GLY  67   3.676  11.285  -3.677
  614   1HA   GLY  67          1HA       GLY  67   2.363  11.952  -1.382
  615   2HA   GLY  67          2HA       GLY  67   1.653  12.979  -2.634
  616    QA   GLY  67           QA       GLY  67   2.008  12.466  -2.008
  617    H    HIS  68           H        HIS  68   2.809  14.518  -0.919
  618    HA   HIS  68           HA       HIS  68   5.178  15.545  -2.113
  619   1HB   HIS  68          2HB       HIS  68   3.752  17.082  -0.894
  620   2HB   HIS  68          1HB       HIS  68   3.843  16.132   0.559
  621    HD1  HIS  68          1HD       HIS  68   5.794  16.543   2.148
  622    HD2  HIS  68          2HD       HIS  68   5.783  18.527  -1.419
  623    HE1  HIS  68          1HE       HIS  68   7.727  18.024   2.376
  624    HE2  HIS  68          2HE       HIS  68   7.868  19.244   0.097
  625    QB   HIS  68           QB       HIS  68   3.798  16.607  -0.167
  626    HA   PRO  69           HA       PRO  69   8.352  12.649  -1.038
  627   1HB   PRO  69          2HB       PRO  69   9.995  14.687   0.183
  628   2HB   PRO  69          1HB       PRO  69  10.239  13.813  -1.323
  629   1HG   PRO  69          2HG       PRO  69   9.056  16.461  -0.889
  630   2HG   PRO  69          1HG       PRO  69   9.686  15.744  -2.384
  631   1HD   PRO  69          2HD       PRO  69   7.071  16.192  -1.999
  632   2HD   PRO  69          1HD       PRO  69   7.642  14.785  -2.916
  633    QB   PRO  69           QB       PRO  69  10.117  14.250  -0.570
  634    QG   PRO  69           QG       PRO  69   9.371  16.102  -1.636
  635    QD   PRO  69           QD       PRO  69   7.356  15.488  -2.458
  636    H    ALA  70           H        ALA  70   8.096  15.004   1.591
  637    HA   ALA  70           HA       ALA  70   9.036  13.060   3.424
  638   1HB   ALA  70          1HB       ALA  70   9.558  15.303   3.858
  639   2HB   ALA  70          2HB       ALA  70   8.468  14.688   5.140
  640   3HB   ALA  70          3HB       ALA  70   7.837  15.731   3.830
  641    MB   ALA  70           QB       ALA  70   8.621  15.240   4.276
  642    H    ALA  71           H        ALA  71   5.939  13.818   2.411
  643    HA   ALA  71           HA       ALA  71   4.611  12.660   4.625
  644   1HB   ALA  71          1HB       ALA  71   3.861  12.818   1.778
  645   2HB   ALA  71          3HB       ALA  71   2.712  12.514   3.090
  646   3HB   ALA  71          2HB       ALA  71   3.547  14.101   2.967
  647    MB   ALA  71           QB       ALA  71   3.373  13.144   2.612
  648    H    VAL  72           H        VAL  72   5.710  11.668   1.522
  649    HA   VAL  72           HA       VAL  72   4.866   8.954   1.473
  650    HB   VAL  72           HB       VAL  72   7.439   9.701   0.189
  651   1HG1  VAL  72          1HG1      VAL  72   6.436   7.584  -0.210
  652   2HG1  VAL  72          3HG1      VAL  72   4.976   8.417  -0.770
  653   3HG1  VAL  72          2HG1      VAL  72   6.492   8.570  -1.696
  654   1HG2  VAL  72          3HG2      VAL  72   4.851  10.959  -0.699
  655   2HG2  VAL  72          2HG2      VAL  72   6.331  11.748  -0.125
  656   3HG2  VAL  72          1HG2      VAL  72   6.349  10.881  -1.657
  657    MG1  VAL  72           QG1      VAL  72   5.968   8.190  -0.892
  658    MG2  VAL  72           QG2      VAL  72   5.844  11.196  -0.827
  659    QG   VAL  72           QQG      VAL  72   5.906   9.693  -0.859
  660    H    ALA  73           H        ALA  73   7.831  10.562   2.463
  661    HA   ALA  73           HA       ALA  73   9.124   8.172   3.187
  662   1HB   ALA  73          3HB       ALA  73   9.728  10.961   4.028
  663   2HB   ALA  73          2HB       ALA  73  10.754   9.470   4.183
  664   3HB   ALA  73          1HB       ALA  73  10.344  10.110   2.578
  665    MB   ALA  73           QB       ALA  73  10.275  10.180   3.596
  666    H    GLU  74           H        GLU  74   7.301  10.530   5.033
  667    HA   GLU  74           HA       GLU  74   7.610   9.513   7.660
  668   1HB   GLU  74          2HB       GLU  74   6.405  11.603   7.017
  669   2HB   GLU  74          1HB       GLU  74   5.166  10.624   6.267
  670   1HG   GLU  74          2HG       GLU  74   4.640   9.692   8.500
  671   2HG   GLU  74          1HG       GLU  74   5.798  10.838   9.192
  672    QB   GLU  74           QB       GLU  74   5.785  11.113   6.642
  673    QG   GLU  74           QG       GLU  74   5.219  10.265   8.846
  674    H    VAL  75           H        VAL  75   5.417   8.696   5.104
  675    HA   VAL  75           HA       VAL  75   4.246   6.488   6.309
  676    HB   VAL  75           HB       VAL  75   4.609   7.355   3.436
  677   1HG1  VAL  75          1HG1      VAL  75   4.527   4.955   3.422
  678   2HG1  VAL  75          3HG1      VAL  75   3.029   4.968   4.376
  679   3HG1  VAL  75          2HG1      VAL  75   3.080   5.682   2.744
  680   1HG2  VAL  75          2HG2      VAL  75   3.085   8.663   4.791
  681   2HG2  VAL  75          1HG2      VAL  75   2.204   7.755   3.565
  682   3HG2  VAL  75          3HG2      VAL  75   2.207   7.197   5.237
  683    MG1  VAL  75           QG1      VAL  75   3.545   5.202   3.514
  684    MG2  VAL  75           QG2      VAL  75   2.499   7.872   4.531
  685    QG   VAL  75           QQG      VAL  75   3.022   6.537   4.023
  686    H    MET  76           H        MET  76   7.054   6.648   3.981
  687    HA   MET  76           HA       MET  76   7.728   4.023   3.987
  688   1HB   MET  76          2HB       MET  76   9.599   6.376   3.869
  689   2HB   MET  76          1HB       MET  76  10.058   4.752   3.453
  690   1HG   MET  76          2HG       MET  76   7.803   6.052   2.182
  691   2HG   MET  76          1HG       MET  76   9.426   6.435   1.551
  692   1HE   MET  76          3HE       MET  76   6.478   4.273   2.003
  693   2HE   MET  76          2HE       MET  76   6.679   2.827   0.985
  694   3HE   MET  76          1HE       MET  76   7.521   2.969   2.550
  695    QB   MET  76           QB       MET  76   9.829   5.564   3.661
  696    QG   MET  76           QG       MET  76   8.614   6.244   1.866
  697    ME   MET  76           QE       MET  76   6.893   3.356   1.846
  698    H    SER  77           H        SER  77   8.983   6.445   6.280
  699    HA   SER  77           HA       SER  77  10.694   4.717   7.671
  700   1HB   SER  77          2HB       SER  77   9.106   6.982   8.913
  701   2HB   SER  77          1HB       SER  77  10.654   6.335   9.456
  702    HG   SER  77           HG       SER  77  10.958   7.045   6.936
  703    QB   SER  77           QB       SER  77   9.880   6.658   9.184
  704    H    HIS  78           H        HIS  78   7.293   5.378   8.239
  705    HA   HIS  78           HA       HIS  78   7.119   3.530  10.431
  706   1HB   HIS  78          2HB       HIS  78   4.989   4.675   8.640
  707   2HB   HIS  78          1HB       HIS  78   4.646   3.498   9.900
  708    HD1  HIS  78          1HD       HIS  78   5.533   7.092   9.384
  709    HD2  HIS  78          2HD       HIS  78   4.840   4.461  12.519
  710    HE1  HIS  78          1HE       HIS  78   5.180   8.529  11.417
  711    HE2  HIS  78          2HE       HIS  78   4.430   6.884  13.178
  712    QB   HIS  78           QB       HIS  78   4.818   4.086   9.270
  713    H    ILE  79           H        ILE  79   6.559   3.188   7.040
  714    HA   ILE  79           HA       ILE  79   5.610   0.517   7.119
  715    HB   ILE  79           HB       ILE  79   6.265   2.550   5.119
  716   1HG1  ILE  79          2HG1      ILE  79   3.929   0.688   5.469
  717   2HG1  ILE  79          1HG1      ILE  79   4.046   2.369   5.972
  718   1HG2  ILE  79          1HG2      ILE  79   6.517  -0.283   4.433
  719   2HG2  ILE  79          3HG2      ILE  79   5.834   0.832   3.254
  720   3HG2  ILE  79          2HG2      ILE  79   7.454   1.112   3.893
  721   1HD1  ILE  79          3HD1      ILE  79   4.305   2.976   3.593
  722   2HD1  ILE  79          2HD1      ILE  79   3.942   1.295   3.182
  723   3HD1  ILE  79          1HD1      ILE  79   2.738   2.277   4.029
  724    MG   ILE  79           QG2      ILE  79   6.602   0.554   3.860
  725    MD   ILE  79           QD1      ILE  79   3.661   2.183   3.602
  726    QG   ILE  79           QG1      ILE  79   3.988   1.529   5.721
  727    H    GLN  80           H        GLN  80   8.798   1.796   6.352
  728    HA   GLN  80           HA       GLN  80  10.006  -0.712   6.049
  729   1HB   GLN  80          2HB       GLN  80  11.124   2.049   6.520
  730   2HB   GLN  80          1HB       GLN  80  12.074   0.646   6.027
  731   1HG   GLN  80          2HG       GLN  80   9.836   1.931   4.365
  732   2HG   GLN  80          1HG       GLN  80  11.494   1.997   4.017
  733   1HE2  GLN  80          1HE2      GLN  80   8.867  -0.016   4.068
  734   2HE2  GLN  80          2HE2      GLN  80   9.687  -1.187   3.075
  735    QB   GLN  80           QB       GLN  80  11.599   1.348   6.274
  736    QG   GLN  80           QG       GLN  80  10.665   1.964   4.191
  737    QE   GLN  80           QE2      GLN  80   9.277  -0.601   3.572
  738    H    ARG  81           H        ARG  81   8.796   0.684   8.756
  739    HA   ARG  81           HA       ARG  81  10.543  -0.893  10.518
  740   1HB   ARG  81          2HB       ARG  81   8.334   1.110  11.072
  741   2HB   ARG  81          1HB       ARG  81   9.039   0.128  12.334
  742   1HG   ARG  81          2HG       ARG  81  10.454   2.194  10.684
  743   2HG   ARG  81          1HG       ARG  81   9.926   2.303  12.369
  744   1HD   ARG  81          2HD       ARG  81  11.420   0.465  12.966
  745   2HD   ARG  81          1HD       ARG  81  11.957   0.378  11.290
  746    HE   ARG  81           HE       ARG  81  12.361   2.967  12.092
  747   1HH1  ARG  81          1HH1      ARG  81  13.506  -0.192  13.157
  748   2HH1  ARG  81          2HH1      ARG  81  15.082   0.328  13.506
  749   1HH2  ARG  81          1HH2      ARG  81  14.514   3.731  12.657
  750   2HH2  ARG  81          2HH2      ARG  81  15.642   2.618  13.266
  751    QB   ARG  81           QB       ARG  81   8.686   0.619  11.703
  752    QG   ARG  81           QG       ARG  81  10.190   2.249  11.527
  753    QD   ARG  81           QD       ARG  81  11.689   0.422  12.128
  754    QH1  ARG  81           QH1      ARG  81  14.294   0.068  13.332
  755    QH2  ARG  81           QH2      ARG  81  15.078   3.175  12.962
  756    H    ASP  82           H        ASP  82   8.973  -1.926   8.484
  757    HA   ASP  82           HA       ASP  82   6.624  -2.703   8.355
  758   1HB   ASP  82          2HB       ASP  82   7.069  -4.819   7.701
  759   2HB   ASP  82          1HB       ASP  82   8.163  -3.699   6.878
  760    QB   ASP  82           QB       ASP  82   7.616  -4.259   7.289
  761    H    ARG  83           H        ARG  83   5.073  -3.818   8.932
  762    HA   ARG  83           HA       ARG  83   5.164  -5.447  11.352
  763   1HB   ARG  83          2HB       ARG  83   3.385  -3.041  10.975
  764   2HB   ARG  83          1HB       ARG  83   3.306  -4.149  12.338
  765   1HG   ARG  83          2HG       ARG  83   5.499  -3.534  13.029
  766   2HG   ARG  83          1HG       ARG  83   5.703  -2.594  11.554
  767   1HD   ARG  83          2HD       ARG  83   3.888  -1.089  12.297
  768   2HD   ARG  83          1HD       ARG  83   3.761  -2.004  13.802
  769    HE   ARG  83           HE       ARG  83   6.307  -1.406  13.821
  770   1HH1  ARG  83          1HH1      ARG  83   3.548   0.710  13.131
  771   2HH1  ARG  83          2HH1      ARG  83   4.310   2.119  13.614
  772   1HH2  ARG  83          1HH2      ARG  83   7.368   0.535  14.544
  773   2HH2  ARG  83          2HH2      ARG  83   6.518   2.012  14.517
  774    QB   ARG  83           QB       ARG  83   3.345  -3.595  11.656
  775    QG   ARG  83           QG       ARG  83   5.601  -3.064  12.292
  776    QD   ARG  83           QD       ARG  83   3.825  -1.546  13.050
  777    QH1  ARG  83           QH1      ARG  83   3.929   1.414  13.372
  778    QH2  ARG  83           QH2      ARG  83   6.943   1.274  14.531
  779    H    ARG  84           H        ARG  84   2.634  -3.880   9.351
  780    HA   ARG  84           HA       ARG  84   1.328  -6.470   9.232
  781   1HB   ARG  84          2HB       ARG  84   0.326  -3.811   8.254
  782   2HB   ARG  84          1HB       ARG  84  -0.600  -5.297   8.243
  783   1HG   ARG  84          2HG       ARG  84  -1.460  -4.125  10.004
  784   2HG   ARG  84          1HG       ARG  84  -0.290  -5.168  10.827
  785   1HD   ARG  84          2HD       ARG  84   1.227  -3.290  11.006
  786   2HD   ARG  84          1HD       ARG  84   0.164  -2.291  10.005
  787    HE   ARG  84           HE       ARG  84  -1.097  -3.409  12.311
  788   1HH1  ARG  84          1HH1      ARG  84   0.587  -0.487  11.078
  789   2HH1  ARG  84          2HH1      ARG  84   0.101   0.497  12.369
  790   1HH2  ARG  84          1HH2      ARG  84  -1.775  -1.981  14.067
  791   2HH2  ARG  84          2HH2      ARG  84  -1.293  -0.364  14.080
  792    QB   ARG  84           QB       ARG  84  -0.137  -4.554   8.248
  793    QG   ARG  84           QG       ARG  84  -0.875  -4.647  10.415
  794    QD   ARG  84           QD       ARG  84   0.695  -2.791  10.505
  795    QH1  ARG  84           QH1      ARG  84   0.344   0.005  11.723
  796    QH2  ARG  84           QH2      ARG  84  -1.534  -1.172  14.074
  797    H    HIS  85           H        HIS  85   3.650  -6.484   7.637
  798    HA   HIS  85           HA       HIS  85   2.673  -7.463   5.273
  799   1HB   HIS  85          2HB       HIS  85   4.042  -5.981   3.727
  800   2HB   HIS  85          1HB       HIS  85   2.501  -5.330   4.162
  801    HD1  HIS  85          1HD       HIS  85   3.416  -2.907   3.608
  802    HD2  HIS  85          2HD       HIS  85   5.507  -4.877   6.604
  803    HE1  HIS  85          1HE       HIS  85   4.934  -1.241   4.612
  804    HE2  HIS  85          2HE       HIS  85   6.237  -2.488   6.339
  805    QB   HIS  85           QB       HIS  85   3.271  -5.655   3.945
  806    H    SER  86           H        SER  86   4.506  -7.959   3.829
  807    HA   SER  86           HA       SER  86   6.483  -9.235   5.372
  808   1HB   SER  86          2HB       SER  86   5.278 -10.147   3.428
  809   2HB   SER  86          1HB       SER  86   5.861  -8.937   2.459
  810    HG   SER  86           HG       SER  86   7.303 -11.074   3.520
  811    QB   SER  86           QB       SER  86   5.570  -9.542   2.943
  812    H    ASN  87           H        ASN  87   8.395  -8.860   3.165
  813    HA   ASN  87           HA       ASN  87  10.441  -7.416   4.154
  814   1HB   ASN  87          2HB       ASN  87   9.913  -7.699   1.207
  815   2HB   ASN  87          1HB       ASN  87  11.468  -7.328   1.931
  816   1HD2  ASN  87          1HD2      ASN  87  10.736  -9.389   0.129
  817   2HD2  ASN  87          2HD2      ASN  87  11.061 -10.891   0.913
  818    QB   ASN  87           QB       ASN  87  10.690  -7.514   1.569
  819    QD   ASN  87           QD2      ASN  87  10.899 -10.140   0.521
  820    H    VAL  88           H        VAL  88   7.973  -6.184   2.500
  821    HA   VAL  88           HA       VAL  88   7.663  -4.457   1.215
  822    HB   VAL  88           HB       VAL  88   6.693  -3.934   3.132
  823   1HG1  VAL  88          2HG1      VAL  88   8.389  -4.173   4.667
  824   2HG1  VAL  88          1HG1      VAL  88   9.155  -2.601   4.236
  825   3HG1  VAL  88          3HG1      VAL  88   7.486  -2.629   4.889
  826   1HG2  VAL  88          1HG2      VAL  88   6.713  -2.178   1.432
  827   2HG2  VAL  88          3HG2      VAL  88   6.448  -1.570   3.042
  828   3HG2  VAL  88          2HG2      VAL  88   8.019  -1.352   2.306
  829    MG1  VAL  88           QG1      VAL  88   8.343  -3.134   4.597
  830    MG2  VAL  88           QG2      VAL  88   7.060  -1.700   2.260
  831    QG   VAL  88           QQG      VAL  88   7.702  -2.417   3.429
  832    H    GLU  89           H        GLU  89   9.029  -4.842  -0.157
  833    HA   GLU  89           HA       GLU  89  11.474  -3.300  -0.271
  834   1HB   GLU  89          2HB       GLU  89  10.159  -5.256  -2.081
  835   2HB   GLU  89          1HB       GLU  89  11.706  -4.527  -2.459
  836   1HG   GLU  89          2HG       GLU  89  12.787  -5.620  -0.761
  837   2HG   GLU  89          1HG       GLU  89  11.267  -5.917   0.083
  838    QB   GLU  89           QB       GLU  89  10.932  -4.891  -2.270
  839    QG   GLU  89           QG       GLU  89  12.027  -5.768  -0.339
  840    H    ILE  90           H        ILE  90  10.456  -1.322  -0.266
  841    HA   ILE  90           HA       ILE  90   8.944  -0.032  -2.248
  842    HB   ILE  90           HB       ILE  90  11.577   1.120  -1.441
  843   1HG1  ILE  90          2HG1      ILE  90  10.908   0.209   0.656
  844   2HG1  ILE  90          1HG1      ILE  90  10.631   1.941   0.707
  845   1HG2  ILE  90          3HG2      ILE  90   8.809   2.330  -1.612
  846   2HG2  ILE  90          2HG2      ILE  90  10.234   3.216  -1.177
  847   3HG2  ILE  90          1HG2      ILE  90  10.091   2.547  -2.812
  848   1HD1  ILE  90          1HD1      ILE  90   8.280   1.560   0.256
  849   2HD1  ILE  90          3HD1      ILE  90   8.578  -0.177   0.261
  850   3HD1  ILE  90          2HD1      ILE  90   8.820   0.762   1.746
  851    MG   ILE  90           QG2      ILE  90   9.711   2.698  -1.867
  852    MD   ILE  90           QD1      ILE  90   8.560   0.715   0.754
  853    QG   ILE  90           QG1      ILE  90  10.769   1.075   0.682
  854    H    LEU  91           H        LEU  91  12.253  -0.088  -2.333
  855    HA   LEU  91           HA       LEU  91  13.832  -0.311  -3.909
  856   1HB   LEU  91          2HB       LEU  91  11.726  -1.877  -5.387
  857   2HB   LEU  91          1HB       LEU  91  13.413  -1.783  -5.856
  858    HG   LEU  91           HG       LEU  91  12.375  -3.014  -3.276
  859   1HD1  LEU  91          1HD1      LEU  91  11.830  -4.315  -5.263
  860   2HD1  LEU  91          3HD1      LEU  91  13.522  -4.268  -5.761
  861   3HD1  LEU  91          2HD1      LEU  91  13.056  -5.111  -4.279
  862   1HD2  LEU  91          2HD2      LEU  91  15.148  -2.872  -4.447
  863   2HD2  LEU  91          1HD2      LEU  91  14.597  -2.019  -3.009
  864   3HD2  LEU  91          3HD2      LEU  91  14.676  -3.782  -3.015
  865    MD1  LEU  91           QD1      LEU  91  12.803  -4.565  -5.101
  866    MD2  LEU  91           QD2      LEU  91  14.807  -2.891  -3.490
  867    QB   LEU  91           QB       LEU  91  12.569  -1.830  -5.622
  868    QD   LEU  91           QQD      LEU  91  13.805  -3.728  -4.296
  869    H    ALA  92           H        ALA  92  10.804   1.048  -4.855
  870    HA   ALA  92           HA       ALA  92  12.291   2.626  -6.849
  871   1HB   ALA  92          3HB       ALA  92  10.868   1.091  -8.035
  872   2HB   ALA  92          1HB       ALA  92  10.266   2.740  -8.215
  873   3HB   ALA  92          2HB       ALA  92   9.472   1.623  -7.095
  874    MB   ALA  92           QB       ALA  92  10.202   1.818  -7.781
  875    H    GLU  93           H        GLU  93  12.484   4.587  -6.126
  876    HA   GLU  93           HA       GLU  93  10.101   5.915  -5.071
  877   1HB   GLU  93          2HB       GLU  93  12.951   6.487  -4.121
  878   2HB   GLU  93          1HB       GLU  93  11.430   7.166  -3.546
  879   1HG   GLU  93          2HG       GLU  93  10.750   5.244  -2.580
  880   2HG   GLU  93          1HG       GLU  93  12.098   4.307  -3.249
  881    QB   GLU  93           QB       GLU  93  12.191   6.826  -3.834
  882    QG   GLU  93           QG       GLU  93  11.424   4.776  -2.914
  883    H    GLU  94           H        GLU  94   9.573   7.283  -6.622
  884    HA   GLU  94           HA       GLU  94  11.728   8.590  -8.124
  885   1HB   GLU  94          2HB       GLU  94  10.055   8.712 -10.023
  886   2HB   GLU  94          1HB       GLU  94  10.692   7.118  -9.662
  887   1HG   GLU  94          2HG       GLU  94   8.656   6.537  -8.474
  888   2HG   GLU  94          1HG       GLU  94   8.015   8.160  -8.736
  889    QB   GLU  94           QB       GLU  94  10.373   7.915  -9.843
  890    QG   GLU  94           QG       GLU  94   8.336   7.348  -8.605
  891    H    SER  95           H        SER  95  11.642  10.753  -8.396
  892    HA   SER  95           HA       SER  95   9.793  12.281  -6.856
  893   1HB   SER  95          2HB       SER  95  11.078  14.163  -8.027
  894   2HB   SER  95          1HB       SER  95  12.012  13.080  -6.988
  895    HG   SER  95           HG       SER  95  12.126  13.445  -9.722
  896    QB   SER  95           QB       SER  95  11.545  13.621  -7.508
  897    H    ILE  96           H        ILE  96   7.896  12.982  -7.498
  898    HA   ILE  96           HA       ILE  96   7.319  12.922 -10.399
  899    HB   ILE  96           HB       ILE  96   5.099  12.316  -9.975
  900   1HG1  ILE  96          2HG1      ILE  96   5.913  11.442  -7.221
  901   2HG1  ILE  96          1HG1      ILE  96   5.169  13.005  -7.519
  902   1HG2  ILE  96          2HG2      ILE  96   6.728  10.678 -10.682
  903   2HG2  ILE  96          1HG2      ILE  96   7.148  10.327  -9.009
  904   3HG2  ILE  96          3HG2      ILE  96   5.546   9.899  -9.620
  905   1HD1  ILE  96          1HD1      ILE  96   3.878  10.414  -8.301
  906   2HD1  ILE  96          3HD1      ILE  96   3.709  11.188  -6.724
  907   3HD1  ILE  96          2HD1      ILE  96   3.162  12.043  -8.152
  908    MG   ILE  96           QG2      ILE  96   6.474  10.301  -9.770
  909    MD   ILE  96           QD1      ILE  96   3.583  11.215  -7.726
  910    QG   ILE  96           QG1      ILE  96   5.541  12.223  -7.370
  911    H    ALA  97           H        ALA  97   5.406  14.049 -11.096
  912    HA   ALA  97           HA       ALA  97   5.030  16.492  -9.551
  913   1HB   ALA  97          3HB       ALA  97   5.784  16.742 -11.912
  914   2HB   ALA  97          2HB       ALA  97   4.273  15.904 -12.354
  915   3HB   ALA  97          1HB       ALA  97   4.195  17.490 -11.589
  916    MB   ALA  97           QB       ALA  97   4.751  16.712 -11.952
  917    H    LYS  98           H        LYS  98   3.954  13.755  -9.895
  918    HA   LYS  98           HA       LYS  98   2.136  12.501  -9.626
  919   1HB   LYS  98          2HB       LYS  98   2.364  14.008  -7.724
  920   2HB   LYS  98          1HB       LYS  98   1.110  14.976  -8.433
  921   1HG   LYS  98          2HG       LYS  98   0.208  12.333  -8.394
  922   2HG   LYS  98          1HG       LYS  98   1.186  12.636  -7.025
  923   1HD   LYS  98          2HD       LYS  98  -0.553  14.816  -7.302
  924   2HD   LYS  98          1HD       LYS  98  -1.441  13.292  -6.978
  925   1HE   LYS  98          2HE       LYS  98   0.106  12.824  -5.330
  926   2HE   LYS  98          1HE       LYS  98   0.931  14.367  -5.603
  927   1HZ   LYS  98          1HZ       LYS  98  -1.942  14.184  -4.768
  928   2HZ   LYS  98          3HZ       LYS  98  -0.740  14.486  -3.664
  929   3HZ   LYS  98          2HZ       LYS  98  -1.053  15.590  -4.881
  930    QB   LYS  98           QB       LYS  98   1.737  14.492  -8.078
  931    QD   LYS  98           QD       LYS  98  -0.997  14.054  -7.140
  932    QG   LYS  98           QG       LYS  98   0.697  12.484  -7.710
  933    QE   LYS  98           QE       LYS  98   0.518  13.595  -5.466
  934    QZ   LYS  98           QZ       LYS  98  -1.245  14.753  -4.438
  935    H    ARG  99           H        ARG  99  -0.435  13.274  -9.659
  936    HA   ARG  99           HA       ARG  99  -2.222  13.714 -10.951
  937   1HB   ARG  99          2HB       ARG  99  -0.246  14.965 -12.848
  938   2HB   ARG  99          1HB       ARG  99  -1.890  14.666 -13.394
  939   1HG   ARG  99          2HG       ARG  99  -1.713  16.938 -12.700
  940   2HG   ARG  99          1HG       ARG  99  -2.666  16.089 -11.489
  941   1HD   ARG  99          2HD       ARG  99  -0.608  15.895 -10.099
  942   2HD   ARG  99          1HD       ARG  99   0.241  16.878 -11.294
  943    HE   ARG  99           HE       ARG  99  -1.978  18.297 -10.628
  944   1HH1  ARG  99          1HH1      ARG  99   0.942  17.203  -8.963
  945   2HH1  ARG  99          2HH1      ARG  99   0.752  18.265  -7.628
  946   1HH2  ARG  99          1HH2      ARG  99  -2.182  19.793  -8.863
  947   2HH2  ARG  99          2HH2      ARG  99  -1.048  19.790  -7.590
  948    QB   ARG  99           QB       ARG  99  -1.068  14.816 -13.121
  949    QG   ARG  99           QG       ARG  99  -2.190  16.513 -12.094
  950    QD   ARG  99           QD       ARG  99  -0.183  16.387 -10.697
  951    QH1  ARG  99           QH1      ARG  99   0.847  17.734  -8.296
  952    QH2  ARG  99           QH2      ARG  99  -1.615  19.791  -8.226
  953    H    ARG 100           H        ARG 100  -2.206  11.515 -10.624
  954    HA   ARG 100           HA       ARG 100  -2.502  10.091 -13.145
  955   1HB   ARG 100          2HB       ARG 100  -1.117   8.906 -10.715
  956   2HB   ARG 100          1HB       ARG 100  -1.515   8.046 -12.187
  957   1HG   ARG 100          2HG       ARG 100   0.115   9.411 -13.408
  958   2HG   ARG 100          1HG       ARG 100   0.515  10.259 -11.909
  959   1HD   ARG 100          2HD       ARG 100   1.047   8.056 -10.898
  960   2HD   ARG 100          1HD       ARG 100   0.820   7.328 -12.476
  961    HE   ARG 100           HE       ARG 100   2.667   8.885 -13.194
  962   1HH1  ARG 100          1HH1      ARG 100   2.407   7.789  -9.830
  963   2HH1  ARG 100          2HH1      ARG 100   4.082   7.626  -9.578
  964   1HH2  ARG 100          1HH2      ARG 100   4.950   8.714 -12.874
  965   2HH2  ARG 100          2HH2      ARG 100   5.624   8.156 -11.408
  966    QB   ARG 100           QB       ARG 100  -1.316   8.476 -11.451
  967    QG   ARG 100           QG       ARG 100   0.315   9.835 -12.658
  968    QD   ARG 100           QD       ARG 100   0.933   7.692 -11.687
  969    QH1  ARG 100           QH1      ARG 100   3.245   7.707  -9.704
  970    QH2  ARG 100           QH2      ARG 100   5.287   8.435 -12.141
  971    H    PHE 101           H        PHE 101  -2.613   9.637  -9.607
  972    HA   PHE 101           HA       PHE 101  -5.420   8.897  -9.842
  973   1HB   PHE 101          2HB       PHE 101  -3.260   8.126  -7.873
  974   2HB   PHE 101          1HB       PHE 101  -4.966   7.932  -7.490
  975    HD1  PHE 101          1HD       PHE 101  -5.918   5.902  -7.907
  976    HD2  PHE 101          2HD       PHE 101  -2.565   7.074 -10.234
  977    HE1  PHE 101          1HE       PHE 101  -5.970   3.736  -9.055
  978    HE2  PHE 101          2HE       PHE 101  -2.604   4.901 -11.388
  979    HZ   PHE 101           HZ       PHE 101  -4.312   3.233 -10.800
  980    QB   PHE 101           QB       PHE 101  -4.113   8.029  -7.681
  981    QD   PHE 101           QD       PHE 101  -4.241   6.488  -9.070
  982    QE   PHE 101           QE       PHE 101  -4.287   4.319 -10.222
  983    QR   PHE 101           QR       PHE 101  -4.274   4.969  -9.877
  984    H    ALA 102           H        ALA 102  -6.811   9.790  -8.133
  985    HA   ALA 102           HA       ALA 102  -5.667  12.273  -7.069
  986   1HB   ALA 102          2HB       ALA 102  -7.402  12.708  -8.731
  987   2HB   ALA 102          3HB       ALA 102  -7.937  13.210  -7.126
  988   3HB   ALA 102          1HB       ALA 102  -8.537  11.705  -7.818
  989    MB   ALA 102           QB       ALA 102  -7.959  12.541  -7.892
  990    H    GLY 103           H        GLY 103  -6.744   9.291  -6.258
  991   1HA   GLY 103          1HA       GLY 103  -8.094   9.242  -4.002
  992   2HA   GLY 103          2HA       GLY 103  -6.619  10.044  -3.471
  993    QA   GLY 103           QA       GLY 103  -7.356   9.643  -3.736
  994    H    TRP 104           H        TRP 104  -6.243   8.220  -2.136
  995    HA   TRP 104           HA       TRP 104  -4.920   6.060  -3.513
  996   1HB   TRP 104          2HB       TRP 104  -3.732   6.859  -1.582
  997   2HB   TRP 104          1HB       TRP 104  -5.171   6.819  -0.595
  998    HD1  TRP 104           HD       TRP 104  -2.149   4.722  -1.496
  999    HE1  TRP 104          1HE       TRP 104  -2.311   2.489  -0.192
 1000    HE3  TRP 104          3HE       TRP 104  -6.957   5.058   0.201
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.268   1.118   1.339
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.856   3.455   1.442
 1003    HH2  TRP 104           HH       TRP 104  -6.662   1.491   2.067
 1004    QB   TRP 104           QB       TRP 104  -4.451   6.839  -1.089
 1005    H    HIS 105           H        HIS 105  -5.541   3.975  -3.622
 1006    HA   HIS 105           HA       HIS 105  -8.359   3.420  -2.974
 1007   1HB   HIS 105          2HB       HIS 105  -6.627   2.670  -5.284
 1008   2HB   HIS 105          1HB       HIS 105  -8.212   1.924  -5.012
 1009    HD1  HIS 105          1HD       HIS 105  -6.503   5.041  -6.182
 1010    HD2  HIS 105          2HD       HIS 105 -10.368   3.633  -5.605
 1011    HE1  HIS 105          1HE       HIS 105  -7.985   6.629  -7.399
 1012    HE2  HIS 105          2HE       HIS 105 -10.287   5.954  -6.687
 1013    QB   HIS 105           QB       HIS 105  -7.420   2.297  -5.148
 1014    H    MET 106           H        MET 106  -8.765   1.070  -2.653
 1015    HA   MET 106           HA       MET 106  -6.452  -0.610  -2.370
 1016   1HB   MET 106          2HB       MET 106  -6.596   0.466  -0.148
 1017   2HB   MET 106          1HB       MET 106  -8.252  -0.090   0.016
 1018   1HG   MET 106          2HG       MET 106  -7.573  -2.351   0.167
 1019   2HG   MET 106          1HG       MET 106  -5.942  -1.953  -0.358
 1020   1HE   MET 106          3HE       MET 106  -4.919  -3.361   1.684
 1021   2HE   MET 106          2HE       MET 106  -5.377  -3.100   3.367
 1022   3HE   MET 106          1HE       MET 106  -6.546  -3.768   2.228
 1023    QB   MET 106           QB       MET 106  -7.424   0.188  -0.066
 1024    QG   MET 106           QG       MET 106  -6.758  -2.152  -0.096
 1025    ME   MET 106           QE       MET 106  -5.614  -3.410   2.426
 1026    H    GLN 107           H        GLN 107  -6.886  -2.611  -2.896
 1027    HA   GLN 107           HA       GLN 107  -9.357  -3.333  -3.994
 1028   1HB   GLN 107          2HB       GLN 107  -7.056  -5.079  -3.130
 1029   2HB   GLN 107          1HB       GLN 107  -8.437  -5.653  -4.055
 1030   1HG   GLN 107          2HG       GLN 107  -6.507  -3.522  -4.930
 1031   2HG   GLN 107          1HG       GLN 107  -6.520  -5.196  -5.492
 1032   1HE2  GLN 107          1HE2      GLN 107  -8.183  -5.864  -6.824
 1033   2HE2  GLN 107          2HE2      GLN 107  -9.192  -4.768  -7.686
 1034    QB   GLN 107           QB       GLN 107  -7.746  -5.366  -3.593
 1035    QG   GLN 107           QG       GLN 107  -6.513  -4.359  -5.211
 1036    QE   GLN 107           QE2      GLN 107  -8.688  -5.316  -7.255
 1037    H    LEU 108           H        LEU 108  -7.968  -4.132  -0.848
 1038    HA   LEU 108           HA       LEU 108 -10.472  -5.421  -0.093
 1039   1HB   LEU 108          2HB       LEU 108  -7.906  -5.132   1.482
 1040   2HB   LEU 108          1HB       LEU 108  -9.295  -6.083   1.946
 1041    HG   LEU 108           HG       LEU 108  -7.451  -6.636  -0.376
 1042   1HD1  LEU 108          2HD1      LEU 108  -6.447  -7.101   1.790
 1043   2HD1  LEU 108          1HD1      LEU 108  -7.842  -8.078   2.239
 1044   3HD1  LEU 108          3HD1      LEU 108  -6.792  -8.595   0.921
 1045   1HD2  LEU 108          1HD2      LEU 108  -9.829  -8.208   0.629
 1046   2HD2  LEU 108          3HD2      LEU 108  -9.731  -7.330  -0.899
 1047   3HD2  LEU 108          2HD2      LEU 108  -8.701  -8.729  -0.625
 1048    MD1  LEU 108           QD1      LEU 108  -7.027  -7.925   1.650
 1049    MD2  LEU 108           QD2      LEU 108  -9.420  -8.089  -0.299
 1050    QB   LEU 108           QB       LEU 108  -8.600  -5.608   1.714
 1051    QD   LEU 108           QQD      LEU 108  -8.224  -8.007   0.676
 1052    H    SER 109           H        SER 109 -11.842  -3.715   0.135
 1053    HA   SER 109           HA       SER 109 -11.084  -1.749   2.170
 1054   1HB   SER 109          2HB       SER 109 -11.203  -0.732  -0.083
 1055   2HB   SER 109          1HB       SER 109 -12.850  -1.328  -0.267
 1056    HG   SER 109           HG       SER 109 -12.116   0.332   1.887
 1057    QB   SER 109           QB       SER 109 -12.026  -1.030  -0.175
 1058    H    CYS 110           H        CYS 110 -13.842  -3.327   0.610
 1059    HA   CYS 110           HA       CYS 110 -15.054  -3.695   3.243
 1060   1HB   CYS 110          2HB       CYS 110 -17.253  -2.928   2.270
 1061   2HB   CYS 110          1HB       CYS 110 -16.061  -1.658   2.540
 1062    HG   CYS 110           HG       CYS 110 -16.162  -0.726   0.184
 1063    QB   CYS 110           QB       CYS 110 -16.657  -2.293   2.405
 1064    H    SER 111           H        SER 111 -14.639  -4.596  -0.045
 1065    HA   SER 111           HA       SER 111 -15.114  -6.220  -1.364
 1066   1HB   SER 111          2HB       SER 111 -15.442  -8.555  -0.502
 1067   2HB   SER 111          1HB       SER 111 -14.065  -7.753   0.241
 1068    HG   SER 111           HG       SER 111 -15.941  -7.194   1.828
 1069    QB   SER 111           QB       SER 111 -14.753  -8.154  -0.130
 1070    H    GLU 112           H        GLU 112 -16.886  -7.795  -2.111
 1071    HA   GLU 112           HA       GLU 112 -19.218  -6.134  -2.069
 1072   1HB   GLU 112          2HB       GLU 112 -18.598  -8.634  -3.625
 1073   2HB   GLU 112          1HB       GLU 112 -20.052  -7.658  -3.839
 1074   1HG   GLU 112          2HG       GLU 112 -18.722  -5.756  -4.483
 1075   2HG   GLU 112          1HG       GLU 112 -17.240  -6.659  -4.192
 1076    QB   GLU 112           QB       GLU 112 -19.325  -8.146  -3.732
 1077    QG   GLU 112           QG       GLU 112 -17.981  -6.207  -4.337
 1078    H    ALA 113           H        ALA 113 -18.177  -8.959  -0.510
 1079    HA   ALA 113           HA       ALA 113 -19.114 -10.468   0.925
 1080   1HB   ALA 113          2HB       ALA 113 -21.202  -8.307   1.286
 1081   2HB   ALA 113          1HB       ALA 113 -20.890  -9.652   2.389
 1082   3HB   ALA 113          3HB       ALA 113 -19.676  -8.394   2.155
 1083    MB   ALA 113           QB       ALA 113 -20.589  -8.784   1.943
 1084    H    ASP 114           H        ASP 114 -19.892 -10.420  -1.849
 1085    HA   ASP 114           HA       ASP 114 -22.430 -11.873  -1.635
 1086   1HB   ASP 114          2HB       ASP 114 -22.949  -9.793  -2.695
 1087   2HB   ASP 114          1HB       ASP 114 -21.607  -9.968  -3.818
 1088    QB   ASP 114           QB       ASP 114 -22.278  -9.881  -3.257
 1089    H    MET 115           H        MET 115 -19.459 -11.461  -3.544
 1090    HA   MET 115           HA       MET 115 -19.706 -13.862  -4.982
 1091   1HB   MET 115          2HB       MET 115 -18.030 -12.112  -5.521
 1092   2HB   MET 115          1HB       MET 115 -17.160 -12.500  -4.046
 1093   1HG   MET 115          2HG       MET 115 -16.064 -13.506  -5.964
 1094   2HG   MET 115          1HG       MET 115 -16.712 -14.751  -4.902
 1095   1HE   MET 115          1HE       MET 115 -16.435 -16.565  -6.805
 1096   2HE   MET 115          3HE       MET 115 -17.075 -16.382  -8.442
 1097   3HE   MET 115          2HE       MET 115 -15.770 -15.337  -7.883
 1098    QB   MET 115           QB       MET 115 -17.595 -12.306  -4.783
 1099    QG   MET 115           QG       MET 115 -16.388 -14.129  -5.433
 1100    ME   MET 115           QE       MET 115 -16.427 -16.095  -7.710
 1101    H    ARG 116           H        ARG 116 -17.985 -13.056  -2.025
 1102    HA   ARG 116           HA       ARG 116 -17.532 -14.091  -0.113
 1103   1HB   ARG 116          2HB       ARG 116 -19.704 -15.974  -0.966
 1104   2HB   ARG 116          1HB       ARG 116 -19.012 -15.902   0.655
 1105   1HG   ARG 116          2HG       ARG 116 -19.801 -13.640   0.920
 1106   2HG   ARG 116          1HG       ARG 116 -20.393 -13.626  -0.741
 1107   1HD   ARG 116          2HD       ARG 116 -21.940 -15.442  -0.176
 1108   2HD   ARG 116          1HD       ARG 116 -21.373 -15.393   1.491
 1109    HE   ARG 116           HE       ARG 116 -22.317 -12.875   0.476
 1110   1HH1  ARG 116          1HH1      ARG 116 -23.113 -15.754   2.309
 1111   2HH1  ARG 116          2HH1      ARG 116 -24.600 -15.158   2.886
 1112   1HH2  ARG 116          1HH2      ARG 116 -24.321 -12.022   1.241
 1113   2HH2  ARG 116          2HH2      ARG 116 -25.296 -12.956   2.262
 1114    QB   ARG 116           QB       ARG 116 -19.358 -15.938  -0.156
 1115    QG   ARG 116           QG       ARG 116 -20.097 -13.633   0.089
 1116    QD   ARG 116           QD       ARG 116 -21.656 -15.418   0.657
 1117    QH1  ARG 116           QH1      ARG 116 -23.857 -15.456   2.597
 1118    QH2  ARG 116           QH2      ARG 116 -24.809 -12.489   1.752
 1119    H    SER 117           H        SER 117 -17.754 -16.437  -2.704
 1120    HA   SER 117           HA       SER 117 -16.525 -18.640  -1.786
 1121   1HB   SER 117          2HB       SER 117 -17.518 -18.355  -4.042
 1122   2HB   SER 117          1HB       SER 117 -16.105 -17.423  -4.527
 1123    HG   SER 117           HG       SER 117 -14.869 -19.214  -4.422
 1124    QB   SER 117           QB       SER 117 -16.811 -17.889  -4.285
 1125    H    LEU 118           H        LEU 118 -14.905 -15.745  -2.875
 1126    HA   LEU 118           HA       LEU 118 -12.291 -16.540  -2.962
 1127   1HB   LEU 118          2HB       LEU 118 -11.838 -14.084  -2.406
 1128   2HB   LEU 118          1HB       LEU 118 -12.657 -14.507  -3.906
 1129    HG   LEU 118           HG       LEU 118 -14.831 -13.932  -2.667
 1130   1HD1  LEU 118          2HD1      LEU 118 -14.005 -13.968  -0.392
 1131   2HD1  LEU 118          1HD1      LEU 118 -12.937 -12.617  -0.744
 1132   3HD1  LEU 118          3HD1      LEU 118 -14.685 -12.388  -0.802
 1133   1HD2  LEU 118          2HD2      LEU 118 -13.880 -12.509  -4.381
 1134   2HD2  LEU 118          1HD2      LEU 118 -14.586 -11.549  -3.079
 1135   3HD2  LEU 118          3HD2      LEU 118 -12.834 -11.741  -3.180
 1136    MD1  LEU 118           QD1      LEU 118 -13.876 -12.991  -0.646
 1137    MD2  LEU 118           QD2      LEU 118 -13.766 -11.933  -3.547
 1138    QB   LEU 118           QB       LEU 118 -12.248 -14.296  -3.156
 1139    QD   LEU 118           QQD      LEU 118 -13.821 -12.462  -2.096
 1140    H    GLY 119           H        GLY 119 -14.109 -15.922  -0.089
 1141   1HA   GLY 119          1HA       GLY 119 -12.737 -15.319   1.981
 1142   2HA   GLY 119          2HA       GLY 119 -11.665 -16.602   1.431
 1143    QA   GLY 119           QA       GLY 119 -12.201 -15.961   1.706
 1144    H    LEU 120           H        LEU 120 -14.892 -17.152   0.816
 1145    HA   LEU 120           HA       LEU 120 -15.428 -18.499   3.375
 1146   1HB   LEU 120          2HB       LEU 120 -17.126 -16.976   2.369
 1147   2HB   LEU 120          1HB       LEU 120 -17.180 -18.074   0.998
 1148    HG   LEU 120           HG       LEU 120 -18.046 -19.855   2.448
 1149   1HD1  LEU 120          3HD1      LEU 120 -18.179 -17.701   4.543
 1150   2HD1  LEU 120          2HD1      LEU 120 -18.907 -19.301   4.672
 1151   3HD1  LEU 120          1HD1      LEU 120 -17.151 -19.134   4.581
 1152   1HD2  LEU 120          1HD2      LEU 120 -19.556 -18.470   1.137
 1153   2HD2  LEU 120          3HD2      LEU 120 -20.299 -18.924   2.670
 1154   3HD2  LEU 120          2HD2      LEU 120 -19.645 -17.301   2.449
 1155    MD1  LEU 120           QD1      LEU 120 -18.079 -18.712   4.599
 1156    MD2  LEU 120           QD2      LEU 120 -19.833 -18.232   2.086
 1157    QB   LEU 120           QB       LEU 120 -17.153 -17.525   1.684
 1158    QD   LEU 120           QQD      LEU 120 -18.956 -18.472   3.342
 1159    H    ALA 121           H        ALA 121 -15.422 -19.182  -0.124
 1160    HA   ALA 121           HA       ALA 121 -15.970 -21.917   0.494
 1161   1HB   ALA 121          1HB       ALA 121 -16.066 -20.565  -2.195
 1162   2HB   ALA 121          2HB       ALA 121 -17.447 -20.802  -1.126
 1163   3HB   ALA 121          3HB       ALA 121 -16.631 -22.190  -1.840
 1164    MB   ALA 121           QB       ALA 121 -16.714 -21.186  -1.721
 1165    H    GLU 122           H        GLU 122 -13.545 -20.838   0.934
 1166    HA   GLU 122           HA       GLU 122 -11.794 -22.435  -0.804
 1167   1HB   GLU 122          2HB       GLU 122 -11.353 -19.982  -1.047
 1168   2HB   GLU 122          1HB       GLU 122 -11.077 -19.885   0.684
 1169   1HG   GLU 122          2HG       GLU 122  -9.149 -21.366   0.467
 1170   2HG   GLU 122          1HG       GLU 122  -9.437 -21.478  -1.271
 1171    QB   GLU 122           QB       GLU 122 -11.215 -19.933  -0.182
 1172    QG   GLU 122           QG       GLU 122  -9.293 -21.422  -0.402
 1173    H    SER 123           H        SER 123 -11.288 -24.198   0.370
 1174    HA   SER 123           HA       SER 123 -11.646 -24.038   3.213
 1175   1HB   SER 123          2HB       SER 123 -11.387 -26.508   3.142
 1176   2HB   SER 123          1HB       SER 123 -12.688 -25.904   2.120
 1177    HG   SER 123           HG       SER 123 -11.711 -26.639   0.439
 1178    QB   SER 123           QB       SER 123 -12.038 -26.206   2.631
 1179    H    ARG 124           H        ARG 124 -10.188 -24.491   4.708
 1180    HA   ARG 124           HA       ARG 124  -7.494 -25.099   4.058
 1181   1HB   ARG 124          2HB       ARG 124  -6.573 -23.247   5.465
 1182   2HB   ARG 124          1HB       ARG 124  -7.369 -22.629   4.036
 1183   1HG   ARG 124          2HG       ARG 124  -8.664 -22.757   6.726
 1184   2HG   ARG 124          1HG       ARG 124  -7.736 -21.345   6.200
 1185   1HD   ARG 124          2HD       ARG 124  -9.307 -21.082   4.291
 1186   2HD   ARG 124          1HD       ARG 124 -10.232 -22.461   4.877
 1187    HE   ARG 124           HE       ARG 124  -9.982 -20.565   6.918
 1188   1HH1  ARG 124          1HH1      ARG 124 -11.718 -20.904   3.812
 1189   2HH1  ARG 124          2HH1      ARG 124 -12.985 -19.871   4.291
 1190   1HH2  ARG 124          1HH2      ARG 124 -11.734 -19.204   7.509
 1191   2HH2  ARG 124          2HH2      ARG 124 -13.047 -18.948   6.444
 1192    QB   ARG 124           QB       ARG 124  -6.971 -22.938   4.751
 1193    QG   ARG 124           QG       ARG 124  -8.200 -22.051   6.463
 1194    QD   ARG 124           QD       ARG 124  -9.769 -21.771   4.584
 1195    QH1  ARG 124           QH1      ARG 124 -12.352 -20.388   4.051
 1196    QH2  ARG 124           QH2      ARG 124 -12.390 -19.076   6.976
 1197    H    GLN 125           H        GLN 125  -6.904 -26.529   5.462
 1198    HA   GLN 125           HA       GLN 125  -8.620 -26.910   7.840
 1199   1HB   GLN 125          2HB       GLN 125  -8.996 -28.489   5.876
 1200   2HB   GLN 125          1HB       GLN 125  -7.408 -29.151   6.228
 1201   1HG   GLN 125          2HG       GLN 125  -9.074 -30.559   7.215
 1202   2HG   GLN 125          1HG       GLN 125  -8.207 -29.725   8.504
 1203   1HE2  GLN 125          1HE2      GLN 125  -9.918 -30.022   9.938
 1204   2HE2  GLN 125          2HE2      GLN 125 -11.383 -29.113   9.825
 1205    QB   GLN 125           QB       GLN 125  -8.202 -28.820   6.052
 1206    QG   GLN 125           QG       GLN 125  -8.641 -30.142   7.859
 1207    QE   GLN 125           QE2      GLN 125 -10.650 -29.568   9.882

  No H/Q in entry =        1207
  Start of MODEL    5
    1    H1   LEU   5          2HT       LEU   5  -1.511  35.054 -18.608
    2    H2   LEU   5          1HT       LEU   5  -2.434  35.949 -19.696
    3    H3   LEU   5          3HT       LEU   5  -2.328  36.426 -18.087
    4    HA   LEU   5           HA       LEU   5  -4.441  35.398 -18.404
    5   1HB   LEU   5          2HB       LEU   5  -3.697  34.004 -20.341
    6   2HB   LEU   5          1HB       LEU   5  -2.790  32.999 -19.231
    7    HG   LEU   5           HG       LEU   5  -4.968  32.388 -18.139
    8   1HD1  LEU   5          2HD1      LEU   5  -6.283  34.299 -18.886
    9   2HD1  LEU   5          1HD1      LEU   5  -6.161  33.741 -20.548
   10   3HD1  LEU   5          3HD1      LEU   5  -7.029  32.772 -19.359
   11   1HD2  LEU   5          2HD2      LEU   5  -3.862  30.904 -19.724
   12   2HD2  LEU   5          1HD2      LEU   5  -5.615  30.808 -19.888
   13   3HD2  LEU   5          3HD2      LEU   5  -4.673  31.721 -21.065
   14    MD1  LEU   5           QD1      LEU   5  -6.491  33.604 -19.598
   15    MD2  LEU   5           QD2      LEU   5  -4.717  31.144 -20.225
   16    QB   LEU   5           QB       LEU   5  -3.243  33.502 -19.786
   17    QD   LEU   5           QQD      LEU   5  -5.604  32.374 -19.912
   18    H    GLU   6           H        GLU   6  -5.331  34.241 -16.617
   19    HA   GLU   6           HA       GLU   6  -3.634  33.891 -14.351
   20   1HB   GLU   6          2HB       GLU   6  -6.028  34.627 -14.173
   21   2HB   GLU   6          1HB       GLU   6  -6.436  33.045 -14.835
   22   1HG   GLU   6          2HG       GLU   6  -6.781  33.389 -12.429
   23   2HG   GLU   6          1HG       GLU   6  -5.789  31.973 -12.818
   24    QB   GLU   6           QB       GLU   6  -6.232  33.836 -14.504
   25    QG   GLU   6           QG       GLU   6  -6.285  32.681 -12.623
   26    H    ALA   7           H        ALA   7  -3.450  31.921 -13.235
   27    HA   ALA   7           HA       ALA   7  -2.312  29.919 -14.778
   28   1HB   ALA   7          1HB       ALA   7  -1.808  30.210 -12.395
   29   2HB   ALA   7          3HB       ALA   7  -3.407  29.555 -12.006
   30   3HB   ALA   7          2HB       ALA   7  -2.219  28.549 -12.833
   31    MB   ALA   7           QB       ALA   7  -2.478  29.438 -12.411
   32    H    ASP   8           H        ASP   8  -3.005  28.416 -15.865
   33    HA   ASP   8           HA       ASP   8  -5.798  27.797 -16.187
   34   1HB   ASP   8          2HB       ASP   8  -4.426  27.998 -18.162
   35   2HB   ASP   8          1HB       ASP   8  -3.255  26.851 -17.551
   36    QB   ASP   8           QB       ASP   8  -3.841  27.425 -17.857
   37    H    VAL   9           H        VAL   9  -6.536  25.437 -16.116
   38    HA   VAL   9           HA       VAL   9  -5.976  24.335 -13.759
   39    HB   VAL   9           HB       VAL   9  -7.201  22.280 -14.534
   40   1HG1  VAL   9          1HG1      VAL   9  -8.354  24.141 -13.484
   41   2HG1  VAL   9          3HG1      VAL   9  -8.486  24.957 -15.046
   42   3HG1  VAL   9          2HG1      VAL   9  -9.341  23.442 -14.771
   43   1HG2  VAL   9          3HG2      VAL   9  -7.302  23.892 -17.040
   44   2HG2  VAL   9          2HG2      VAL   9  -6.532  22.327 -16.808
   45   3HG2  VAL   9          1HG2      VAL   9  -8.302  22.458 -16.739
   46    MG1  VAL   9           QG1      VAL   9  -8.727  24.180 -14.433
   47    MG2  VAL   9           QG2      VAL   9  -7.378  22.892 -16.862
   48    QG   VAL   9           QQG      VAL   9  -8.053  23.536 -15.648
   49    H    THR  10           H        THR  10  -4.086  24.132 -16.512
   50    HA   THR  10           HA       THR  10  -2.985  21.743 -16.724
   51    HB   THR  10           HB       THR  10  -2.290  23.398 -18.144
   52    HG1  THR  10          1HG       THR  10   0.167  23.458 -17.350
   53   1HG2  THR  10          3HG2      THR  10  -2.534  25.220 -16.637
   54   2HG2  THR  10          2HG2      THR  10  -1.046  24.762 -15.808
   55   3HG2  THR  10          1HG2      THR  10  -0.973  25.366 -17.483
   56    MG   THR  10           QG2      THR  10  -1.518  25.116 -16.643
   57    H    MET  11           H        MET  11  -2.066  20.349 -15.359
   58    HA   MET  11           HA       MET  11  -1.332  21.287 -12.770
   59   1HB   MET  11          2HB       MET  11  -0.877  18.816 -12.259
   60   2HB   MET  11          1HB       MET  11  -2.529  19.279 -12.598
   61   1HG   MET  11          2HG       MET  11  -2.106  17.199 -13.658
   62   2HG   MET  11          1HG       MET  11  -2.210  18.462 -14.871
   63   1HE   MET  11          3HE       MET  11   0.159  16.070 -12.888
   64   2HE   MET  11          2HE       MET  11   1.735  16.481 -13.556
   65   3HE   MET  11          1HE       MET  11   0.878  17.642 -12.544
   66    QB   MET  11           QB       MET  11  -1.703  19.047 -12.428
   67    QG   MET  11           QG       MET  11  -2.158  17.831 -14.264
   68    ME   MET  11           QE       MET  11   0.924  16.731 -12.996
   69    H    THR  12           H        THR  12   0.583  21.349 -11.813
   70    HA   THR  12           HA       THR  12   2.898  21.326 -13.580
   71    HB   THR  12           HB       THR  12   3.912  22.446 -11.749
   72    HG1  THR  12          1HG       THR  12   1.993  23.453 -10.318
   73   1HG2  THR  12          1HG2      THR  12   1.412  23.748 -12.847
   74   2HG2  THR  12          3HG2      THR  12   2.728  24.637 -12.079
   75   3HG2  THR  12          2HG2      THR  12   3.019  23.754 -13.579
   76    MG   THR  12           QG2      THR  12   2.387  24.046 -12.835
   77    H    GLY  13           H        GLY  13   2.375  20.585 -10.193
   78   1HA   GLY  13          1HA       GLY  13   3.255  17.864 -10.421
   79   2HA   GLY  13          2HA       GLY  13   2.950  18.745  -8.926
   80    QA   GLY  13           QA       GLY  13   3.102  18.305  -9.674
   81    H    SER  14           H        SER  14   4.604  20.046  -8.075
   82    HA   SER  14           HA       SER  14   7.211  19.734  -9.337
   83   1HB   SER  14          2HB       SER  14   6.328  21.703  -7.238
   84   2HB   SER  14          1HB       SER  14   7.863  21.705  -8.116
   85    HG   SER  14           HG       SER  14   5.846  21.510  -9.813
   86    QB   SER  14           QB       SER  14   7.095  21.704  -7.677
   87    H    ASP  15           H        ASP  15   5.618  19.310  -6.057
   88    HA   ASP  15           HA       ASP  15   8.082  18.130  -5.232
   89   1HB   ASP  15          2HB       ASP  15   7.339  18.805  -3.040
   90   2HB   ASP  15          1HB       ASP  15   7.812  20.194  -3.992
   91    QB   ASP  15           QB       ASP  15   7.575  19.499  -3.516
   92    H    LEU  16           H        LEU  16   6.524  16.592  -6.485
   93    HA   LEU  16           HA       LEU  16   5.465  14.929  -4.371
   94   1HB   LEU  16          2HB       LEU  16   4.602  14.986  -7.232
   95   2HB   LEU  16          1HB       LEU  16   3.956  13.949  -5.972
   96    HG   LEU  16           HG       LEU  16   2.349  15.440  -6.284
   97   1HD1  LEU  16          3HD1      LEU  16   2.705  15.375  -3.964
   98   2HD1  LEU  16          2HD1      LEU  16   3.873  16.690  -4.060
   99   3HD1  LEU  16          1HD1      LEU  16   2.176  16.998  -4.423
  100   1HD2  LEU  16          2HD2      LEU  16   4.349  17.610  -6.670
  101   2HD2  LEU  16          1HD2      LEU  16   3.269  16.819  -7.834
  102   3HD2  LEU  16          3HD2      LEU  16   2.591  17.876  -6.591
  103    MD1  LEU  16           QD1      LEU  16   2.918  16.354  -4.149
  104    MD2  LEU  16           QD2      LEU  16   3.403  17.435  -7.032
  105    QB   LEU  16           QB       LEU  16   4.279  14.467  -6.602
  106    QD   LEU  16           QQD      LEU  16   3.160  16.895  -5.590
  107    H    VAL  17           H        VAL  17   5.688  12.838  -4.563
  108    HA   VAL  17           HA       VAL  17   7.669  11.935  -6.247
  109    HB   VAL  17           HB       VAL  17   7.959  12.098  -3.246
  110   1HG1  VAL  17          3HG1      VAL  17   9.199  10.239  -5.113
  111   2HG1  VAL  17          2HG1      VAL  17   9.914  10.563  -3.486
  112   3HG1  VAL  17          1HG1      VAL  17   8.252   9.877  -3.663
  113   1HG2  VAL  17          3HG2      VAL  17   9.052  13.848  -4.624
  114   2HG2  VAL  17          2HG2      VAL  17  10.217  12.887  -3.710
  115   3HG2  VAL  17          1HG2      VAL  17   9.984  12.594  -5.431
  116    MG1  VAL  17           QG1      VAL  17   9.122  10.226  -4.087
  117    MG2  VAL  17           QG2      VAL  17   9.751  13.109  -4.589
  118    QG   VAL  17           QQG      VAL  17   9.436  11.668  -4.338
  119    H    SER  18           H        SER  18   7.500   9.567  -6.185
  120    HA   SER  18           HA       SER  18   5.156   8.509  -4.796
  121   1HB   SER  18          2HB       SER  18   4.571   8.977  -7.164
  122   2HB   SER  18          1HB       SER  18   5.871   7.905  -7.676
  123    HG   SER  18           HG       SER  18   3.799   7.090  -5.955
  124    QB   SER  18           QB       SER  18   5.221   8.441  -7.420
  125    H    CYS  19           H        CYS  19   5.699   6.810  -3.645
  126    HA   CYS  19           HA       CYS  19   8.100   5.332  -4.378
  127   1HB   CYS  19          2HB       CYS  19   8.058   4.501  -2.038
  128   2HB   CYS  19          1HB       CYS  19   7.905   6.232  -2.043
  129    HG   CYS  19           HG       CYS  19   6.240   5.712  -0.108
  130    QB   CYS  19           QB       CYS  19   7.982   5.367  -2.041
  131    H    CYS  20           H        CYS  20   7.820   3.262  -5.155
  132    HA   CYS  20           HA       CYS  20   5.043   2.260  -5.167
  133   1HB   CYS  20          2HB       CYS  20   7.137   1.928  -7.342
  134   2HB   CYS  20          1HB       CYS  20   5.482   1.331  -7.388
  135    HG   CYS  20           HG       CYS  20   5.663   4.623  -6.914
  136    QB   CYS  20           QB       CYS  20   6.309   1.629  -7.365
  137    H    TYR  21           H        TYR  21   5.091   0.532  -3.728
  138    HA   TYR  21           HA       TYR  21   7.652  -0.893  -3.667
  139   1HB   TYR  21          2HB       TYR  21   7.642  -1.020  -1.390
  140   2HB   TYR  21          1HB       TYR  21   7.213   0.655  -1.734
  141    HD1  TYR  21          1HD       TYR  21   5.884  -2.658  -0.569
  142    HD2  TYR  21          2HD       TYR  21   5.359   1.592  -0.633
  143    HE1  TYR  21          1HE       TYR  21   4.168  -2.819   1.186
  144    HE2  TYR  21          2HE       TYR  21   3.700   1.397   1.090
  145    HH   TYR  21           HH       TYR  21   2.127  -0.340   2.050
  146    QB   TYR  21           QB       TYR  21   7.427  -0.182  -1.562
  147    QD   TYR  21           QD       TYR  21   5.622  -0.533  -0.601
  148    QE   TYR  21           QE       TYR  21   3.934  -0.711   1.138
  149    QR   TYR  21           QR       TYR  21   4.778  -0.622   0.268
  150    H    ARG  22           H        ARG  22   7.472  -3.014  -2.625
  151    HA   ARG  22           HA       ARG  22   4.851  -4.267  -3.027
  152   1HB   ARG  22          2HB       ARG  22   5.840  -6.218  -3.888
  153   2HB   ARG  22          1HB       ARG  22   6.541  -4.872  -4.768
  154   1HG   ARG  22          2HG       ARG  22   8.565  -5.008  -3.538
  155   2HG   ARG  22          1HG       ARG  22   7.875  -6.206  -2.437
  156   1HD   ARG  22          2HD       ARG  22   7.500  -7.639  -4.390
  157   2HD   ARG  22          1HD       ARG  22   8.441  -6.469  -5.337
  158    HE   ARG  22           HE       ARG  22   9.729  -7.442  -2.942
  159   1HH1  ARG  22          1HH1      ARG  22   9.263  -8.146  -6.394
  160   2HH1  ARG  22          2HH1      ARG  22  10.762  -8.937  -6.581
  161   1HH2  ARG  22          1HH2      ARG  22  11.795  -8.481  -3.232
  162   2HH2  ARG  22          2HH2      ARG  22  12.238  -9.161  -4.744
  163    QB   ARG  22           QB       ARG  22   6.190  -5.545  -4.328
  164    QG   ARG  22           QG       ARG  22   8.220  -5.607  -2.987
  165    QD   ARG  22           QD       ARG  22   7.970  -7.054  -4.863
  166    QH1  ARG  22           QH1      ARG  22  10.012  -8.541  -6.488
  167    QH2  ARG  22           QH2      ARG  22  12.016  -8.821  -3.988
  168    H    SER  23           H        SER  23   4.553  -6.139  -1.725
  169    HA   SER  23           HA       SER  23   6.533  -6.690   0.225
  170   1HB   SER  23          2HB       SER  23   3.747  -5.892   1.096
  171   2HB   SER  23          1HB       SER  23   4.951  -6.660   2.140
  172    HG   SER  23           HG       SER  23   5.883  -4.507   0.801
  173    QB   SER  23           QB       SER  23   4.349  -6.276   1.618
  174    H    LEU  24           H        LEU  24   6.250  -8.788   1.119
  175    HA   LEU  24           HA       LEU  24   4.357 -10.432  -0.451
  176   1HB   LEU  24          2HB       LEU  24   6.937 -11.199   0.928
  177   2HB   LEU  24          1HB       LEU  24   5.810 -12.398   0.344
  178    HG   LEU  24           HG       LEU  24   7.613 -12.174  -1.219
  179   1HD1  LEU  24          1HD1      LEU  24   5.105 -10.931  -2.304
  180   2HD1  LEU  24          3HD1      LEU  24   6.404 -11.628  -3.263
  181   3HD1  LEU  24          2HD1      LEU  24   5.473 -12.650  -2.169
  182   1HD2  LEU  24          1HD2      LEU  24   6.900  -9.249  -1.371
  183   2HD2  LEU  24          3HD2      LEU  24   8.406  -9.925  -0.744
  184   3HD2  LEU  24          2HD2      LEU  24   8.006 -10.056  -2.464
  185    MD1  LEU  24           QD1      LEU  24   5.661 -11.736  -2.579
  186    MD2  LEU  24           QD2      LEU  24   7.771  -9.743  -1.526
  187    QB   LEU  24           QB       LEU  24   6.374 -11.799   0.636
  188    QD   LEU  24           QQD      LEU  24   6.716 -10.740  -2.052
  189    H    ALA  25           H        ALA  25   2.708  -9.641   0.979
  190    HA   ALA  25           HA       ALA  25   2.423  -9.318   3.563
  191   1HB   ALA  25          3HB       ALA  25   0.622  -9.042   1.982
  192   2HB   ALA  25          2HB       ALA  25   0.344 -10.793   1.979
  193   3HB   ALA  25          1HB       ALA  25   0.083  -9.853   3.452
  194    MB   ALA  25           QB       ALA  25   0.350  -9.896   2.471
  195    H    ALA  26           H        ALA  26   2.820 -10.243   5.402
  196    HA   ALA  26           HA       ALA  26   3.927 -12.596   5.615
  197   1HB   ALA  26          3HB       ALA  26   4.266 -10.757   7.038
  198   2HB   ALA  26          2HB       ALA  26   2.607 -10.814   7.602
  199   3HB   ALA  26          1HB       ALA  26   3.729 -12.131   8.011
  200    MB   ALA  26           QB       ALA  26   3.534 -11.234   7.550
  201    HA   PRO  27           HA       PRO  27   0.466 -15.491   6.059
  202   1HB   PRO  27          2HB       PRO  27   1.869 -17.392   7.399
  203   2HB   PRO  27          1HB       PRO  27   2.062 -17.109   5.656
  204   1HG   PRO  27          2HG       PRO  27   3.645 -15.822   7.888
  205   2HG   PRO  27          1HG       PRO  27   4.310 -16.825   6.544
  206   1HD   PRO  27          2HD       PRO  27   4.371 -14.281   6.479
  207   2HD   PRO  27          1HD       PRO  27   3.697 -15.103   5.045
  208    QB   PRO  27           QB       PRO  27   1.966 -17.251   6.527
  209    QG   PRO  27           QG       PRO  27   3.978 -16.323   7.216
  210    QD   PRO  27           QD       PRO  27   4.034 -14.692   5.762
  211    H    ASP  28           H        ASP  28   1.893 -13.788   8.412
  212    HA   ASP  28           HA       ASP  28   0.360 -15.020  10.605
  213   1HB   ASP  28          2HB       ASP  28   1.862 -14.070  12.213
  214   2HB   ASP  28          1HB       ASP  28   2.827 -14.840  10.965
  215    QB   ASP  28           QB       ASP  28   2.345 -14.455  11.589
  216    H    LEU  29           H        LEU  29  -0.185 -12.717   8.495
  217    HA   LEU  29           HA       LEU  29  -0.603 -10.440  10.110
  218   1HB   LEU  29          2HB       LEU  29  -1.676 -11.046   7.388
  219   2HB   LEU  29          1HB       LEU  29  -1.839  -9.510   8.212
  220    HG   LEU  29           HG       LEU  29   0.655 -10.805   7.189
  221   1HD1  LEU  29          1HD1      LEU  29  -0.732  -9.562   5.594
  222   2HD1  LEU  29          3HD1      LEU  29  -0.574  -8.138   6.639
  223   3HD1  LEU  29          2HD1      LEU  29   0.863  -8.849   5.853
  224   1HD2  LEU  29          3HD2      LEU  29   0.355  -8.439   9.011
  225   2HD2  LEU  29          2HD2      LEU  29   1.244  -9.933   9.312
  226   3HD2  LEU  29          1HD2      LEU  29   1.830  -8.797   8.102
  227    MD1  LEU  29           QD1      LEU  29  -0.148  -8.849   6.029
  228    MD2  LEU  29           QD2      LEU  29   1.143  -9.056   8.808
  229    QB   LEU  29           QB       LEU  29  -1.757 -10.278   7.800
  230    QD   LEU  29           QQD      LEU  29   0.498  -8.953   7.418
  231    H    THR  30           H        THR  30  -2.399  -9.387  10.675
  232    HA   THR  30           HA       THR  30  -4.706 -10.988  11.333
  233    HB   THR  30           HB       THR  30  -5.062  -8.658  12.328
  234    HG1  THR  30          1HG       THR  30  -3.151  -7.631  12.802
  235   1HG2  THR  30          1HG2      THR  30  -3.469 -10.924  13.410
  236   2HG2  THR  30          3HG2      THR  30  -4.122  -9.606  14.421
  237   3HG2  THR  30          2HG2      THR  30  -5.232 -10.602  13.461
  238    MG   THR  30           QG2      THR  30  -4.275 -10.377  13.764
  239    H    LEU  31           H        LEU  31  -6.470 -10.819  10.214
  240    HA   LEU  31           HA       LEU  31  -6.984  -9.204   7.946
  241   1HB   LEU  31          2HB       LEU  31  -8.253 -11.250   8.715
  242   2HB   LEU  31          1HB       LEU  31  -8.778 -10.135   9.996
  243    HG   LEU  31           HG       LEU  31  -9.985  -8.766   8.426
  244   1HD1  LEU  31          1HD1      LEU  31  -8.574  -9.087   6.479
  245   2HD1  LEU  31          3HD1      LEU  31  -9.224 -10.726   6.270
  246   3HD1  LEU  31          2HD1      LEU  31 -10.278  -9.305   6.144
  247   1HD2  LEU  31          1HD2      LEU  31 -11.200 -10.594   9.434
  248   2HD2  LEU  31          3HD2      LEU  31 -11.780 -10.305   7.795
  249   3HD2  LEU  31          2HD2      LEU  31 -10.716 -11.671   8.124
  250    MD1  LEU  31           QD1      LEU  31  -9.359  -9.706   6.298
  251    MD2  LEU  31           QD2      LEU  31 -11.232 -10.857   8.451
  252    QB   LEU  31           QB       LEU  31  -8.516 -10.692   9.355
  253    QD   LEU  31           QQD      LEU  31 -10.295 -10.281   7.374
  254    H    ARG  32           H        ARG  32  -7.719  -8.653  11.381
  255    HA   ARG  32           HA       ARG  32  -9.180  -6.350  10.595
  256   1HB   ARG  32          2HB       ARG  32  -9.747  -7.430  12.700
  257   2HB   ARG  32          1HB       ARG  32  -8.179  -7.019  13.375
  258   1HG   ARG  32          2HG       ARG  32  -9.989  -5.507  14.171
  259   2HG   ARG  32          1HG       ARG  32  -8.717  -4.668  13.268
  260   1HD   ARG  32          2HD       ARG  32 -11.030  -3.915  12.676
  261   2HD   ARG  32          1HD       ARG  32 -10.067  -4.492  11.323
  262    HE   ARG  32           HE       ARG  32 -11.630  -6.588  12.348
  263   1HH1  ARG  32          1HH1      ARG  32 -12.056  -3.530  10.611
  264   2HH1  ARG  32          2HH1      ARG  32 -13.346  -4.093   9.655
  265   1HH2  ARG  32          1HH2      ARG  32 -13.371  -7.372  10.985
  266   2HH2  ARG  32          2HH2      ARG  32 -14.092  -6.334   9.847
  267    QB   ARG  32           QB       ARG  32  -8.963  -7.225  13.038
  268    QG   ARG  32           QG       ARG  32  -9.353  -5.087  13.719
  269    QD   ARG  32           QD       ARG  32 -10.548  -4.204  11.999
  270    QH1  ARG  32           QH1      ARG  32 -12.701  -3.812  10.133
  271    QH2  ARG  32           QH2      ARG  32 -13.732  -6.853  10.416
  272    H    ASP  33           H        ASP  33  -5.889  -6.959  11.086
  273    HA   ASP  33           HA       ASP  33  -5.264  -4.215  11.264
  274   1HB   ASP  33          2HB       ASP  33  -3.576  -6.629  10.880
  275   2HB   ASP  33          1HB       ASP  33  -2.925  -5.063  10.388
  276    QB   ASP  33           QB       ASP  33  -3.251  -5.846  10.634
  277    H    LEU  34           H        LEU  34  -5.682  -6.477   8.535
  278    HA   LEU  34           HA       LEU  34  -4.678  -4.559   6.597
  279   1HB   LEU  34          2HB       LEU  34  -6.716  -6.766   6.192
  280   2HB   LEU  34          1HB       LEU  34  -6.171  -5.719   4.908
  281    HG   LEU  34           HG       LEU  34  -5.099  -7.829   4.687
  282   1HD1  LEU  34          1HD1      LEU  34  -3.711  -5.940   4.130
  283   2HD1  LEU  34          3HD1      LEU  34  -3.124  -5.852   5.792
  284   3HD1  LEU  34          2HD1      LEU  34  -2.746  -7.254   4.799
  285   1HD2  LEU  34          1HD2      LEU  34  -5.442  -8.479   6.981
  286   2HD2  LEU  34          3HD2      LEU  34  -3.805  -8.869   6.412
  287   3HD2  LEU  34          2HD2      LEU  34  -4.079  -7.451   7.459
  288    MD1  LEU  34           QD1      LEU  34  -3.193  -6.349   4.907
  289    MD2  LEU  34           QD2      LEU  34  -4.442  -8.266   6.951
  290    QB   LEU  34           QB       LEU  34  -6.444  -6.243   5.550
  291    QD   LEU  34           QQD      LEU  34  -3.818  -7.308   5.929
  292    H    LEU  35           H        LEU  35  -7.710  -5.235   7.944
  293    HA   LEU  35           HA       LEU  35  -9.168  -3.317   6.445
  294   1HB   LEU  35          2HB       LEU  35  -9.764  -4.831   8.977
  295   2HB   LEU  35          1HB       LEU  35 -10.890  -3.653   8.351
  296    HG   LEU  35           HG       LEU  35 -11.364  -6.104   7.808
  297   1HD1  LEU  35          2HD1      LEU  35 -11.053  -4.171   5.495
  298   2HD1  LEU  35          1HD1      LEU  35 -12.077  -5.609   5.501
  299   3HD1  LEU  35          3HD1      LEU  35 -12.435  -4.267   6.584
  300   1HD2  LEU  35          1HD2      LEU  35  -9.061  -6.755   7.233
  301   2HD2  LEU  35          3HD2      LEU  35 -10.152  -7.079   5.873
  302   3HD2  LEU  35          2HD2      LEU  35  -9.079  -5.657   5.903
  303    MD1  LEU  35           QD1      LEU  35 -11.855  -4.682   5.860
  304    MD2  LEU  35           QD2      LEU  35  -9.431  -6.497   6.336
  305    QB   LEU  35           QB       LEU  35 -10.327  -4.242   8.664
  306    QD   LEU  35           QQD      LEU  35 -10.643  -5.590   6.098
  307    H    ASP  36           H        ASP  36  -7.610  -3.214   9.531
  308    HA   ASP  36           HA       ASP  36  -8.343  -0.480  10.077
  309   1HB   ASP  36          2HB       ASP  36  -7.565  -1.872  11.933
  310   2HB   ASP  36          1HB       ASP  36  -6.009  -2.087  11.146
  311    QB   ASP  36           QB       ASP  36  -6.787  -1.979  11.539
  312    H    ILE  37           H        ILE  37  -5.585  -1.955   8.480
  313    HA   ILE  37           HA       ILE  37  -4.009   0.266   7.957
  314    HB   ILE  37           HB       ILE  37  -4.469  -2.233   6.312
  315   1HG1  ILE  37          2HG1      ILE  37  -1.966  -1.406   7.760
  316   2HG1  ILE  37          1HG1      ILE  37  -3.253  -2.269   8.588
  317   1HG2  ILE  37          2HG2      ILE  37  -3.778  -0.443   4.772
  318   2HG2  ILE  37          1HG2      ILE  37  -2.390  -0.095   5.793
  319   3HG2  ILE  37          3HG2      ILE  37  -2.496  -1.643   4.957
  320   1HD1  ILE  37          1HD1      ILE  37  -1.875  -3.270   6.117
  321   2HD1  ILE  37          3HD1      ILE  37  -1.378  -3.659   7.752
  322   3HD1  ILE  37          2HD1      ILE  37  -2.950  -4.190   7.194
  323    MG   ILE  37           QG2      ILE  37  -2.888  -0.727   5.174
  324    MD   ILE  37           QD1      ILE  37  -2.068  -3.706   7.021
  325    QG   ILE  37           QG1      ILE  37  -2.610  -1.838   8.174
  326    H    VAL  38           H        VAL  38  -6.517  -1.125   5.835
  327    HA   VAL  38           HA       VAL  38  -6.375   0.829   3.887
  328    HB   VAL  38           HB       VAL  38  -7.667  -1.227   3.431
  329   1HG1  VAL  38          3HG1      VAL  38  -8.617  -1.579   5.582
  330   2HG1  VAL  38          2HG1      VAL  38  -9.749  -0.250   5.311
  331   3HG1  VAL  38          1HG1      VAL  38  -9.818  -1.690   4.294
  332   1HG2  VAL  38          3HG2      VAL  38  -9.376   1.250   3.181
  333   2HG2  VAL  38          2HG2      VAL  38  -8.278   0.580   1.967
  334   3HG2  VAL  38          1HG2      VAL  38  -9.726  -0.291   2.402
  335    MG1  VAL  38           QG1      VAL  38  -9.395  -1.173   5.062
  336    MG2  VAL  38           QG2      VAL  38  -9.127   0.513   2.517
  337    QG   VAL  38           QQG      VAL  38  -9.261  -0.330   3.789
  338    H    GLU  39           H        GLU  39  -8.421   0.868   6.748
  339    HA   GLU  39           HA       GLU  39  -9.683   3.286   6.102
  340   1HB   GLU  39          2HB       GLU  39  -9.394   1.837   8.719
  341   2HB   GLU  39          1HB       GLU  39 -10.465   3.211   8.495
  342   1HG   GLU  39          2HG       GLU  39 -11.590   1.930   6.665
  343   2HG   GLU  39          1HG       GLU  39 -10.577   0.562   7.083
  344    QB   GLU  39           QB       GLU  39  -9.930   2.524   8.607
  345    QG   GLU  39           QG       GLU  39 -11.084   1.246   6.874
  346    H    THR  40           H        THR  40  -6.960   2.612   8.280
  347    HA   THR  40           HA       THR  40  -6.607   5.294   9.105
  348    HB   THR  40           HB       THR  40  -4.525   3.085   9.061
  349    HG1  THR  40          1HG       THR  40  -6.130   2.233  10.235
  350   1HG2  THR  40          3HG2      THR  40  -4.836   5.518  10.837
  351   2HG2  THR  40          2HG2      THR  40  -3.595   4.273  11.008
  352   3HG2  THR  40          1HG2      THR  40  -3.613   5.314   9.579
  353    MG   THR  40           QG2      THR  40  -4.015   5.035  10.475
  354    H    SER  41           H        SER  41  -5.354   3.429   6.390
  355    HA   SER  41           HA       SER  41  -3.236   5.049   5.622
  356   1HB   SER  41          2HB       SER  41  -3.725   2.750   4.758
  357   2HB   SER  41          1HB       SER  41  -5.055   3.423   3.820
  358    HG   SER  41           HG       SER  41  -3.400   3.417   2.436
  359    QB   SER  41           QB       SER  41  -4.390   3.086   4.289
  360    H    GLN  42           H        GLN  42  -6.612   5.083   4.540
  361    HA   GLN  42           HA       GLN  42  -6.531   7.204   2.717
  362   1HB   GLN  42          2HB       GLN  42  -8.719   6.390   4.583
  363   2HB   GLN  42          1HB       GLN  42  -8.916   7.459   3.201
  364   1HG   GLN  42          2HG       GLN  42  -8.630   5.805   1.685
  365   2HG   GLN  42          1HG       GLN  42  -7.665   4.840   2.799
  366   1HE2  GLN  42          1HE2      GLN  42  -9.607   5.062   4.978
  367   2HE2  GLN  42          2HE2      GLN  42 -10.854   4.000   4.439
  368    QB   GLN  42           QB       GLN  42  -8.817   6.925   3.892
  369    QG   GLN  42           QG       GLN  42  -8.148   5.322   2.242
  370    QE   GLN  42           QE2      GLN  42 -10.230   4.531   4.709
  371    H    ALA  43           H        ALA  43  -7.224   7.192   6.148
  372    HA   ALA  43           HA       ALA  43  -7.943   9.865   6.418
  373   1HB   ALA  43          2HB       ALA  43  -7.808   9.467   8.771
  374   2HB   ALA  43          3HB       ALA  43  -6.708   8.094   8.520
  375   3HB   ALA  43          1HB       ALA  43  -8.375   7.994   7.962
  376    MB   ALA  43           QB       ALA  43  -7.630   8.518   8.418
  377    H    HIS  44           H        HIS  44  -4.746   8.399   6.738
  378    HA   HIS  44           HA       HIS  44  -3.574  10.996   7.296
  379   1HB   HIS  44          2HB       HIS  44  -2.516   8.934   8.225
  380   2HB   HIS  44          1HB       HIS  44  -2.277   8.445   6.540
  381    HD1  HIS  44          1HD       HIS  44   0.005   8.688   5.804
  382    HD2  HIS  44          2HD       HIS  44  -0.978  11.704   8.454
  383    HE1  HIS  44          1HE       HIS  44   2.052  10.118   5.984
  384    HE2  HIS  44          2HE       HIS  44   1.580  11.436   7.969
  385    QB   HIS  44           QB       HIS  44  -2.397   8.689   7.382
  386    H    ASN  45           H        ASN  45  -3.841   8.813   4.516
  387    HA   ASN  45           HA       ASN  45  -2.042  10.285   2.955
  388   1HB   ASN  45          2HB       ASN  45  -4.215   8.376   2.074
  389   2HB   ASN  45          1HB       ASN  45  -3.102   9.143   0.950
  390   1HD2  ASN  45          1HD2      ASN  45  -3.412   6.355   1.403
  391   2HD2  ASN  45          2HD2      ASN  45  -1.915   5.742   1.974
  392    QB   ASN  45           QB       ASN  45  -3.658   8.759   1.512
  393    QD   ASN  45           QD2      ASN  45  -2.663   6.048   1.688
  394    H    ALA  46           H        ALA  46  -5.541  10.474   3.242
  395    HA   ALA  46           HA       ALA  46  -5.973  12.457   1.298
  396   1HB   ALA  46          2HB       ALA  46  -8.028  12.955   2.512
  397   2HB   ALA  46          3HB       ALA  46  -7.416  12.071   3.913
  398   3HB   ALA  46          1HB       ALA  46  -7.797  11.204   2.416
  399    MB   ALA  46           QB       ALA  46  -7.747  12.077   2.947
  400    H    ARG  47           H        ARG  47  -5.189  12.630   4.710
  401    HA   ARG  47           HA       ARG  47  -5.242  15.428   5.011
  402   1HB   ARG  47          2HB       ARG  47  -5.083  13.572   6.792
  403   2HB   ARG  47          1HB       ARG  47  -3.354  13.620   6.440
  404   1HG   ARG  47          2HG       ARG  47  -3.394  16.070   6.966
  405   2HG   ARG  47          1HG       ARG  47  -5.031  15.829   7.583
  406   1HD   ARG  47          2HD       ARG  47  -3.625  15.696   9.475
  407   2HD   ARG  47          1HD       ARG  47  -4.017  14.024   9.076
  408    HE   ARG  47           HE       ARG  47  -1.629  14.887   7.796
  409   1HH1  ARG  47          1HH1      ARG  47  -2.833  13.654  10.876
  410   2HH1  ARG  47          2HH1      ARG  47  -1.301  13.203  11.460
  411   1HH2  ARG  47          1HH2      ARG  47   0.498  14.252   8.606
  412   2HH2  ARG  47          2HH2      ARG  47   0.606  13.562  10.163
  413    QB   ARG  47           QB       ARG  47  -4.219  13.596   6.616
  414    QG   ARG  47           QG       ARG  47  -4.213  15.949   7.275
  415    QD   ARG  47           QD       ARG  47  -3.821  14.860   9.275
  416    QH1  ARG  47           QH1      ARG  47  -2.067  13.428  11.168
  417    QH2  ARG  47           QH2      ARG  47   0.552  13.907   9.385
  418    H    ALA  48           H        ALA  48  -2.512  13.211   4.433
  419    HA   ALA  48           HA       ALA  48  -0.737  15.417   4.251
  420   1HB   ALA  48          2HB       ALA  48  -0.034  13.319   5.254
  421   2HB   ALA  48          3HB       ALA  48   1.011  13.822   3.916
  422   3HB   ALA  48          1HB       ALA  48  -0.159  12.514   3.689
  423    MB   ALA  48           QB       ALA  48   0.273  13.218   4.286
  424    H    GLN  49           H        GLN  49  -2.893  14.268   2.077
  425    HA   GLN  49           HA       GLN  49  -3.403  14.941  -0.024
  426   1HB   GLN  49          2HB       GLN  49  -0.754  16.345   0.134
  427   2HB   GLN  49          1HB       GLN  49  -1.902  16.581  -1.214
  428   1HG   GLN  49          2HG       GLN  49  -3.207  17.873   0.114
  429   2HG   GLN  49          1HG       GLN  49  -2.842  16.756   1.459
  430   1HE2  GLN  49          1HE2      GLN  49  -1.416  17.233   2.887
  431   2HE2  GLN  49          2HE2      GLN  49  -0.358  18.579   2.937
  432    QB   GLN  49           QB       GLN  49  -1.328  16.463  -0.540
  433    QG   GLN  49           QG       GLN  49  -3.025  17.315   0.786
  434    QE   GLN  49           QE2      GLN  49  -0.887  17.906   2.912
  435    H    LEU  50           H        LEU  50  -2.065  12.631   0.686
  436    HA   LEU  50           HA       LEU  50  -0.494  11.770  -1.592
  437   1HB   LEU  50          2HB       LEU  50  -1.172  10.627   1.061
  438   2HB   LEU  50          1HB       LEU  50  -0.703   9.538  -0.225
  439    HG   LEU  50           HG       LEU  50   1.392  10.644  -0.447
  440   1HD1  LEU  50          3HD1      LEU  50   0.783  12.897   0.124
  441   2HD1  LEU  50          2HD1      LEU  50   0.543  12.420   1.803
  442   3HD1  LEU  50          1HD1      LEU  50   2.154  12.358   1.087
  443   1HD2  LEU  50          1HD2      LEU  50   1.214   8.819   1.146
  444   2HD2  LEU  50          3HD2      LEU  50   2.420  10.006   1.645
  445   3HD2  LEU  50          2HD2      LEU  50   0.834   9.974   2.425
  446    MD1  LEU  50           QD1      LEU  50   1.160  12.558   1.005
  447    MD2  LEU  50           QD2      LEU  50   1.489   9.600   1.739
  448    QB   LEU  50           QB       LEU  50  -0.937  10.083   0.418
  449    QD   LEU  50           QQD      LEU  50   1.325  11.079   1.372
  450    H    THR  51           H        THR  51  -1.276  10.811  -3.274
  451    HA   THR  51           HA       THR  51  -3.917   9.640  -3.127
  452    HB   THR  51           HB       THR  51  -4.098  10.294  -5.538
  453    HG1  THR  51          1HG       THR  51  -2.039  10.474  -6.312
  454   1HG2  THR  51          3HG2      THR  51  -4.767  11.711  -3.664
  455   2HG2  THR  51          2HG2      THR  51  -3.167  12.483  -3.736
  456   3HG2  THR  51          1HG2      THR  51  -4.293  12.665  -5.096
  457    MG   THR  51           QG2      THR  51  -4.075  12.286  -4.165
  458    H    GLY  52           H        GLY  52  -4.152   7.577  -4.366
  459   1HA   GLY  52          1HA       GLY  52  -2.326   5.930  -3.107
  460   2HA   GLY  52          2HA       GLY  52  -1.771   6.080  -4.764
  461    QA   GLY  52           QA       GLY  52  -2.049   6.005  -3.935
  462    H    ALA  53           H        ALA  53  -2.108   3.777  -4.209
  463    HA   ALA  53           HA       ALA  53  -4.617   2.634  -4.069
  464   1HB   ALA  53          2HB       ALA  53  -4.857   1.605  -6.291
  465   2HB   ALA  53          3HB       ALA  53  -3.432   2.475  -6.858
  466   3HB   ALA  53          1HB       ALA  53  -4.893   3.362  -6.427
  467    MB   ALA  53           QB       ALA  53  -4.394   2.481  -6.525
  468    H    LEU  54           H        LEU  54  -4.433   0.206  -4.266
  469    HA   LEU  54           HA       LEU  54  -1.737  -0.723  -4.462
  470   1HB   LEU  54          2HB       LEU  54  -1.506  -1.674  -2.303
  471   2HB   LEU  54          1HB       LEU  54  -2.030  -0.023  -2.081
  472    HG   LEU  54           HG       LEU  54  -4.381  -1.053  -1.729
  473   1HD1  LEU  54          1HD1      LEU  54  -2.641  -3.465  -1.203
  474   2HD1  LEU  54          3HD1      LEU  54  -4.342  -3.337  -0.765
  475   3HD1  LEU  54          2HD1      LEU  54  -3.869  -3.328  -2.460
  476   1HD2  LEU  54          2HD2      LEU  54  -3.002   0.037  -0.007
  477   2HD2  LEU  54          1HD2      LEU  54  -3.936  -1.321   0.640
  478   3HD2  LEU  54          3HD2      LEU  54  -2.215  -1.504   0.313
  479    MD1  LEU  54           QD1      LEU  54  -3.617  -3.377  -1.476
  480    MD2  LEU  54           QD2      LEU  54  -3.051  -0.929   0.315
  481    QB   LEU  54           QB       LEU  54  -1.768  -0.848  -2.192
  482    QD   LEU  54           QQD      LEU  54  -3.334  -2.153  -0.580
  483    H    PHE  55           H        PHE  55  -1.549  -2.814  -4.913
  484    HA   PHE  55           HA       PHE  55  -4.061  -4.191  -5.479
  485   1HB   PHE  55          2HB       PHE  55  -1.464  -4.404  -7.033
  486   2HB   PHE  55          1HB       PHE  55  -2.970  -5.227  -7.411
  487    HD1  PHE  55          1HD       PHE  55  -5.017  -3.729  -7.915
  488    HD2  PHE  55          2HD       PHE  55  -0.999  -2.344  -7.970
  489    HE1  PHE  55          1HE       PHE  55  -5.707  -1.800  -9.275
  490    HE2  PHE  55          2HE       PHE  55  -1.677  -0.417  -9.334
  491    HZ   PHE  55           HZ       PHE  55  -4.029  -0.139  -9.985
  492    QB   PHE  55           QB       PHE  55  -2.217  -4.815  -7.222
  493    QD   PHE  55           QD       PHE  55  -3.008  -3.036  -7.943
  494    QE   PHE  55           QE       PHE  55  -3.692  -1.109  -9.304
  495    QR   PHE  55           QR       PHE  55  -3.486  -1.686  -8.896
  496    H    TYR  56           H        TYR  56  -4.251  -5.595  -3.979
  497    HA   TYR  56           HA       TYR  56  -1.938  -7.119  -3.036
  498   1HB   TYR  56          2HB       TYR  56  -3.130  -5.871  -1.314
  499   2HB   TYR  56          1HB       TYR  56  -4.662  -6.530  -1.752
  500    HD1  TYR  56          1HD       TYR  56  -4.306  -9.430  -1.675
  501    HD2  TYR  56          2HD       TYR  56  -2.473  -6.460   0.731
  502    HE1  TYR  56          1HE       TYR  56  -4.029 -11.073   0.140
  503    HE2  TYR  56          2HE       TYR  56  -2.168  -8.094   2.534
  504    HH   TYR  56           HH       TYR  56  -2.543 -11.399   2.115
  505    QB   TYR  56           QB       TYR  56  -3.896  -6.200  -1.533
  506    QD   TYR  56           QD       TYR  56  -3.389  -7.945  -0.472
  507    QE   TYR  56           QE       TYR  56  -3.099  -9.584   1.337
  508    QR   TYR  56           QR       TYR  56  -3.244  -8.764   0.432
  509    H    SER  57           H        SER  57  -1.844  -8.988  -4.172
  510    HA   SER  57           HA       SER  57  -4.201 -10.627  -4.489
  511   1HB   SER  57          2HB       SER  57  -3.776 -10.842  -6.991
  512   2HB   SER  57          1HB       SER  57  -4.460  -9.300  -6.469
  513    HG   SER  57           HG       SER  57  -1.855  -9.075  -6.307
  514    QB   SER  57           QB       SER  57  -4.118 -10.071  -6.730
  515    H    GLN  58           H        GLN  58  -3.655 -12.775  -4.535
  516    HA   GLN  58           HA       GLN  58  -2.471 -14.681  -4.393
  517   1HB   GLN  58          2HB       GLN  58  -1.581 -13.925  -6.671
  518   2HB   GLN  58          1HB       GLN  58  -0.203 -13.242  -5.837
  519   1HG   GLN  58          2HG       GLN  58   0.396 -15.499  -5.026
  520   2HG   GLN  58          1HG       GLN  58  -0.968 -16.156  -5.932
  521   1HE2  GLN  58          1HE2      GLN  58   0.341 -17.437  -7.187
  522   2HE2  GLN  58          2HE2      GLN  58   1.346 -16.812  -8.436
  523    QB   GLN  58           QB       GLN  58  -0.892 -13.583  -6.254
  524    QG   GLN  58           QG       GLN  58  -0.286 -15.828  -5.479
  525    QE   GLN  58           QE2      GLN  58   0.843 -17.124  -7.811
  526    H    GLY  59           H        GLY  59  -2.101 -12.253  -2.594
  527   1HA   GLY  59          1HA       GLY  59  -0.029 -13.436  -0.912
  528   2HA   GLY  59          2HA       GLY  59  -1.202 -12.223  -0.416
  529    QA   GLY  59           QA       GLY  59  -0.615 -12.830  -0.664
  530    H    VAL  60           H        VAL  60   0.306 -11.484  -3.405
  531    HA   VAL  60           HA       VAL  60   2.421 -10.095  -2.037
  532    HB   VAL  60           HB       VAL  60   3.109 -11.246  -4.114
  533   1HG1  VAL  60          3HG1      VAL  60   1.274  -9.343  -5.544
  534   2HG1  VAL  60          2HG1      VAL  60   2.435 -10.408  -6.327
  535   3HG1  VAL  60          1HG1      VAL  60   1.077 -11.088  -5.420
  536   1HG2  VAL  60          3HG2      VAL  60   4.382  -9.281  -3.439
  537   2HG2  VAL  60          2HG2      VAL  60   4.329  -9.398  -5.195
  538   3HG2  VAL  60          1HG2      VAL  60   3.297  -8.241  -4.357
  539    MG1  VAL  60           QG1      VAL  60   1.595 -10.280  -5.764
  540    MG2  VAL  60           QG2      VAL  60   4.003  -8.973  -4.330
  541    QG   VAL  60           QQG      VAL  60   2.799  -9.627  -5.047
  542    H    PHE  61           H        PHE  61   2.523  -8.156  -1.624
  543    HA   PHE  61           HA       PHE  61   0.270  -6.359  -2.000
  544   1HB   PHE  61          2HB       PHE  61   2.619  -6.647  -0.335
  545   2HB   PHE  61          1HB       PHE  61   2.325  -5.001  -0.836
  546    HD1  PHE  61          1HD       PHE  61   2.108  -7.067   1.746
  547    HD2  PHE  61          2HD       PHE  61  -0.451  -4.570  -0.568
  548    HE1  PHE  61          1HE       PHE  61   0.710  -6.731   3.697
  549    HE2  PHE  61          2HE       PHE  61  -1.880  -4.226   1.381
  550    HZ   PHE  61           HZ       PHE  61  -1.255  -5.260   3.539
  551    QB   PHE  61           QB       PHE  61   2.472  -5.824  -0.586
  552    QD   PHE  61           QD       PHE  61   0.828  -5.818   0.589
  553    QE   PHE  61           QE       PHE  61  -0.585  -5.478   2.539
  554    QR   PHE  61           QR       PHE  61  -0.153  -5.571   1.959
  555    H    PHE  62           H        PHE  62   0.366  -5.123  -3.911
  556    HA   PHE  62           HA       PHE  62   2.950  -3.802  -4.245
  557   1HB   PHE  62          2HB       PHE  62   2.189  -4.952  -6.345
  558   2HB   PHE  62          1HB       PHE  62   0.710  -3.981  -6.301
  559    HD1  PHE  62          1HD       PHE  62   4.359  -3.875  -6.772
  560    HD2  PHE  62          2HD       PHE  62   0.712  -1.698  -7.037
  561    HE1  PHE  62          1HE       PHE  62   5.513  -2.090  -8.014
  562    HE2  PHE  62          2HE       PHE  62   1.861   0.082  -8.278
  563    HZ   PHE  62           HZ       PHE  62   4.266  -0.111  -8.768
  564    QB   PHE  62           QB       PHE  62   1.449  -4.467  -6.323
  565    QD   PHE  62           QD       PHE  62   2.535  -2.787  -6.905
  566    QE   PHE  62           QE       PHE  62   3.687  -1.004  -8.146
  567    QR   PHE  62           QR       PHE  62   3.342  -1.539  -7.774
  568    H    GLN  63           H        GLN  63   2.916  -1.823  -3.432
  569    HA   GLN  63           HA       GLN  63   0.308  -0.466  -3.120
  570   1HB   GLN  63          2HB       GLN  63   1.259  -1.860  -1.079
  571   2HB   GLN  63          1HB       GLN  63   2.372  -0.528  -0.927
  572   1HG   GLN  63          2HG       GLN  63  -0.635  -0.352  -0.719
  573   2HG   GLN  63          1HG       GLN  63   0.484  -0.394   0.619
  574   1HE2  GLN  63          1HE2      GLN  63   2.378   1.495  -0.603
  575   2HE2  GLN  63          2HE2      GLN  63   1.573   3.026  -0.541
  576    QB   GLN  63           QB       GLN  63   1.815  -1.194  -1.003
  577    QG   GLN  63           QG       GLN  63  -0.075  -0.373  -0.050
  578    QE   GLN  63           QE2      GLN  63   1.976   2.260  -0.572
  579    H    TRP  64           H        TRP  64   0.605   1.643  -3.891
  580    HA   TRP  64           HA       TRP  64   3.196   2.717  -3.364
  581   1HB   TRP  64          2HB       TRP  64   3.695   3.396  -5.524
  582   2HB   TRP  64          1HB       TRP  64   3.072   1.751  -5.780
  583    HD1  TRP  64           HD       TRP  64   3.130   5.099  -7.028
  584    HE1  TRP  64          1HE       TRP  64   1.287   5.563  -8.644
  585    HE3  TRP  64          3HE       TRP  64   0.186   1.091  -5.969
  586    HZ2  TRP  64          2HZ       TRP  64  -1.191   4.389  -9.423
  587    HZ3  TRP  64          3HZ       TRP  64  -1.950   0.875  -7.169
  588    HH2  TRP  64           HH       TRP  64  -2.596   2.471  -8.878
  589    QB   TRP  64           QB       TRP  64   3.384   2.574  -5.652
  590    H    LEU  65           H        LEU  65   3.118   5.167  -3.764
  591    HA   LEU  65           HA       LEU  65   0.456   6.304  -3.761
  592   1HB   LEU  65          2HB       LEU  65   0.861   7.497  -1.620
  593   2HB   LEU  65          1HB       LEU  65   0.650   5.772  -1.447
  594    HG   LEU  65           HG       LEU  65   3.316   5.895  -1.611
  595   1HD1  LEU  65          2HD1      LEU  65   2.507   8.507  -0.409
  596   2HD1  LEU  65          1HD1      LEU  65   4.060   7.715  -0.118
  597   3HD1  LEU  65          3HD1      LEU  65   3.606   8.190  -1.751
  598   1HD2  LEU  65          1HD2      LEU  65   2.059   4.716   0.074
  599   2HD2  LEU  65          3HD2      LEU  65   3.375   5.637   0.774
  600   3HD2  LEU  65          2HD2      LEU  65   1.718   6.237   0.920
  601    MD1  LEU  65           QD1      LEU  65   3.391   8.138  -0.759
  602    MD2  LEU  65           QD2      LEU  65   2.384   5.530   0.589
  603    QB   LEU  65           QB       LEU  65   0.756   6.634  -1.534
  604    QD   LEU  65           QQD      LEU  65   2.888   6.834  -0.085
  605    H    GLU  66           H        GLU  66   0.404   8.479  -4.127
  606    HA   GLU  66           HA       GLU  66   2.830   9.760  -5.203
  607   1HB   GLU  66          2HB       GLU  66  -0.074  10.605  -5.437
  608   2HB   GLU  66          1HB       GLU  66   1.293  11.148  -6.383
  609   1HG   GLU  66          2HG       GLU  66   1.337   9.092  -7.608
  610   2HG   GLU  66          1HG       GLU  66   0.087   8.395  -6.570
  611    QB   GLU  66           QB       GLU  66   0.609  10.877  -5.910
  612    QG   GLU  66           QG       GLU  66   0.712   8.744  -7.089
  613    H    GLY  67           H        GLY  67   3.631  11.354  -3.776
  614   1HA   GLY  67          1HA       GLY  67   2.551  11.984  -1.348
  615   2HA   GLY  67          2HA       GLY  67   1.766  13.073  -2.489
  616    QA   GLY  67           QA       GLY  67   2.159  12.528  -1.918
  617    H    HIS  68           H        HIS  68   3.101  14.557  -0.852
  618    HA   HIS  68           HA       HIS  68   5.451  15.466  -2.192
  619   1HB   HIS  68          2HB       HIS  68   4.218  17.124  -0.953
  620   2HB   HIS  68          1HB       HIS  68   4.269  16.211   0.521
  621    HD1  HIS  68          1HD       HIS  68   6.295  16.553   2.068
  622    HD2  HIS  68          2HD       HIS  68   6.344  18.392  -1.554
  623    HE1  HIS  68          1HE       HIS  68   8.377  17.882   2.178
  624    HE2  HIS  68          2HE       HIS  68   8.583  18.884  -0.149
  625    QB   HIS  68           QB       HIS  68   4.243  16.668  -0.216
  626    HA   PRO  69           HA       PRO  69   8.549  12.454  -1.161
  627   1HB   PRO  69          2HB       PRO  69  10.343  14.468  -0.126
  628   2HB   PRO  69          1HB       PRO  69  10.452  13.543  -1.622
  629   1HG   PRO  69          2HG       PRO  69   9.389  16.250  -1.182
  630   2HG   PRO  69          1HG       PRO  69   9.925  15.485  -2.686
  631   1HD   PRO  69          2HD       PRO  69   7.359  16.027  -2.206
  632   2HD   PRO  69          1HD       PRO  69   7.835  14.566  -3.101
  633    QB   PRO  69           QB       PRO  69  10.397  14.005  -0.874
  634    QG   PRO  69           QG       PRO  69   9.657  15.868  -1.934
  635    QD   PRO  69           QD       PRO  69   7.597  15.297  -2.653
  636    H    ALA  70           H        ALA  70   8.225  14.910   1.372
  637    HA   ALA  70           HA       ALA  70   9.317  13.045   3.227
  638   1HB   ALA  70          2HB       ALA  70   9.542  15.595   3.372
  639   2HB   ALA  70          3HB       ALA  70   9.229  14.673   4.880
  640   3HB   ALA  70          1HB       ALA  70   7.914  15.509   4.040
  641    MB   ALA  70           QB       ALA  70   8.895  15.259   4.097
  642    H    ALA  71           H        ALA  71   6.162  13.801   2.346
  643    HA   ALA  71           HA       ALA  71   4.860  12.646   4.553
  644   1HB   ALA  71          1HB       ALA  71   4.191  12.661   1.697
  645   2HB   ALA  71          3HB       ALA  71   3.024  12.307   2.962
  646   3HB   ALA  71          2HB       ALA  71   3.706  13.952   2.832
  647    MB   ALA  71           QB       ALA  71   3.640  12.973   2.497
  648    H    VAL  72           H        VAL  72   5.926  11.623   1.461
  649    HA   VAL  72           HA       VAL  72   5.212   8.922   1.367
  650    HB   VAL  72           HB       VAL  72   7.821   9.972   0.275
  651   1HG1  VAL  72          3HG1      VAL  72   7.250   7.631  -0.006
  652   2HG1  VAL  72          2HG1      VAL  72   5.776   8.190  -0.809
  653   3HG1  VAL  72          1HG1      VAL  72   7.348   8.519  -1.553
  654   1HG2  VAL  72          3HG2      VAL  72   5.096  10.557  -0.827
  655   2HG2  VAL  72          2HG2      VAL  72   6.366  11.674  -0.227
  656   3HG2  VAL  72          1HG2      VAL  72   6.636  10.746  -1.708
  657    MG1  VAL  72           QG1      VAL  72   6.791   8.113  -0.789
  658    MG2  VAL  72           QG2      VAL  72   6.033  10.992  -0.921
  659    QG   VAL  72           QQG      VAL  72   6.412   9.553  -0.855
  660    H    ALA  73           H        ALA  73   8.125  10.540   2.478
  661    HA   ALA  73           HA       ALA  73   9.362   8.202   3.304
  662   1HB   ALA  73          3HB       ALA  73   9.903  10.981   4.158
  663   2HB   ALA  73          2HB       ALA  73  10.900   9.486   4.420
  664   3HB   ALA  73          1HB       ALA  73  10.618  10.096   2.769
  665    MB   ALA  73           QB       ALA  73  10.474  10.188   3.783
  666    H    GLU  74           H        GLU  74   7.425  10.541   5.087
  667    HA   GLU  74           HA       GLU  74   7.815   9.488   7.701
  668   1HB   GLU  74          2HB       GLU  74   6.609  11.648   7.216
  669   2HB   GLU  74          1HB       GLU  74   5.275  10.716   6.562
  670   1HG   GLU  74          2HG       GLU  74   5.844   9.787   9.206
  671   2HG   GLU  74          1HG       GLU  74   5.681  11.538   9.234
  672    QB   GLU  74           QB       GLU  74   5.942  11.182   6.889
  673    QG   GLU  74           QG       GLU  74   5.762  10.663   9.220
  674    H    VAL  75           H        VAL  75   5.540   8.794   5.179
  675    HA   VAL  75           HA       VAL  75   4.264   6.615   6.301
  676    HB   VAL  75           HB       VAL  75   4.783   7.485   3.447
  677   1HG1  VAL  75          2HG1      VAL  75   3.161   5.114   4.332
  678   2HG1  VAL  75          1HG1      VAL  75   3.167   5.853   2.717
  679   3HG1  VAL  75          3HG1      VAL  75   4.637   5.113   3.343
  680   1HG2  VAL  75          3HG2      VAL  75   2.305   7.389   5.142
  681   2HG2  VAL  75          2HG2      VAL  75   3.242   8.821   4.724
  682   3HG2  VAL  75          1HG2      VAL  75   2.384   7.934   3.467
  683    MG1  VAL  75           QG1      VAL  75   3.655   5.360   3.464
  684    MG2  VAL  75           QG2      VAL  75   2.644   8.048   4.444
  685    QG   VAL  75           QQG      VAL  75   3.149   6.704   3.954
  686    H    MET  76           H        MET  76   7.179   6.685   4.087
  687    HA   MET  76           HA       MET  76   7.781   4.059   4.141
  688   1HB   MET  76          2HB       MET  76   9.690   6.390   4.164
  689   2HB   MET  76          1HB       MET  76  10.170   4.771   3.776
  690   1HG   MET  76          2HG       MET  76   8.036   6.115   2.322
  691   2HG   MET  76          1HG       MET  76   9.716   6.441   1.850
  692   1HE   MET  76          1HE       MET  76   6.699   4.269   2.039
  693   2HE   MET  76          3HE       MET  76   7.043   2.807   1.094
  694   3HE   MET  76          2HE       MET  76   7.734   2.963   2.706
  695    QB   MET  76           QB       MET  76   9.930   5.580   3.970
  696    QG   MET  76           QG       MET  76   8.876   6.278   2.086
  697    ME   MET  76           QE       MET  76   7.159   3.346   1.947
  698    H    SER  77           H        SER  77   8.929   6.486   6.469
  699    HA   SER  77           HA       SER  77  10.506   4.795   8.049
  700   1HB   SER  77          2HB       SER  77  10.401   7.335   8.205
  701   2HB   SER  77          1HB       SER  77   8.860   7.153   9.023
  702    HG   SER  77           HG       SER  77  11.353   6.145   9.855
  703    QB   SER  77           QB       SER  77   9.631   7.244   8.614
  704    H    HIS  78           H        HIS  78   7.079   5.463   8.261
  705    HA   HIS  78           HA       HIS  78   6.674   3.814  10.536
  706   1HB   HIS  78          2HB       HIS  78   4.804   4.975   8.486
  707   2HB   HIS  78          1HB       HIS  78   4.254   3.895   9.764
  708    HD1  HIS  78          1HD       HIS  78   4.072   7.350   9.204
  709    HD2  HIS  78          2HD       HIS  78   5.652   5.113  12.340
  710    HE1  HIS  78          1HE       HIS  78   3.967   8.796  11.178
  711    HE2  HIS  78          2HE       HIS  78   4.424   7.223  13.048
  712    QB   HIS  78           QB       HIS  78   4.529   4.435   9.125
  713    H    ILE  79           H        ILE  79   6.408   3.276   7.126
  714    HA   ILE  79           HA       ILE  79   5.323   0.630   7.264
  715    HB   ILE  79           HB       ILE  79   6.164   2.562   5.220
  716   1HG1  ILE  79          2HG1      ILE  79   3.669   0.914   5.570
  717   2HG1  ILE  79          1HG1      ILE  79   3.924   2.592   6.038
  718   1HG2  ILE  79          2HG2      ILE  79   6.297  -0.301   4.704
  719   2HG2  ILE  79          1HG2      ILE  79   5.630   0.787   3.430
  720   3HG2  ILE  79          3HG2      ILE  79   7.234   1.029   4.095
  721   1HD1  ILE  79          2HD1      ILE  79   4.336   3.087   3.668
  722   2HD1  ILE  79          1HD1      ILE  79   3.777   1.468   3.264
  723   3HD1  ILE  79          3HD1      ILE  79   2.677   2.610   4.079
  724    MG   ILE  79           QG2      ILE  79   6.387   0.505   4.076
  725    MD   ILE  79           QD1      ILE  79   3.597   2.388   3.670
  726    QG   ILE  79           QG1      ILE  79   3.796   1.753   5.804
  727    H    GLN  80           H        GLN  80   8.566   1.796   6.562
  728    HA   GLN  80           HA       GLN  80   9.705  -0.696   6.184
  729   1HB   GLN  80          2HB       GLN  80  10.894   1.936   7.047
  730   2HB   GLN  80          1HB       GLN  80  11.834   0.541   6.517
  731   1HG   GLN  80          2HG       GLN  80   9.829   2.068   4.761
  732   2HG   GLN  80          1HG       GLN  80  11.531   2.099   4.605
  733   1HE2  GLN  80          1HE2      GLN  80   8.828   0.193   4.187
  734   2HE2  GLN  80          2HE2      GLN  80   9.721  -0.903   3.170
  735    QB   GLN  80           QB       GLN  80  11.364   1.239   6.782
  736    QG   GLN  80           QG       GLN  80  10.680   2.083   4.683
  737    QE   GLN  80           QE2      GLN  80   9.275  -0.355   3.679
  738    H    ARG  81           H        ARG  81   8.578   0.752   9.042
  739    HA   ARG  81           HA       ARG  81  10.050  -0.905  10.908
  740   1HB   ARG  81          2HB       ARG  81   7.427   0.589  11.163
  741   2HB   ARG  81          1HB       ARG  81   8.168  -0.316  12.470
  742   1HG   ARG  81          2HG       ARG  81   9.994   1.118  12.567
  743   2HG   ARG  81          1HG       ARG  81   9.511   1.958  11.082
  744   1HD   ARG  81          2HD       ARG  81   8.920   3.274  13.044
  745   2HD   ARG  81          1HD       ARG  81   7.482   2.745  12.188
  746    HE   ARG  81           HE       ARG  81   8.468   1.346  14.587
  747   1HH1  ARG  81          1HH1      ARG  81   5.755   2.697  12.723
  748   2HH1  ARG  81          2HH1      ARG  81   4.660   2.536  13.976
  749   1HH2  ARG  81          1HH2      ARG  81   6.836   1.104  16.347
  750   2HH2  ARG  81          2HH2      ARG  81   5.248   1.619  16.069
  751    QB   ARG  81           QB       ARG  81   7.798   0.137  11.817
  752    QG   ARG  81           QG       ARG  81   9.753   1.538  11.825
  753    QD   ARG  81           QD       ARG  81   8.201   3.009  12.616
  754    QH1  ARG  81           QH1      ARG  81   5.208   2.617  13.349
  755    QH2  ARG  81           QH2      ARG  81   6.042   1.361  16.208
  756    H    ASP  82           H        ASP  82   8.573  -2.030   8.554
  757    HA   ASP  82           HA       ASP  82   6.441  -3.398   8.609
  758   1HB   ASP  82          2HB       ASP  82   7.452  -3.822   6.896
  759   2HB   ASP  82          1HB       ASP  82   9.040  -4.268   7.494
  760    QB   ASP  82           QB       ASP  82   8.246  -4.045   7.195
  761    H    ARG  83           H        ARG  83   5.464  -5.142   8.972
  762    HA   ARG  83           HA       ARG  83   5.746  -6.736  11.239
  763   1HB   ARG  83          2HB       ARG  83   4.215  -5.357  12.754
  764   2HB   ARG  83          1HB       ARG  83   5.852  -4.745  12.555
  765   1HG   ARG  83          2HG       ARG  83   5.055  -3.172  10.866
  766   2HG   ARG  83          1HG       ARG  83   3.419  -3.745  11.079
  767   1HD   ARG  83          2HD       ARG  83   3.605  -3.119  13.540
  768   2HD   ARG  83          1HD       ARG  83   5.106  -2.292  13.128
  769    HE   ARG  83           HE       ARG  83   3.320  -1.262  11.375
  770   1HH1  ARG  83          1HH1      ARG  83   3.423  -1.430  14.944
  771   2HH1  ARG  83          2HH1      ARG  83   2.358  -0.117  15.125
  772   1HH2  ARG  83          1HH2      ARG  83   1.879   0.585  11.743
  773   2HH2  ARG  83          2HH2      ARG  83   1.513   1.013  13.355
  774    QB   ARG  83           QB       ARG  83   5.033  -5.051  12.655
  775    QG   ARG  83           QG       ARG  83   4.237  -3.459  10.972
  776    QD   ARG  83           QD       ARG  83   4.356  -2.705  13.334
  777    QH1  ARG  83           QH1      ARG  83   2.891  -0.774  15.034
  778    QH2  ARG  83           QH2      ARG  83   1.696   0.799  12.549
  779    H    ARG  84           H        ARG  84   3.452  -4.657   9.408
  780    HA   ARG  84           HA       ARG  84   1.474  -6.817   9.395
  781   1HB   ARG  84          2HB       ARG  84   1.222  -3.883   8.942
  782   2HB   ARG  84          1HB       ARG  84   0.055  -5.004   8.266
  783   1HG   ARG  84          2HG       ARG  84  -0.821  -4.076  10.271
  784   2HG   ARG  84          1HG       ARG  84  -0.451  -5.772  10.552
  785   1HD   ARG  84          2HD       ARG  84   1.459  -5.205  11.853
  786   2HD   ARG  84          1HD       ARG  84   1.367  -3.509  11.345
  787    HE   ARG  84           HE       ARG  84  -1.002  -3.828  12.378
  788   1HH1  ARG  84          1HH1      ARG  84   2.090  -4.859  13.827
  789   2HH1  ARG  84          2HH1      ARG  84   1.549  -4.646  15.414
  790   1HH2  ARG  84          1HH2      ARG  84  -1.722  -3.675  14.508
  791   2HH2  ARG  84          2HH2      ARG  84  -0.691  -3.986  15.837
  792    QB   ARG  84           QB       ARG  84   0.639  -4.444   8.604
  793    QG   ARG  84           QG       ARG  84  -0.636  -4.924  10.412
  794    QD   ARG  84           QD       ARG  84   1.413  -4.357  11.599
  795    QH1  ARG  84           QH1      ARG  84   1.820  -4.753  14.620
  796    QH2  ARG  84           QH2      ARG  84  -1.207  -3.830  15.172
  797    H    HIS  85           H        HIS  85   3.890  -6.673   7.572
  798    HA   HIS  85           HA       HIS  85   2.563  -7.595   5.352
  799   1HB   HIS  85          2HB       HIS  85   3.866  -6.060   3.696
  800   2HB   HIS  85          1HB       HIS  85   2.387  -5.447   4.357
  801    HD1  HIS  85          1HD       HIS  85   3.254  -3.047   3.667
  802    HD2  HIS  85          2HD       HIS  85   5.672  -4.872   6.522
  803    HE1  HIS  85          1HE       HIS  85   4.760  -1.309   4.612
  804    HE2  HIS  85          2HE       HIS  85   6.020  -2.416   6.421
  805    QB   HIS  85           QB       HIS  85   3.126  -5.754   4.027
  806    H    SER  86           H        SER  86   4.880  -7.540   3.683
  807    HA   SER  86           HA       SER  86   6.770  -8.577   5.539
  808   1HB   SER  86          2HB       SER  86   5.357  -9.738   3.552
  809   2HB   SER  86          1HB       SER  86   6.989 -10.503   3.691
  810    HG   SER  86           HG       SER  86   5.822 -10.164   6.091
  811    QB   SER  86           QB       SER  86   6.173 -10.120   3.621
  812    H    ASN  87           H        ASN  87   8.521  -7.611   5.242
  813    HA   ASN  87           HA       ASN  87  10.512  -7.066   4.458
  814   1HB   ASN  87          2HB       ASN  87   9.723  -8.116   1.746
  815   2HB   ASN  87          1HB       ASN  87  11.348  -7.636   2.212
  816   1HD2  ASN  87          1HD2      ASN  87  10.488 -10.180   1.250
  817   2HD2  ASN  87          2HD2      ASN  87  10.801 -11.336   2.477
  818    QB   ASN  87           QB       ASN  87  10.535  -7.876   1.979
  819    QD   ASN  87           QD2      ASN  87  10.644 -10.758   1.863
  820    H    VAL  88           H        VAL  88   8.003  -6.013   2.746
  821    HA   VAL  88           HA       VAL  88   7.719  -4.345   1.359
  822    HB   VAL  88           HB       VAL  88   6.727  -3.697   3.230
  823   1HG1  VAL  88          2HG1      VAL  88   8.365  -3.885   4.842
  824   2HG1  VAL  88          1HG1      VAL  88   9.207  -2.391   4.297
  825   3HG1  VAL  88          3HG1      VAL  88   7.524  -2.295   4.884
  826   1HG2  VAL  88          1HG2      VAL  88   6.788  -1.984   1.476
  827   2HG2  VAL  88          3HG2      VAL  88   6.589  -1.294   3.071
  828   3HG2  VAL  88          2HG2      VAL  88   8.144  -1.193   2.312
  829    MG1  VAL  88           QG1      VAL  88   8.366  -2.857   4.674
  830    MG2  VAL  88           QG2      VAL  88   7.174  -1.490   2.286
  831    QG   VAL  88           QQG      VAL  88   7.770  -2.174   3.480
  832    H    GLU  89           H        GLU  89   9.031  -4.695  -0.057
  833    HA   GLU  89           HA       GLU  89  11.491  -3.209  -0.180
  834   1HB   GLU  89          2HB       GLU  89  10.212  -5.109  -2.118
  835   2HB   GLU  89          1HB       GLU  89  11.883  -4.541  -2.145
  836   1HG   GLU  89          2HG       GLU  89  12.499  -5.750  -0.366
  837   2HG   GLU  89          1HG       GLU  89  10.834  -5.785   0.230
  838    QB   GLU  89           QB       GLU  89  11.048  -4.825  -2.132
  839    QG   GLU  89           QG       GLU  89  11.667  -5.767  -0.068
  840    H    ILE  90           H        ILE  90  10.551  -1.213  -0.251
  841    HA   ILE  90           HA       ILE  90   8.969   0.118  -2.087
  842    HB   ILE  90           HB       ILE  90  11.739   1.136  -1.684
  843   1HG1  ILE  90          2HG1      ILE  90  11.327   0.239   0.495
  844   2HG1  ILE  90          1HG1      ILE  90  11.152   1.978   0.585
  845   1HG2  ILE  90          1HG2      ILE  90  10.022   2.605  -2.824
  846   2HG2  ILE  90          3HG2      ILE  90   9.041   2.506  -1.349
  847   3HG2  ILE  90          2HG2      ILE  90  10.576   3.302  -1.309
  848   1HD1  ILE  90          2HD1      ILE  90   8.754   1.751   0.458
  849   2HD1  ILE  90          1HD1      ILE  90   8.930  -0.006   0.398
  850   3HD1  ILE  90          3HD1      ILE  90   9.417   0.880   1.855
  851    MG   ILE  90           QG2      ILE  90   9.879   2.804  -1.827
  852    MD   ILE  90           QD1      ILE  90   9.034   0.875   0.904
  853    QG   ILE  90           QG1      ILE  90  11.240   1.109   0.540
  854    H    LEU  91           H        LEU  91  12.278  -0.242  -2.644
  855    HA   LEU  91           HA       LEU  91  13.547  -0.763  -4.430
  856   1HB   LEU  91          2HB       LEU  91  11.066  -2.117  -5.470
  857   2HB   LEU  91          1HB       LEU  91  12.656  -2.274  -6.181
  858    HG   LEU  91           HG       LEU  91  11.882  -3.207  -3.401
  859   1HD1  LEU  91          2HD1      LEU  91  12.436  -4.742  -5.932
  860   2HD1  LEU  91          1HD1      LEU  91  12.164  -5.442  -4.334
  861   3HD1  LEU  91          3HD1      LEU  91  10.871  -4.554  -5.140
  862   1HD2  LEU  91          3HD2      LEU  91  14.461  -3.529  -4.946
  863   2HD2  LEU  91          2HD2      LEU  91  14.230  -2.523  -3.518
  864   3HD2  LEU  91          1HD2      LEU  91  14.082  -4.272  -3.394
  865    MD1  LEU  91           QD1      LEU  91  11.824  -4.913  -5.135
  866    MD2  LEU  91           QD2      LEU  91  14.258  -3.441  -3.953
  867    QB   LEU  91           QB       LEU  91  11.861  -2.195  -5.826
  868    QD   LEU  91           QQD      LEU  91  13.041  -4.177  -4.544
  869    H    ALA  92           H        ALA  92  10.734   1.095  -4.910
  870    HA   ALA  92           HA       ALA  92  12.132   2.507  -7.060
  871   1HB   ALA  92          2HB       ALA  92  10.623   1.019  -8.232
  872   2HB   ALA  92          3HB       ALA  92  10.063   2.694  -8.362
  873   3HB   ALA  92          1HB       ALA  92   9.277   1.596  -7.235
  874    MB   ALA  92           QB       ALA  92   9.988   1.770  -7.943
  875    H    GLU  93           H        GLU  93  12.319   4.503  -6.349
  876    HA   GLU  93           HA       GLU  93   9.898   5.838  -5.403
  877   1HB   GLU  93          2HB       GLU  93  12.704   6.415  -4.318
  878   2HB   GLU  93          1HB       GLU  93  11.203   7.260  -3.944
  879   1HG   GLU  93          2HG       GLU  93  10.272   5.443  -2.946
  880   2HG   GLU  93          1HG       GLU  93  11.704   4.437  -3.266
  881    QB   GLU  93           QB       GLU  93  11.953   6.838  -4.131
  882    QG   GLU  93           QG       GLU  93  10.988   4.940  -3.106
  883    H    GLU  94           H        GLU  94   9.339   7.240  -6.869
  884    HA   GLU  94           HA       GLU  94  11.437   8.475  -8.509
  885   1HB   GLU  94          2HB       GLU  94   9.729   8.521 -10.366
  886   2HB   GLU  94          1HB       GLU  94  10.337   6.936  -9.925
  887   1HG   GLU  94          2HG       GLU  94   8.311   6.448  -8.722
  888   2HG   GLU  94          1HG       GLU  94   7.688   8.075  -9.032
  889    QB   GLU  94           QB       GLU  94  10.033   7.729 -10.146
  890    QG   GLU  94           QG       GLU  94   7.999   7.262  -8.877
  891    H    SER  95           H        SER  95  11.272  10.652  -8.952
  892    HA   SER  95           HA       SER  95   9.505  12.241  -7.342
  893   1HB   SER  95          2HB       SER  95  10.636  14.061  -8.825
  894   2HB   SER  95          1HB       SER  95  11.630  13.183  -7.660
  895    HG   SER  95           HG       SER  95  11.937  13.358 -10.278
  896    QB   SER  95           QB       SER  95  11.133  13.622  -8.242
  897    H    ILE  96           H        ILE  96   7.582  12.961  -7.865
  898    HA   ILE  96           HA       ILE  96   6.757  12.529 -10.654
  899    HB   ILE  96           HB       ILE  96   4.593  11.930  -9.996
  900   1HG1  ILE  96          2HG1      ILE  96   5.613  11.523  -7.204
  901   2HG1  ILE  96          1HG1      ILE  96   4.831  13.019  -7.682
  902   1HG2  ILE  96          2HG2      ILE  96   6.287  10.254 -10.504
  903   2HG2  ILE  96          1HG2      ILE  96   6.768  10.200  -8.812
  904   3HG2  ILE  96          3HG2      ILE  96   5.167   9.625  -9.289
  905   1HD1  ILE  96          2HD1      ILE  96   3.462  10.391  -8.056
  906   2HD1  ILE  96          1HD1      ILE  96   3.466  11.308  -6.518
  907   3HD1  ILE  96          3HD1      ILE  96   2.839  12.046  -7.958
  908    MG   ILE  96           QG2      ILE  96   6.074  10.026  -9.535
  909    MD   ILE  96           QD1      ILE  96   3.256  11.248  -7.510
  910    QG   ILE  96           QG1      ILE  96   5.222  12.271  -7.443
  911    H    ALA  97           H        ALA  97   4.721  13.501 -11.262
  912    HA   ALA  97           HA       ALA  97   4.506  16.183 -10.167
  913   1HB   ALA  97          1HB       ALA  97   4.967  15.955 -12.608
  914   2HB   ALA  97          2HB       ALA  97   3.443  16.805 -12.194
  915   3HB   ALA  97          3HB       ALA  97   3.391  15.117 -12.677
  916    MB   ALA  97           QB       ALA  97   3.934  15.959 -12.493
  917    H    LYS  98           H        LYS  98   3.356  13.488  -9.807
  918    HA   LYS  98           HA       LYS  98   1.494  12.391  -9.124
  919   1HB   LYS  98          2HB       LYS  98   2.122  14.161  -7.583
  920   2HB   LYS  98          1HB       LYS  98   0.817  15.108  -8.237
  921   1HG   LYS  98          2HG       LYS  98  -0.099  12.520  -7.516
  922   2HG   LYS  98          1HG       LYS  98   0.965  13.198  -6.343
  923   1HD   LYS  98          2HD       LYS  98  -0.834  15.209  -7.100
  924   2HD   LYS  98          1HD       LYS  98  -1.691  13.811  -6.370
  925   1HE   LYS  98          2HE       LYS  98  -0.026  13.790  -4.729
  926   2HE   LYS  98          1HE       LYS  98   0.683  15.265  -5.408
  927   1HZ   LYS  98          2HZ       LYS  98  -2.092  15.080  -4.284
  928   2HZ   LYS  98          1HZ       LYS  98  -0.802  15.834  -3.501
  929   3HZ   LYS  98          3HZ       LYS  98  -1.389  16.458  -4.949
  930    QB   LYS  98           QB       LYS  98   1.470  14.634  -7.910
  931    QD   LYS  98           QD       LYS  98  -1.262  14.510  -6.735
  932    QG   LYS  98           QG       LYS  98   0.433  12.859  -6.930
  933    QE   LYS  98           QE       LYS  98   0.328  14.528  -5.069
  934    QZ   LYS  98           QZ       LYS  98  -1.428  15.791  -4.245
  935    H    ARG  99           H        ARG  99  -1.034  12.978  -8.916
  936    HA   ARG  99           HA       ARG  99  -3.048  13.528  -9.870
  937   1HB   ARG  99          2HB       ARG  99  -1.322  14.720 -12.042
  938   2HB   ARG  99          1HB       ARG  99  -3.079  14.677 -12.194
  939   1HG   ARG  99          2HG       ARG  99  -1.620  16.055  -9.940
  940   2HG   ARG  99          1HG       ARG  99  -1.980  16.852 -11.466
  941   1HD   ARG  99          2HD       ARG  99  -3.694  17.493  -9.968
  942   2HD   ARG  99          1HD       ARG  99  -4.402  16.295 -11.035
  943    HE   ARG  99           HE       ARG  99  -3.391  15.364  -8.479
  944   1HH1  ARG  99          1HH1      ARG  99  -6.208  16.368 -10.399
  945   2HH1  ARG  99          2HH1      ARG  99  -7.357  15.705  -9.342
  946   1HH2  ARG  99          1HH2      ARG  99  -5.029  14.525  -6.930
  947   2HH2  ARG  99          2HH2      ARG  99  -6.678  14.669  -7.348
  948    QB   ARG  99           QB       ARG  99  -2.200  14.698 -12.118
  949    QG   ARG  99           QG       ARG  99  -1.800  16.454 -10.703
  950    QD   ARG  99           QD       ARG  99  -4.048  16.894 -10.501
  951    QH1  ARG  99           QH1      ARG  99  -6.783  16.037  -9.870
  952    QH2  ARG  99           QH2      ARG  99  -5.854  14.597  -7.139
  953    H    ARG 100           H        ARG 100  -1.556  11.102 -10.057
  954    HA   ARG 100           HA       ARG 100  -2.496   9.994 -12.548
  955   1HB   ARG 100          2HB       ARG 100  -1.133   8.681 -10.205
  956   2HB   ARG 100          1HB       ARG 100  -1.398   7.965 -11.792
  957   1HG   ARG 100          2HG       ARG 100   0.053   9.569 -12.818
  958   2HG   ARG 100          1HG       ARG 100   0.194  10.435 -11.280
  959   1HD   ARG 100          2HD       ARG 100   1.300   8.496 -10.280
  960   2HD   ARG 100          1HD       ARG 100   1.107   7.586 -11.774
  961    HE   ARG 100           HE       ARG 100   2.492   9.969 -12.283
  962   1HH1  ARG 100          1HH1      ARG 100   3.048   6.772 -10.756
  963   2HH1  ARG 100          2HH1      ARG 100   4.720   6.829 -11.030
  964   1HH2  ARG 100          1HH2      ARG 100   4.842   9.911 -12.644
  965   2HH2  ARG 100          2HH2      ARG 100   5.730   8.557 -12.035
  966    QB   ARG 100           QB       ARG 100  -1.266   8.323 -10.998
  967    QG   ARG 100           QG       ARG 100   0.124  10.002 -12.049
  968    QD   ARG 100           QD       ARG 100   1.204   8.041 -11.027
  969    QH1  ARG 100           QH1      ARG 100   3.884   6.800 -10.893
  970    QH2  ARG 100           QH2      ARG 100   5.286   9.234 -12.340
  971    H    PHE 101           H        PHE 101  -2.964   9.208  -9.061
  972    HA   PHE 101           HA       PHE 101  -5.431   7.920  -9.953
  973   1HB   PHE 101          2HB       PHE 101  -3.547   7.110  -7.798
  974   2HB   PHE 101          1HB       PHE 101  -5.249   6.694  -7.614
  975    HD1  PHE 101          1HD       PHE 101  -5.951   4.687  -8.444
  976    HD2  PHE 101          2HD       PHE 101  -2.563   6.547 -10.222
  977    HE1  PHE 101          1HE       PHE 101  -5.681   2.757  -9.941
  978    HE2  PHE 101          2HE       PHE 101  -2.289   4.615 -11.720
  979    HZ   PHE 101           HZ       PHE 101  -3.850   2.719 -11.581
  980    QB   PHE 101           QB       PHE 101  -4.398   6.902  -7.706
  981    QD   PHE 101           QD       PHE 101  -4.257   5.617  -9.333
  982    QE   PHE 101           QE       PHE 101  -3.985   3.686 -10.830
  983    QR   PHE 101           QR       PHE 101  -4.067   4.265 -10.382
  984    H    ALA 102           H        ALA 102  -4.426  10.400  -8.356
  985    HA   ALA 102           HA       ALA 102  -5.467  12.220  -7.419
  986   1HB   ALA 102          1HB       ALA 102  -6.935  11.972  -9.363
  987   2HB   ALA 102          2HB       ALA 102  -7.757  12.682  -7.968
  988   3HB   ALA 102          3HB       ALA 102  -8.015  10.986  -8.379
  989    MB   ALA 102           QB       ALA 102  -7.569  11.880  -8.570
  990    H    GLY 103           H        GLY 103  -6.522   9.252  -6.239
  991   1HA   GLY 103          1HA       GLY 103  -8.050   9.513  -4.088
  992   2HA   GLY 103          2HA       GLY 103  -6.594  10.372  -3.550
  993    QA   GLY 103           QA       GLY 103  -7.322   9.942  -3.819
  994    H    TRP 104           H        TRP 104  -6.496   8.380  -1.921
  995    HA   TRP 104           HA       TRP 104  -4.983   6.316  -3.274
  996   1HB   TRP 104          2HB       TRP 104  -3.932   7.171  -1.235
  997   2HB   TRP 104          1HB       TRP 104  -5.411   6.914  -0.335
  998    HD1  TRP 104           HD       TRP 104  -2.241   5.091  -1.389
  999    HE1  TRP 104          1HE       TRP 104  -2.261   2.781  -0.309
 1000    HE3  TRP 104          3HE       TRP 104  -7.021   5.075   0.389
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.170   1.166   1.150
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.836   3.359   1.504
 1003    HH2  TRP 104           HH       TRP 104  -6.546   1.375   1.943
 1004    QB   TRP 104           QB       TRP 104  -4.671   7.043  -0.785
 1005    H    HIS 105           H        HIS 105  -5.483   4.096  -3.278
 1006    HA   HIS 105           HA       HIS 105  -8.309   3.535  -2.701
 1007   1HB   HIS 105          2HB       HIS 105  -6.742   3.108  -5.202
 1008   2HB   HIS 105          1HB       HIS 105  -8.332   2.359  -4.936
 1009    HD1  HIS 105          1HD       HIS 105  -6.604   5.495  -5.937
 1010    HD2  HIS 105          2HD       HIS 105 -10.475   4.285  -5.038
 1011    HE1  HIS 105          1HE       HIS 105  -8.097   7.304  -6.806
 1012    HE2  HIS 105          2HE       HIS 105 -10.410   6.408  -6.487
 1013    QB   HIS 105           QB       HIS 105  -7.537   2.733  -5.069
 1014    H    MET 106           H        MET 106  -8.695   1.254  -2.437
 1015    HA   MET 106           HA       MET 106  -6.331  -0.448  -2.526
 1016   1HB   MET 106          2HB       MET 106  -6.952   0.153  -0.131
 1017   2HB   MET 106          1HB       MET 106  -8.506  -0.625  -0.408
 1018   1HG   MET 106          2HG       MET 106  -7.370  -2.748  -0.831
 1019   2HG   MET 106          1HG       MET 106  -5.815  -1.960  -0.587
 1020   1HE   MET 106          2HE       MET 106  -6.432  -4.582   0.952
 1021   2HE   MET 106          1HE       MET 106  -4.977  -3.655   1.312
 1022   3HE   MET 106          3HE       MET 106  -6.040  -4.171   2.624
 1023    QB   MET 106           QB       MET 106  -7.729  -0.236  -0.269
 1024    QG   MET 106           QG       MET 106  -6.592  -2.354  -0.709
 1025    ME   MET 106           QE       MET 106  -5.816  -4.136   1.629
 1026    H    GLN 107           H        GLN 107  -6.754  -2.309  -3.677
 1027    HA   GLN 107           HA       GLN 107  -9.351  -2.337  -4.945
 1028   1HB   GLN 107          2HB       GLN 107  -8.419  -3.781  -6.593
 1029   2HB   GLN 107          1HB       GLN 107  -7.161  -2.629  -6.192
 1030   1HG   GLN 107          2HG       GLN 107  -5.884  -4.492  -6.203
 1031   2HG   GLN 107          1HG       GLN 107  -6.480  -4.665  -4.547
 1032   1HE2  GLN 107          1HE2      GLN 107  -6.277  -7.008  -4.627
 1033   2HE2  GLN 107          2HE2      GLN 107  -7.370  -7.900  -5.579
 1034    QB   GLN 107           QB       GLN 107  -7.790  -3.205  -6.392
 1035    QG   GLN 107           QG       GLN 107  -6.182  -4.579  -5.375
 1036    QE   GLN 107           QE2      GLN 107  -6.824  -7.454  -5.103
 1037    H    LEU 108           H        LEU 108  -8.785  -3.234  -2.120
 1038    HA   LEU 108           HA       LEU 108  -9.171  -5.998  -1.848
 1039   1HB   LEU 108          2HB       LEU 108  -8.339  -4.597  -0.033
 1040   2HB   LEU 108          1HB       LEU 108  -9.870  -3.757   0.046
 1041    HG   LEU 108           HG       LEU 108 -10.956  -5.856   0.808
 1042   1HD1  LEU 108          1HD1      LEU 108  -8.147  -6.945   0.816
 1043   2HD1  LEU 108          3HD1      LEU 108  -9.553  -7.726   1.544
 1044   3HD1  LEU 108          2HD1      LEU 108  -9.491  -7.488  -0.200
 1045   1HD2  LEU 108          2HD2      LEU 108  -8.578  -4.978   2.449
 1046   2HD2  LEU 108          1HD2      LEU 108 -10.176  -4.222   2.440
 1047   3HD2  LEU 108          3HD2      LEU 108  -9.971  -5.861   3.058
 1048    MD1  LEU 108           QD1      LEU 108  -9.064  -7.386   0.720
 1049    MD2  LEU 108           QD2      LEU 108  -9.575  -5.021   2.649
 1050    QB   LEU 108           QB       LEU 108  -9.104  -4.177   0.006
 1051    QD   LEU 108           QQD      LEU 108  -9.319  -6.203   1.685
 1052    H    SER 109           H        SER 109 -11.557  -3.390  -1.216
 1053    HA   SER 109           HA       SER 109 -13.769  -3.316  -1.234
 1054   1HB   SER 109          2HB       SER 109 -13.340  -3.480  -3.695
 1055   2HB   SER 109          1HB       SER 109 -13.460  -5.226  -3.597
 1056    HG   SER 109           HG       SER 109 -15.688  -4.228  -2.550
 1057    QB   SER 109           QB       SER 109 -13.400  -4.353  -3.646
 1058    H    CYS 110           H        CYS 110 -14.012  -6.570  -2.409
 1059    HA   CYS 110           HA       CYS 110 -14.198  -7.824   0.189
 1060   1HB   CYS 110          2HB       CYS 110 -16.568  -7.742  -1.726
 1061   2HB   CYS 110          1HB       CYS 110 -16.456  -8.799  -0.326
 1062    HG   CYS 110           HG       CYS 110 -15.946  -5.722   0.580
 1063    QB   CYS 110           QB       CYS 110 -16.512  -8.271  -1.026
 1064    H    SER 111           H        SER 111 -12.567  -7.772  -2.254
 1065    HA   SER 111           HA       SER 111 -11.807  -8.825  -3.978
 1066   1HB   SER 111          2HB       SER 111 -11.499 -11.412  -3.675
 1067   2HB   SER 111          1HB       SER 111 -10.675 -10.320  -2.565
 1068    HG   SER 111           HG       SER 111 -12.843 -10.690  -1.342
 1069    QB   SER 111           QB       SER 111 -11.087 -10.866  -3.120
 1070    H    GLU 112           H        GLU 112 -14.343 -11.204  -3.308
 1071    HA   GLU 112           HA       GLU 112 -15.938 -10.072  -5.304
 1072   1HB   GLU 112          2HB       GLU 112 -16.152 -11.913  -6.898
 1073   2HB   GLU 112          1HB       GLU 112 -14.477 -11.402  -6.848
 1074   1HG   GLU 112          2HG       GLU 112 -15.694 -13.897  -5.665
 1075   2HG   GLU 112          1HG       GLU 112 -14.660 -13.787  -7.075
 1076    QB   GLU 112           QB       GLU 112 -15.315 -11.658  -6.873
 1077    QG   GLU 112           QG       GLU 112 -15.177 -13.842  -6.370
 1078    H    ALA 113           H        ALA 113 -15.379 -13.080  -3.486
 1079    HA   ALA 113           HA       ALA 113 -16.716 -14.344  -2.163
 1080   1HB   ALA 113          2HB       ALA 113 -16.865 -12.280  -0.803
 1081   2HB   ALA 113          3HB       ALA 113 -18.382 -13.178  -0.744
 1082   3HB   ALA 113          1HB       ALA 113 -18.243 -11.742  -1.760
 1083    MB   ALA 113           QB       ALA 113 -17.830 -12.400  -1.102
 1084    H    ASP 114           H        ASP 114 -17.213 -13.981  -4.906
 1085    HA   ASP 114           HA       ASP 114 -20.102 -14.204  -5.314
 1086   1HB   ASP 114          2HB       ASP 114 -18.506 -12.762  -6.657
 1087   2HB   ASP 114          1HB       ASP 114 -17.915 -14.255  -7.349
 1088    QB   ASP 114           QB       ASP 114 -18.211 -13.508  -7.003
 1089    H    MET 115           H        MET 115 -17.130 -15.822  -6.284
 1090    HA   MET 115           HA       MET 115 -18.660 -18.337  -6.358
 1091   1HB   MET 115          2HB       MET 115 -16.161 -17.628  -7.873
 1092   2HB   MET 115          1HB       MET 115 -16.902 -19.210  -7.853
 1093   1HG   MET 115          2HG       MET 115 -18.935 -18.277  -8.846
 1094   2HG   MET 115          1HG       MET 115 -18.179 -16.688  -8.878
 1095   1HE   MET 115          1HE       MET 115 -18.136 -20.339 -10.282
 1096   2HE   MET 115          3HE       MET 115 -16.757 -20.294 -11.376
 1097   3HE   MET 115          2HE       MET 115 -16.500 -20.197  -9.639
 1098    QB   MET 115           QB       MET 115 -16.532 -18.419  -7.863
 1099    QG   MET 115           QG       MET 115 -18.557 -17.482  -8.862
 1100    ME   MET 115           QE       MET 115 -17.131 -20.277 -10.432
 1101    H    ARG 116           H        ARG 116 -15.463 -16.985  -5.599
 1102    HA   ARG 116           HA       ARG 116 -13.858 -17.563  -4.151
 1103   1HB   ARG 116          2HB       ARG 116 -16.029 -19.238  -2.886
 1104   2HB   ARG 116          1HB       ARG 116 -14.412 -19.034  -2.214
 1105   1HG   ARG 116          2HG       ARG 116 -16.515 -16.897  -2.536
 1106   2HG   ARG 116          1HG       ARG 116 -15.999 -17.651  -1.029
 1107   1HD   ARG 116          2HD       ARG 116 -13.641 -16.796  -1.714
 1108   2HD   ARG 116          1HD       ARG 116 -14.560 -15.732  -2.793
 1109    HE   ARG 116           HE       ARG 116 -15.458 -15.694  -0.075
 1110   1HH1  ARG 116          1HH1      ARG 116 -13.413 -14.147  -2.498
 1111   2HH1  ARG 116          2HH1      ARG 116 -12.957 -12.838  -1.521
 1112   1HH2  ARG 116          1HH2      ARG 116 -14.882 -13.834   1.293
 1113   2HH2  ARG 116          2HH2      ARG 116 -13.855 -12.636   0.676
 1114    QB   ARG 116           QB       ARG 116 -15.220 -19.136  -2.550
 1115    QG   ARG 116           QG       ARG 116 -16.257 -17.274  -1.783
 1116    QD   ARG 116           QD       ARG 116 -14.100 -16.264  -2.253
 1117    QH1  ARG 116           QH1      ARG 116 -13.185 -13.492  -2.009
 1118    QH2  ARG 116           QH2      ARG 116 -14.369 -13.235   0.984
 1119    H    SER 117           H        SER 117 -14.467 -18.981  -6.659
 1120    HA   SER 117           HA       SER 117 -13.729 -21.706  -6.336
 1121   1HB   SER 117          2HB       SER 117 -13.453 -21.415  -8.894
 1122   2HB   SER 117          1HB       SER 117 -15.066 -21.218  -8.199
 1123    HG   SER 117           HG       SER 117 -13.567 -19.432  -9.532
 1124    QB   SER 117           QB       SER 117 -14.260 -21.316  -8.547
 1125    H    LEU 118           H        LEU 118 -12.141 -19.033  -5.902
 1126    HA   LEU 118           HA       LEU 118  -9.548 -19.193  -6.915
 1127   1HB   LEU 118          2HB       LEU 118 -10.396 -18.372  -4.148
 1128   2HB   LEU 118          1HB       LEU 118  -8.938 -17.889  -4.983
 1129    HG   LEU 118           HG       LEU 118 -11.709 -17.163  -5.890
 1130   1HD1  LEU 118          3HD1      LEU 118 -11.227 -16.217  -3.701
 1131   2HD1  LEU 118          2HD1      LEU 118  -9.703 -15.567  -4.304
 1132   3HD1  LEU 118          1HD1      LEU 118 -11.236 -14.967  -4.947
 1133   1HD2  LEU 118          2HD2      LEU 118  -8.973 -16.159  -6.669
 1134   2HD2  LEU 118          1HD2      LEU 118 -10.038 -17.147  -7.668
 1135   3HD2  LEU 118          3HD2      LEU 118 -10.499 -15.498  -7.246
 1136    MD1  LEU 118           QD1      LEU 118 -10.722 -15.584  -4.318
 1137    MD2  LEU 118           QD2      LEU 118  -9.837 -16.268  -7.195
 1138    QB   LEU 118           QB       LEU 118  -9.667 -18.131  -4.565
 1139    QD   LEU 118           QQD      LEU 118 -10.279 -15.926  -5.756
 1140    H    GLY 119           H        GLY 119 -11.188 -20.957  -4.390
 1141   1HA   GLY 119          1HA       GLY 119  -8.908 -21.959  -3.062
 1142   2HA   GLY 119          2HA       GLY 119  -9.420 -23.093  -4.304
 1143    QA   GLY 119           QA       GLY 119  -9.164 -22.526  -3.683
 1144    H    LEU 120           H        LEU 120 -11.933 -21.229  -2.813
 1145    HA   LEU 120           HA       LEU 120 -12.383 -23.204  -0.756
 1146   1HB   LEU 120          2HB       LEU 120 -13.886 -20.748  -1.588
 1147   2HB   LEU 120          1HB       LEU 120 -14.497 -21.856  -0.386
 1148    HG   LEU 120           HG       LEU 120 -12.493 -21.310   1.035
 1149   1HD1  LEU 120          1HD1      LEU 120 -10.956 -20.604  -0.705
 1150   2HD1  LEU 120          3HD1      LEU 120 -11.966 -19.194  -1.042
 1151   3HD1  LEU 120          2HD1      LEU 120 -11.150 -19.353   0.518
 1152   1HD2  LEU 120          1HD2      LEU 120 -14.622 -20.186   1.393
 1153   2HD2  LEU 120          3HD2      LEU 120 -13.269 -19.101   1.716
 1154   3HD2  LEU 120          2HD2      LEU 120 -14.178 -18.951   0.212
 1155    MD1  LEU 120           QD1      LEU 120 -11.358 -19.717  -0.410
 1156    MD2  LEU 120           QD2      LEU 120 -14.023 -19.413   1.107
 1157    QB   LEU 120           QB       LEU 120 -14.192 -21.302  -0.987
 1158    QD   LEU 120           QQD      LEU 120 -12.691 -19.565   0.348
 1159    H    ALA 121           H        ALA 121 -14.699 -21.817  -3.037
 1160    HA   ALA 121           HA       ALA 121 -15.880 -24.381  -3.247
 1161   1HB   ALA 121          1HB       ALA 121 -17.622 -23.263  -4.612
 1162   2HB   ALA 121          2HB       ALA 121 -16.690 -21.762  -4.524
 1163   3HB   ALA 121          3HB       ALA 121 -17.372 -22.461  -3.059
 1164    MB   ALA 121           QB       ALA 121 -17.228 -22.495  -4.065
 1165    H    GLU 122           H        GLU 122 -14.079 -25.258  -4.176
 1166    HA   GLU 122           HA       GLU 122 -13.824 -24.973  -7.076
 1167   1HB   GLU 122          2HB       GLU 122 -12.039 -23.654  -5.736
 1168   2HB   GLU 122          1HB       GLU 122 -11.466 -25.206  -5.171
 1169   1HG   GLU 122          2HG       GLU 122 -11.553 -24.385  -8.069
 1170   2HG   GLU 122          1HG       GLU 122 -10.159 -24.171  -7.026
 1171    QB   GLU 122           QB       GLU 122 -11.752 -24.430  -5.454
 1172    QG   GLU 122           QG       GLU 122 -10.856 -24.278  -7.548
 1173    H    SER 123           H        SER 123 -12.669 -26.600  -4.157
 1174    HA   SER 123           HA       SER 123 -13.019 -28.576  -3.274
 1175   1HB   SER 123          2HB       SER 123 -14.840 -29.180  -5.599
 1176   2HB   SER 123          1HB       SER 123 -14.757 -30.050  -4.065
 1177    HG   SER 123           HG       SER 123 -15.905 -28.532  -3.144
 1178    QB   SER 123           QB       SER 123 -14.799 -29.615  -4.832
 1179    H    ARG 124           H        ARG 124 -11.871 -30.329  -3.127
 1180    HA   ARG 124           HA       ARG 124 -10.834 -31.534  -5.517
 1181   1HB   ARG 124          2HB       ARG 124  -8.645 -31.969  -4.428
 1182   2HB   ARG 124          1HB       ARG 124  -8.920 -30.257  -4.647
 1183   1HG   ARG 124          2HG       ARG 124  -9.530 -31.624  -2.081
 1184   2HG   ARG 124          1HG       ARG 124  -7.878 -31.105  -2.444
 1185   1HD   ARG 124          2HD       ARG 124  -8.649 -28.805  -2.681
 1186   2HD   ARG 124          1HD       ARG 124 -10.319 -29.313  -2.408
 1187    HE   ARG 124           HE       ARG 124  -9.323 -30.122  -0.173
 1188   1HH1  ARG 124          1HH1      ARG 124  -8.277 -27.138  -1.810
 1189   2HH1  ARG 124          2HH1      ARG 124  -8.034 -26.293  -0.351
 1190   1HH2  ARG 124          1HH2      ARG 124  -8.991 -28.943   1.769
 1191   2HH2  ARG 124          2HH2      ARG 124  -8.427 -27.343   1.713
 1192    QB   ARG 124           QB       ARG 124  -8.783 -31.113  -4.537
 1193    QG   ARG 124           QG       ARG 124  -8.704 -31.365  -2.262
 1194    QD   ARG 124           QD       ARG 124  -9.484 -29.059  -2.545
 1195    QH1  ARG 124           QH1      ARG 124  -8.156 -26.716  -1.081
 1196    QH2  ARG 124           QH2      ARG 124  -8.709 -28.143   1.741
 1197    H    GLN 125           H        GLN 125 -11.402 -33.415  -5.577
 1198    HA   GLN 125           HA       GLN 125 -12.250 -34.877  -3.156
 1199   1HB   GLN 125          2HB       GLN 125 -14.071 -34.107  -4.679
 1200   2HB   GLN 125          1HB       GLN 125 -13.349 -35.059  -5.961
 1201   1HG   GLN 125          2HG       GLN 125 -13.723 -37.084  -4.591
 1202   2HG   GLN 125          1HG       GLN 125 -14.575 -36.075  -3.419
 1203   1HE2  GLN 125          1HE2      GLN 125 -16.597 -35.157  -4.014
 1204   2HE2  GLN 125          2HE2      GLN 125 -17.481 -35.779  -5.346
 1205    QB   GLN 125           QB       GLN 125 -13.710 -34.583  -5.320
 1206    QG   GLN 125           QG       GLN 125 -14.149 -36.580  -4.005
 1207    QE   GLN 125           QE2      GLN 125 -17.039 -35.468  -4.680

  No H/Q in entry =        1207
  Start of MODEL    6
    1    H1   LEU   5          1HT       LEU   5  -7.251  28.476 -26.574
    2    H2   LEU   5          3HT       LEU   5  -8.485  27.322 -26.643
    3    H3   LEU   5          2HT       LEU   5  -8.299  28.294 -25.269
    4    HA   LEU   5           HA       LEU   5  -7.481  26.169 -24.792
    5   1HB   LEU   5          2HB       LEU   5  -6.981  25.509 -27.099
    6   2HB   LEU   5          1HB       LEU   5  -5.670  26.674 -27.144
    7    HG   LEU   5           HG       LEU   5  -4.420  25.362 -25.506
    8   1HD1  LEU   5          2HD1      LEU   5  -6.742  23.437 -25.624
    9   2HD1  LEU   5          1HD1      LEU   5  -5.198  23.151 -24.821
   10   3HD1  LEU   5          3HD1      LEU   5  -6.270  24.422 -24.240
   11   1HD2  LEU   5          3HD2      LEU   5  -4.128  24.887 -27.871
   12   2HD2  LEU   5          2HD2      LEU   5  -3.957  23.421 -26.904
   13   3HD2  LEU   5          1HD2      LEU   5  -5.441  23.713 -27.811
   14    MD1  LEU   5           QD1      LEU   5  -6.070  23.670 -24.895
   15    MD2  LEU   5           QD2      LEU   5  -4.509  24.007 -27.529
   16    QB   LEU   5           QB       LEU   5  -6.326  26.091 -27.122
   17    QD   LEU   5           QQD      LEU   5  -5.289  23.838 -26.212
   18    H    GLU   6           H        GLU   6  -6.083  26.144 -23.215
   19    HA   GLU   6           HA       GLU   6  -4.460  28.511 -22.762
   20   1HB   GLU   6          2HB       GLU   6  -6.271  28.055 -21.104
   21   2HB   GLU   6          1HB       GLU   6  -5.538  26.467 -20.904
   22   1HG   GLU   6          2HG       GLU   6  -5.157  28.090 -19.119
   23   2HG   GLU   6          1HG       GLU   6  -3.663  27.413 -19.789
   24    QB   GLU   6           QB       GLU   6  -5.904  27.261 -21.004
   25    QG   GLU   6           QG       GLU   6  -4.410  27.752 -19.454
   26    H    ALA   7           H        ALA   7  -2.473  28.138 -21.722
   27    HA   ALA   7           HA       ALA   7  -0.801  26.248 -22.954
   28   1HB   ALA   7          1HB       ALA   7  -0.387  27.676 -20.329
   29   2HB   ALA   7          3HB       ALA   7   0.856  26.857 -21.273
   30   3HB   ALA   7          2HB       ALA   7   0.051  28.290 -21.923
   31    MB   ALA   7           QB       ALA   7   0.173  27.607 -21.175
   32    H    ASP   8           H        ASP   8  -0.242  24.217 -22.438
   33    HA   ASP   8           HA       ASP   8  -1.924  22.816 -20.602
   34   1HB   ASP   8          2HB       ASP   8  -1.197  21.928 -22.851
   35   2HB   ASP   8          1HB       ASP   8   0.427  21.787 -22.193
   36    QB   ASP   8           QB       ASP   8  -0.385  21.857 -22.522
   37    H    VAL   9           H        VAL   9  -1.333  22.086 -18.614
   38    HA   VAL   9           HA       VAL   9   0.717  23.334 -17.418
   39    HB   VAL   9           HB       VAL   9   0.229  22.002 -15.383
   40   1HG1  VAL   9          2HG1      VAL   9  -1.010  24.038 -15.876
   41   2HG1  VAL   9          1HG1      VAL   9  -2.164  23.114 -16.840
   42   3HG1  VAL   9          3HG1      VAL   9  -2.051  22.849 -15.102
   43   1HG2  VAL   9          3HG2      VAL   9  -1.701  20.662 -17.230
   44   2HG2  VAL   9          2HG2      VAL   9  -0.289  19.931 -16.470
   45   3HG2  VAL   9          1HG2      VAL   9  -1.669  20.437 -15.471
   46    MG1  VAL   9           QG1      VAL   9  -1.742  23.334 -15.939
   47    MG2  VAL   9           QG2      VAL   9  -1.220  20.343 -16.390
   48    QG   VAL   9           QQG      VAL   9  -1.481  21.838 -16.165
   49    H    THR  10           H        THR  10   0.746  20.496 -19.238
   50    HA   THR  10           HA       THR  10   2.100  18.769 -19.630
   51    HB   THR  10           HB       THR  10   4.405  19.148 -19.686
   52    HG1  THR  10          1HG       THR  10   3.884  21.330 -17.922
   53   1HG2  THR  10          2HG2      THR  10   2.952  21.700 -20.346
   54   2HG2  THR  10          1HG2      THR  10   4.561  21.290 -20.939
   55   3HG2  THR  10          3HG2      THR  10   3.171  20.299 -21.389
   56    MG   THR  10           QG2      THR  10   3.562  21.096 -20.891
   57    H    MET  11           H        MET  11   4.450  17.843 -18.186
   58    HA   MET  11           HA       MET  11   3.137  17.281 -15.700
   59   1HB   MET  11          2HB       MET  11   5.106  15.679 -17.284
   60   2HB   MET  11          1HB       MET  11   4.870  15.417 -15.565
   61   1HG   MET  11          2HG       MET  11   2.450  15.045 -16.019
   62   2HG   MET  11          1HG       MET  11   2.800  15.191 -17.736
   63   1HE   MET  11          1HE       MET  11   1.308  12.773 -16.292
   64   2HE   MET  11          3HE       MET  11   1.550  12.852 -18.037
   65   3HE   MET  11          2HE       MET  11   1.992  11.392 -17.149
   66    QB   MET  11           QB       MET  11   4.988  15.548 -16.425
   67    QG   MET  11           QG       MET  11   2.625  15.118 -16.877
   68    ME   MET  11           QE       MET  11   1.616  12.339 -17.159
   69    H    THR  12           H        THR  12   3.664  19.172 -14.870
   70    HA   THR  12           HA       THR  12   6.452  19.524 -14.078
   71    HB   THR  12           HB       THR  12   5.609  21.618 -13.304
   72    HG1  THR  12          1HG       THR  12   3.464  21.740 -15.101
   73   1HG2  THR  12          3HG2      THR  12   5.427  21.075 -16.268
   74   2HG2  THR  12          2HG2      THR  12   5.576  22.694 -15.585
   75   3HG2  THR  12          1HG2      THR  12   6.870  21.517 -15.357
   76    MG   THR  12           QG2      THR  12   5.958  21.762 -15.737
   77    H    GLY  13           H        GLY  13   3.223  19.964 -12.774
   78   1HA   GLY  13          1HA       GLY  13   3.638  18.152 -10.605
   79   2HA   GLY  13          2HA       GLY  13   2.277  19.255 -10.809
   80    QA   GLY  13           QA       GLY  13   2.957  18.703 -10.707
   81    H    SER  14           H        SER  14   4.930  18.560  -9.000
   82    HA   SER  14           HA       SER  14   5.886  21.108  -8.403
   83   1HB   SER  14          2HB       SER  14   3.636  21.446  -7.432
   84   2HB   SER  14          1HB       SER  14   3.833  20.006  -6.442
   85    HG   SER  14           HG       SER  14   5.029  21.060  -5.104
   86    QB   SER  14           QB       SER  14   3.734  20.726  -6.937
   87    H    ASP  15           H        ASP  15   5.260  18.836  -5.737
   88    HA   ASP  15           HA       ASP  15   7.901  17.909  -5.856
   89   1HB   ASP  15          2HB       ASP  15   7.717  18.314  -3.369
   90   2HB   ASP  15          1HB       ASP  15   8.231  19.682  -4.344
   91    QB   ASP  15           QB       ASP  15   7.974  18.998  -3.857
   92    H    LEU  16           H        LEU  16   6.396  16.281  -6.692
   93    HA   LEU  16           HA       LEU  16   5.416  14.681  -4.495
   94   1HB   LEU  16          2HB       LEU  16   4.562  14.651  -7.355
   95   2HB   LEU  16          1HB       LEU  16   3.902  13.647  -6.071
   96    HG   LEU  16           HG       LEU  16   2.282  15.146  -6.477
   97   1HD1  LEU  16          2HD1      LEU  16   3.800  16.442  -4.279
   98   2HD1  LEU  16          1HD1      LEU  16   2.104  16.755  -4.670
   99   3HD1  LEU  16          3HD1      LEU  16   2.611  15.149  -4.153
  100   1HD2  LEU  16          1HD2      LEU  16   4.330  17.284  -6.879
  101   2HD2  LEU  16          3HD2      LEU  16   3.315  16.458  -8.069
  102   3HD2  LEU  16          2HD2      LEU  16   2.573  17.550  -6.892
  103    MD1  LEU  16           QD1      LEU  16   2.839  16.115  -4.367
  104    MD2  LEU  16           QD2      LEU  16   3.406  17.098  -7.280
  105    QB   LEU  16           QB       LEU  16   4.232  14.149  -6.713
  106    QD   LEU  16           QQD      LEU  16   3.122  16.606  -5.824
  107    H    VAL  17           H        VAL  17   5.527  12.535  -4.820
  108    HA   VAL  17           HA       VAL  17   7.640  11.665  -6.342
  109    HB   VAL  17           HB       VAL  17   7.746  11.925  -3.354
  110   1HG1  VAL  17          2HG1      VAL  17   9.028   9.912  -5.001
  111   2HG1  VAL  17          1HG1      VAL  17   9.673  10.350  -3.366
  112   3HG1  VAL  17          3HG1      VAL  17   8.008   9.706  -3.533
  113   1HG2  VAL  17          2HG2      VAL  17   8.990  13.554  -4.781
  114   2HG2  VAL  17          1HG2      VAL  17  10.037  12.629  -3.692
  115   3HG2  VAL  17          3HG2      VAL  17   9.950  12.208  -5.394
  116    MG1  VAL  17           QG1      VAL  17   8.903   9.989  -3.967
  117    MG2  VAL  17           QG2      VAL  17   9.659  12.797  -4.622
  118    QG   VAL  17           QQG      VAL  17   9.281  11.393  -4.295
  119    H    SER  18           H        SER  18   7.499   9.322  -6.307
  120    HA   SER  18           HA       SER  18   5.249   8.125  -4.882
  121   1HB   SER  18          2HB       SER  18   6.063   7.573  -7.734
  122   2HB   SER  18          1HB       SER  18   5.084   6.455  -6.786
  123    HG   SER  18           HG       SER  18   3.872   8.542  -6.392
  124    QB   SER  18           QB       SER  18   5.573   7.014  -7.260
  125    H    CYS  19           H        CYS  19   6.203   6.989  -3.368
  126    HA   CYS  19           HA       CYS  19   8.483   5.358  -4.042
  127   1HB   CYS  19          2HB       CYS  19   6.862   5.591  -1.485
  128   2HB   CYS  19          1HB       CYS  19   8.338   4.646  -1.664
  129    HG   CYS  19           HG       CYS  19  10.066   6.630  -1.395
  130    QB   CYS  19           QB       CYS  19   7.600   5.118  -1.574
  131    H    CYS  20           H        CYS  20   8.113   3.511  -5.033
  132    HA   CYS  20           HA       CYS  20   5.393   2.451  -5.015
  133   1HB   CYS  20          2HB       CYS  20   6.408   3.272  -7.178
  134   2HB   CYS  20          1HB       CYS  20   7.669   2.068  -6.981
  135    HG   CYS  20           HG       CYS  20   4.768   1.794  -8.390
  136    QB   CYS  20           QB       CYS  20   7.039   2.670  -7.080
  137    H    TYR  21           H        TYR  21   5.303   0.242  -4.180
  138    HA   TYR  21           HA       TYR  21   7.902  -0.951  -3.796
  139   1HB   TYR  21          2HB       TYR  21   7.777  -1.163  -1.487
  140   2HB   TYR  21          1HB       TYR  21   7.378   0.498  -1.869
  141    HD1  TYR  21          1HD       TYR  21   5.758  -2.731  -0.829
  142    HD2  TYR  21          2HD       TYR  21   5.728   1.526  -0.865
  143    HE1  TYR  21          1HE       TYR  21   3.948  -2.717   0.826
  144    HE2  TYR  21          2HE       TYR  21   3.961   1.509   0.774
  145    HH   TYR  21           HH       TYR  21   2.167  -0.049   1.569
  146    QB   TYR  21           QB       TYR  21   7.578  -0.333  -1.678
  147    QD   TYR  21           QD       TYR  21   5.743  -0.603  -0.847
  148    QE   TYR  21           QE       TYR  21   3.954  -0.604   0.800
  149    QR   TYR  21           QR       TYR  21   4.849  -0.603  -0.023
  150    H    ARG  22           H        ARG  22   7.701  -3.121  -3.010
  151    HA   ARG  22           HA       ARG  22   5.011  -4.213  -3.325
  152   1HB   ARG  22          2HB       ARG  22   5.571  -5.891  -4.807
  153   2HB   ARG  22          1HB       ARG  22   6.816  -4.723  -5.218
  154   1HG   ARG  22          2HG       ARG  22   7.288  -6.933  -3.260
  155   2HG   ARG  22          1HG       ARG  22   7.551  -7.124  -4.989
  156   1HD   ARG  22          2HD       ARG  22   9.248  -5.426  -4.958
  157   2HD   ARG  22          1HD       ARG  22   8.868  -5.022  -3.283
  158    HE   ARG  22           HE       ARG  22   9.934  -6.956  -2.566
  159   1HH1  ARG  22          1HH1      ARG  22   9.945  -6.846  -6.102
  160   2HH1  ARG  22          2HH1      ARG  22  11.103  -8.082  -6.253
  161   1HH2  ARG  22          1HH2      ARG  22  11.494  -8.534  -2.750
  162   2HH2  ARG  22          2HH2      ARG  22  12.038  -9.103  -4.273
  163    QB   ARG  22           QB       ARG  22   6.194  -5.307  -5.012
  164    QG   ARG  22           QG       ARG  22   7.419  -7.029  -4.125
  165    QD   ARG  22           QD       ARG  22   9.058  -5.224  -4.121
  166    QH1  ARG  22           QH1      ARG  22  10.524  -7.464  -6.178
  167    QH2  ARG  22           QH2      ARG  22  11.766  -8.819  -3.512
  168    H    SER  23           H        SER  23   4.714  -6.189  -2.187
  169    HA   SER  23           HA       SER  23   6.756  -6.749  -0.292
  170   1HB   SER  23          2HB       SER  23   3.932  -6.117   0.579
  171   2HB   SER  23          1HB       SER  23   5.198  -6.728   1.638
  172    HG   SER  23           HG       SER  23   5.962  -4.585   0.194
  173    QB   SER  23           QB       SER  23   4.565  -6.423   1.109
  174    H    LEU  24           H        LEU  24   6.033  -8.783   0.949
  175    HA   LEU  24           HA       LEU  24   4.399 -10.421  -0.877
  176   1HB   LEU  24          2HB       LEU  24   6.759 -11.209   0.810
  177   2HB   LEU  24          1HB       LEU  24   5.647 -12.406   0.190
  178    HG   LEU  24           HG       LEU  24   7.599 -12.366  -1.197
  179   1HD1  LEU  24          1HD1      LEU  24   5.526 -12.776  -2.340
  180   2HD1  LEU  24          3HD1      LEU  24   5.330 -11.052  -2.659
  181   3HD1  LEU  24          2HD1      LEU  24   6.667 -11.936  -3.387
  182   1HD2  LEU  24          1HD2      LEU  24   8.421 -10.110  -0.728
  183   2HD2  LEU  24          3HD2      LEU  24   8.320 -10.402  -2.467
  184   3HD2  LEU  24          2HD2      LEU  24   7.086  -9.434  -1.666
  185    MD1  LEU  24           QD1      LEU  24   5.841 -11.921  -2.795
  186    MD2  LEU  24           QD2      LEU  24   7.942  -9.982  -1.620
  187    QB   LEU  24           QB       LEU  24   6.203 -11.808   0.500
  188    QD   LEU  24           QQD      LEU  24   6.892 -10.952  -2.208
  189    H    ALA  25           H        ALA  25   3.195  -8.903   1.025
  190    HA   ALA  25           HA       ALA  25   2.132  -8.883   3.178
  191   1HB   ALA  25          3HB       ALA  25   0.530  -8.979   1.342
  192   2HB   ALA  25          2HB       ALA  25   0.488 -10.743   1.467
  193   3HB   ALA  25          1HB       ALA  25  -0.087  -9.732   2.805
  194    MB   ALA  25           QB       ALA  25   0.310  -9.818   1.871
  195    H    ALA  26           H        ALA  26   2.651  -9.661   5.165
  196    HA   ALA  26           HA       ALA  26   4.009 -11.971   5.353
  197   1HB   ALA  26          2HB       ALA  26   4.303 -10.061   6.687
  198   2HB   ALA  26          1HB       ALA  26   2.686 -10.243   7.383
  199   3HB   ALA  26          3HB       ALA  26   3.927 -11.463   7.710
  200    MB   ALA  26           QB       ALA  26   3.639 -10.589   7.260
  201    HA   PRO  27           HA       PRO  27   0.681 -14.964   5.540
  202   1HB   PRO  27          2HB       PRO  27   2.191 -16.976   6.552
  203   2HB   PRO  27          1HB       PRO  27   2.306 -16.436   4.864
  204   1HG   PRO  27          2HG       PRO  27   3.858 -15.330   7.194
  205   2HG   PRO  27          1HG       PRO  27   4.584 -16.196   5.773
  206   1HD   PRO  27          2HD       PRO  27   4.560 -13.684   5.877
  207   2HD   PRO  27          1HD       PRO  27   3.782 -14.376   4.425
  208    QB   PRO  27           QB       PRO  27   2.248 -16.706   5.708
  209    QG   PRO  27           QG       PRO  27   4.221 -15.763   6.484
  210    QD   PRO  27           QD       PRO  27   4.171 -14.030   5.151
  211    H    ASP  28           H        ASP  28   2.096 -13.523   8.054
  212    HA   ASP  28           HA       ASP  28   0.747 -15.181  10.081
  213   1HB   ASP  28          2HB       ASP  28   2.195 -14.225  11.796
  214   2HB   ASP  28          1HB       ASP  28   3.176 -14.838  10.480
  215    QB   ASP  28           QB       ASP  28   2.686 -14.531  11.138
  216    H    LEU  29           H        LEU  29  -0.186 -13.074   8.258
  217    HA   LEU  29           HA       LEU  29  -0.908 -10.840   9.776
  218   1HB   LEU  29          2HB       LEU  29  -1.254 -11.721   7.054
  219   2HB   LEU  29          1HB       LEU  29  -2.520 -10.661   7.658
  220    HG   LEU  29           HG       LEU  29   0.415 -10.049   7.774
  221   1HD1  LEU  29          2HD1      LEU  29  -1.747  -9.150   5.868
  222   2HD1  LEU  29          1HD1      LEU  29  -0.123  -8.437   5.987
  223   3HD1  LEU  29          3HD1      LEU  29  -0.296 -10.112   5.482
  224   1HD2  LEU  29          1HD2      LEU  29  -2.093  -8.516   8.416
  225   2HD2  LEU  29          3HD2      LEU  29  -0.778  -8.911   9.523
  226   3HD2  LEU  29          2HD2      LEU  29  -0.535  -7.758   8.221
  227    MD1  LEU  29           QD1      LEU  29  -0.722  -9.233   5.779
  228    MD2  LEU  29           QD2      LEU  29  -1.135  -8.395   8.720
  229    QB   LEU  29           QB       LEU  29  -1.887 -11.191   7.356
  230    QD   LEU  29           QQD      LEU  29  -0.929  -8.814   7.249
  231    H    THR  30           H        THR  30  -2.824  -9.996  10.200
  232    HA   THR  30           HA       THR  30  -5.128 -11.736  10.585
  233    HB   THR  30           HB       THR  30  -5.463  -9.671  12.075
  234    HG1  THR  30          1HG       THR  30  -3.452  -9.235  13.206
  235   1HG2  THR  30          1HG2      THR  30  -4.201 -12.284  12.729
  236   2HG2  THR  30          3HG2      THR  30  -4.848 -11.180  13.969
  237   3HG2  THR  30          2HG2      THR  30  -5.921 -11.800  12.697
  238    MG   THR  30           QG2      THR  30  -4.990 -11.755  13.132
  239    H    LEU  31           H        LEU  31  -6.690 -11.256   9.333
  240    HA   LEU  31           HA       LEU  31  -7.115  -9.226   7.480
  241   1HB   LEU  31          2HB       LEU  31  -8.475 -11.282   7.880
  242   2HB   LEU  31          1HB       LEU  31  -9.004 -10.403   9.325
  243    HG   LEU  31           HG       LEU  31 -10.069  -8.706   7.945
  244   1HD1  LEU  31          2HD1      LEU  31  -8.695  -8.889   5.963
  245   2HD1  LEU  31          1HD1      LEU  31  -9.409 -10.463   5.584
  246   3HD1  LEU  31          3HD1      LEU  31 -10.413  -9.003   5.602
  247   1HD2  LEU  31          1HD2      LEU  31 -11.373 -10.565   8.779
  248   2HD2  LEU  31          3HD2      LEU  31 -11.949 -10.041   7.201
  249   3HD2  LEU  31          2HD2      LEU  31 -10.976 -11.505   7.340
  250    MD1  LEU  31           QD1      LEU  31  -9.505  -9.451   5.716
  251    MD2  LEU  31           QD2      LEU  31 -11.433 -10.704   7.774
  252    QB   LEU  31           QB       LEU  31  -8.740 -10.843   8.603
  253    QD   LEU  31           QQD      LEU  31 -10.469 -10.078   6.745
  254    H    ARG  32           H        ARG  32  -7.902  -9.141  10.935
  255    HA   ARG  32           HA       ARG  32  -9.409  -6.775  10.562
  256   1HB   ARG  32          2HB       ARG  32  -9.635  -8.268  12.563
  257   2HB   ARG  32          1HB       ARG  32  -8.126  -7.583  13.165
  258   1HG   ARG  32          2HG       ARG  32 -10.004  -6.424  14.205
  259   2HG   ARG  32          1HG       ARG  32  -9.117  -5.368  13.072
  260   1HD   ARG  32          2HD       ARG  32 -11.614  -5.191  12.929
  261   2HD   ARG  32          1HD       ARG  32 -10.782  -5.538  11.419
  262    HE   ARG  32           HE       ARG  32 -11.794  -7.821  12.886
  263   1HH1  ARG  32          1HH1      ARG  32 -12.436  -5.460  10.298
  264   2HH1  ARG  32          2HH1      ARG  32 -13.517  -6.477   9.460
  265   1HH2  ARG  32          1HH2      ARG  32 -13.342  -9.205  11.705
  266   2HH2  ARG  32          2HH2      ARG  32 -14.029  -8.604  10.277
  267    QB   ARG  32           QB       ARG  32  -8.881  -7.925  12.864
  268    QG   ARG  32           QG       ARG  32  -9.560  -5.896  13.638
  269    QD   ARG  32           QD       ARG  32 -11.198  -5.365  12.174
  270    QH1  ARG  32           QH1      ARG  32 -12.977  -5.969   9.879
  271    QH2  ARG  32           QH2      ARG  32 -13.685  -8.904  10.991
  272    H    ASP  33           H        ASP  33  -6.043  -7.339  10.975
  273    HA   ASP  33           HA       ASP  33  -5.504  -4.567  11.568
  274   1HB   ASP  33          2HB       ASP  33  -4.141  -6.448  12.562
  275   2HB   ASP  33          1HB       ASP  33  -3.544  -6.792  10.943
  276    QB   ASP  33           QB       ASP  33  -3.842  -6.620  11.752
  277    H    LEU  34           H        LEU  34  -5.865  -6.596   8.736
  278    HA   LEU  34           HA       LEU  34  -4.497  -4.777   6.953
  279   1HB   LEU  34          2HB       LEU  34  -6.691  -6.785   6.366
  280   2HB   LEU  34          1HB       LEU  34  -6.095  -5.706   5.141
  281    HG   LEU  34           HG       LEU  34  -5.211  -7.956   4.895
  282   1HD1  LEU  34          3HD1      LEU  34  -3.817  -6.068   4.178
  283   2HD1  LEU  34          2HD1      LEU  34  -3.052  -6.052   5.766
  284   3HD1  LEU  34          1HD1      LEU  34  -2.860  -7.449   4.715
  285   1HD2  LEU  34          1HD2      LEU  34  -5.370  -8.412   7.247
  286   2HD2  LEU  34          3HD2      LEU  34  -3.845  -8.977   6.527
  287   3HD2  LEU  34          2HD2      LEU  34  -3.881  -7.467   7.491
  288    MD1  LEU  34           QD1      LEU  34  -3.243  -6.523   4.886
  289    MD2  LEU  34           QD2      LEU  34  -4.365  -8.285   7.088
  290    QB   LEU  34           QB       LEU  34  -6.393  -6.246   5.754
  291    QD   LEU  34           QQD      LEU  34  -3.804  -7.404   5.987
  292    H    LEU  35           H        LEU  35  -7.641  -5.267   8.084
  293    HA   LEU  35           HA       LEU  35  -8.852  -3.165   6.608
  294   1HB   LEU  35          2HB       LEU  35  -9.775  -4.846   8.933
  295   2HB   LEU  35          1HB       LEU  35 -10.756  -3.532   8.316
  296    HG   LEU  35           HG       LEU  35 -11.356  -5.880   7.461
  297   1HD1  LEU  35          2HD1      LEU  35 -10.632  -3.767   5.429
  298   2HD1  LEU  35          1HD1      LEU  35 -11.755  -5.104   5.176
  299   3HD1  LEU  35          3HD1      LEU  35 -12.134  -3.846   6.349
  300   1HD2  LEU  35          2HD2      LEU  35  -8.949  -6.559   7.089
  301   2HD2  LEU  35          1HD2      LEU  35 -10.001  -6.830   5.666
  302   3HD2  LEU  35          3HD2      LEU  35  -8.904  -5.452   5.774
  303    MD1  LEU  35           QD1      LEU  35 -11.507  -4.239   5.651
  304    MD2  LEU  35           QD2      LEU  35  -9.284  -6.280   6.176
  305    QB   LEU  35           QB       LEU  35 -10.266  -4.189   8.624
  306    QD   LEU  35           QQD      LEU  35 -10.396  -5.260   5.914
  307    H    ASP  36           H        ASP  36  -7.474  -3.396   9.766
  308    HA   ASP  36           HA       ASP  36  -7.956  -0.690  10.471
  309   1HB   ASP  36          2HB       ASP  36  -5.824  -2.573  11.347
  310   2HB   ASP  36          1HB       ASP  36  -5.622  -0.863  11.686
  311    QB   ASP  36           QB       ASP  36  -5.723  -1.718  11.516
  312    H    ILE  37           H        ILE  37  -5.409  -2.077   8.517
  313    HA   ILE  37           HA       ILE  37  -3.743   0.072   8.102
  314    HB   ILE  37           HB       ILE  37  -4.642  -2.029   6.118
  315   1HG1  ILE  37          2HG1      ILE  37  -1.963  -1.770   7.405
  316   2HG1  ILE  37          1HG1      ILE  37  -3.227  -2.712   8.159
  317   1HG2  ILE  37          1HG2      ILE  37  -3.906  -0.157   4.795
  318   2HG2  ILE  37          3HG2      ILE  37  -2.397  -0.066   5.709
  319   3HG2  ILE  37          2HG2      ILE  37  -2.730  -1.472   4.699
  320   1HD1  ILE  37          1HD1      ILE  37  -3.305  -3.959   5.867
  321   2HD1  ILE  37          3HD1      ILE  37  -1.755  -3.182   5.595
  322   3HD1  ILE  37          2HD1      ILE  37  -1.981  -4.286   6.955
  323    MG   ILE  37           QG2      ILE  37  -3.011  -0.565   5.068
  324    MD   ILE  37           QD1      ILE  37  -2.347  -3.809   6.139
  325    QG   ILE  37           QG1      ILE  37  -2.595  -2.241   7.782
  326    H    VAL  38           H        VAL  38  -6.572  -0.839   6.178
  327    HA   VAL  38           HA       VAL  38  -6.397   1.338   4.447
  328    HB   VAL  38           HB       VAL  38  -7.649  -0.659   3.795
  329   1HG1  VAL  38          2HG1      VAL  38  -8.588  -1.264   5.886
  330   2HG1  VAL  38          1HG1      VAL  38  -9.706   0.094   5.810
  331   3HG1  VAL  38          3HG1      VAL  38  -9.818  -1.213   4.621
  332   1HG2  VAL  38          3HG2      VAL  38  -8.209   1.443   2.666
  333   2HG2  VAL  38          2HG2      VAL  38  -9.591   0.365   2.765
  334   3HG2  VAL  38          1HG2      VAL  38  -9.461   1.742   3.865
  335    MG1  VAL  38           QG1      VAL  38  -9.370  -0.794   5.439
  336    MG2  VAL  38           QG2      VAL  38  -9.087   1.183   3.099
  337    QG   VAL  38           QQG      VAL  38  -9.229   0.194   4.269
  338    H    GLU  39           H        GLU  39  -8.264   0.991   7.408
  339    HA   GLU  39           HA       GLU  39  -9.645   3.418   7.145
  340   1HB   GLU  39          2HB       GLU  39  -9.050   1.766   9.598
  341   2HB   GLU  39          1HB       GLU  39 -10.139   3.147   9.583
  342   1HG   GLU  39          2HG       GLU  39 -11.514   2.002   7.891
  343   2HG   GLU  39          1HG       GLU  39 -10.452   0.605   8.006
  344    QB   GLU  39           QB       GLU  39  -9.595   2.457   9.591
  345    QG   GLU  39           QG       GLU  39 -10.983   1.303   7.949
  346    H    THR  40           H        THR  40  -6.478   2.721   8.551
  347    HA   THR  40           HA       THR  40  -6.305   5.436   9.538
  348    HB   THR  40           HB       THR  40  -5.210   3.558  10.812
  349    HG1  THR  40          1HG       THR  40  -3.925   5.910  10.046
  350   1HG2  THR  40          3HG2      THR  40  -3.247   3.550   8.517
  351   2HG2  THR  40          2HG2      THR  40  -3.032   2.680  10.035
  352   3HG2  THR  40          1HG2      THR  40  -4.343   2.238   8.941
  353    MG   THR  40           QG2      THR  40  -3.541   2.823   9.164
  354    H    SER  41           H        SER  41  -5.348   3.683   6.705
  355    HA   SER  41           HA       SER  41  -3.262   5.342   5.856
  356   1HB   SER  41          2HB       SER  41  -3.718   3.019   5.058
  357   2HB   SER  41          1HB       SER  41  -5.079   3.646   4.141
  358    HG   SER  41           HG       SER  41  -3.431   5.080   3.112
  359    QB   SER  41           QB       SER  41  -4.399   3.333   4.600
  360    H    GLN  42           H        GLN  42  -6.630   5.219   4.639
  361    HA   GLN  42           HA       GLN  42  -6.538   7.281   2.768
  362   1HB   GLN  42          2HB       GLN  42  -8.804   6.552   4.585
  363   2HB   GLN  42          1HB       GLN  42  -8.950   7.530   3.135
  364   1HG   GLN  42          2HG       GLN  42  -8.653   5.791   1.731
  365   2HG   GLN  42          1HG       GLN  42  -7.617   4.956   2.896
  366   1HE2  GLN  42          1HE2      GLN  42  -9.524   5.168   5.101
  367   2HE2  GLN  42          2HE2      GLN  42 -10.719   4.010   4.663
  368    QB   GLN  42           QB       GLN  42  -8.877   7.041   3.860
  369    QG   GLN  42           QG       GLN  42  -8.135   5.374   2.313
  370    QE   GLN  42           QE2      GLN  42 -10.122   4.589   4.882
  371    H    ALA  43           H        ALA  43  -7.099   7.456   6.176
  372    HA   ALA  43           HA       ALA  43  -7.926  10.106   6.345
  373   1HB   ALA  43          3HB       ALA  43  -7.693   9.783   8.701
  374   2HB   ALA  43          1HB       ALA  43  -6.545   8.442   8.435
  375   3HB   ALA  43          2HB       ALA  43  -8.211   8.257   7.939
  376    MB   ALA  43           QB       ALA  43  -7.483   8.827   8.358
  377    H    HIS  44           H        HIS  44  -4.708   8.633   6.670
  378    HA   HIS  44           HA       HIS  44  -3.416  11.185   7.081
  379   1HB   HIS  44          2HB       HIS  44  -2.552   8.977   8.000
  380   2HB   HIS  44          1HB       HIS  44  -2.231   8.588   6.308
  381    HD1  HIS  44          1HD       HIS  44   0.233   8.423   6.325
  382    HD2  HIS  44          2HD       HIS  44  -1.039  11.957   8.071
  383    HE1  HIS  44          1HE       HIS  44   2.303   9.784   6.670
  384    HE2  HIS  44          2HE       HIS  44   1.558  11.657   8.075
  385    QB   HIS  44           QB       HIS  44  -2.392   8.782   7.154
  386    H    ASN  45           H        ASN  45  -3.982   8.972   4.420
  387    HA   ASN  45           HA       ASN  45  -2.319  10.201   2.533
  388   1HB   ASN  45          2HB       ASN  45  -4.858   8.614   2.174
  389   2HB   ASN  45          1HB       ASN  45  -4.054   9.348   0.799
  390   1HD2  ASN  45          1HD2      ASN  45  -2.076   8.523   0.131
  391   2HD2  ASN  45          2HD2      ASN  45  -1.526   6.956   0.631
  392    QB   ASN  45           QB       ASN  45  -4.456   8.981   1.486
  393    QD   ASN  45           QD2      ASN  45  -1.801   7.740   0.381
  394    H    ALA  46           H        ALA  46  -5.731  10.783   3.220
  395    HA   ALA  46           HA       ALA  46  -6.107  12.862   1.371
  396   1HB   ALA  46          3HB       ALA  46  -8.049  13.453   2.711
  397   2HB   ALA  46          1HB       ALA  46  -7.417  12.482   4.039
  398   3HB   ALA  46          2HB       ALA  46  -7.931  11.694   2.541
  399    MB   ALA  46           QB       ALA  46  -7.799  12.543   3.097
  400    H    ARG  47           H        ARG  47  -5.174  12.873   4.754
  401    HA   ARG  47           HA       ARG  47  -5.045  15.624   5.171
  402   1HB   ARG  47          2HB       ARG  47  -4.899  13.799   6.917
  403   2HB   ARG  47          1HB       ARG  47  -3.238  13.584   6.331
  404   1HG   ARG  47          2HG       ARG  47  -3.181  14.903   8.356
  405   2HG   ARG  47          1HG       ARG  47  -2.674  15.864   6.968
  406   1HD   ARG  47          2HD       ARG  47  -4.115  17.199   8.340
  407   2HD   ARG  47          1HD       ARG  47  -4.970  16.813   6.855
  408    HE   ARG  47           HE       ARG  47  -5.518  14.907   8.882
  409   1HH1  ARG  47          1HH1      ARG  47  -6.382  18.162   7.811
  410   2HH1  ARG  47          2HH1      ARG  47  -7.885  18.184   8.609
  411   1HH2  ARG  47          1HH2      ARG  47  -7.582  14.931   9.984
  412   2HH2  ARG  47          2HH2      ARG  47  -8.578  16.296   9.883
  413    QB   ARG  47           QB       ARG  47  -4.069  13.691   6.624
  414    QG   ARG  47           QG       ARG  47  -2.928  15.384   7.662
  415    QD   ARG  47           QD       ARG  47  -4.542  17.006   7.598
  416    QH1  ARG  47           QH1      ARG  47  -7.134  18.173   8.210
  417    QH2  ARG  47           QH2      ARG  47  -8.080  15.613   9.933
  418    H    ALA  48           H        ALA  48  -2.451  13.354   4.289
  419    HA   ALA  48           HA       ALA  48  -0.735  15.564   4.101
  420   1HB   ALA  48          2HB       ALA  48   0.107  13.481   4.956
  421   2HB   ALA  48          3HB       ALA  48   1.018  14.012   3.536
  422   3HB   ALA  48          1HB       ALA  48  -0.163  12.705   3.388
  423    MB   ALA  48           QB       ALA  48   0.320  13.399   3.960
  424    H    GLN  49           H        GLN  49  -3.019  14.451   2.016
  425    HA   GLN  49           HA       GLN  49  -3.641  15.015  -0.076
  426   1HB   GLN  49          2HB       GLN  49  -1.086  16.594  -0.029
  427   2HB   GLN  49          1HB       GLN  49  -2.278  16.733  -1.345
  428   1HG   GLN  49          2HG       GLN  49  -3.538  18.058  -0.044
  429   2HG   GLN  49          1HG       GLN  49  -3.261  16.892   1.286
  430   1HE2  GLN  49          1HE2      GLN  49  -1.897  17.349   2.859
  431   2HE2  GLN  49          2HE2      GLN  49  -0.844  18.701   2.930
  432    QB   GLN  49           QB       GLN  49  -1.682  16.664  -0.687
  433    QG   GLN  49           QG       GLN  49  -3.400  17.475   0.621
  434    QE   GLN  49           QE2      GLN  49  -1.370  18.025   2.895
  435    H    LEU  50           H        LEU  50  -1.994  12.875   0.677
  436    HA   LEU  50           HA       LEU  50  -0.434  11.987  -1.577
  437   1HB   LEU  50          2HB       LEU  50  -1.080  11.049   1.143
  438   2HB   LEU  50          1HB       LEU  50  -0.610   9.840  -0.031
  439    HG   LEU  50           HG       LEU  50   1.489  10.808  -0.326
  440   1HD1  LEU  50          2HD1      LEU  50   0.630  13.059   1.465
  441   2HD1  LEU  50          1HD1      LEU  50   2.270  12.803   0.868
  442   3HD1  LEU  50          3HD1      LEU  50   0.965  13.165  -0.260
  443   1HD2  LEU  50          2HD2      LEU  50   1.208   9.395   1.657
  444   2HD2  LEU  50          1HD2      LEU  50   2.473  10.619   1.863
  445   3HD2  LEU  50          3HD2      LEU  50   0.899  10.841   2.611
  446    MD1  LEU  50           QD1      LEU  50   1.288  13.009   0.691
  447    MD2  LEU  50           QD2      LEU  50   1.527  10.285   2.044
  448    QB   LEU  50           QB       LEU  50  -0.845  10.444   0.556
  449    QD   LEU  50           QQD      LEU  50   1.407  11.647   1.367
  450    H    THR  51           H        THR  51  -1.163  10.824  -3.225
  451    HA   THR  51           HA       THR  51  -3.808   9.599  -3.092
  452    HB   THR  51           HB       THR  51  -3.825  10.040  -5.556
  453    HG1  THR  51          1HG       THR  51  -1.855  10.447  -6.336
  454   1HG2  THR  51          1HG2      THR  51  -4.693  11.497  -3.815
  455   2HG2  THR  51          3HG2      THR  51  -3.145  12.365  -3.817
  456   3HG2  THR  51          2HG2      THR  51  -4.173  12.404  -5.273
  457    MG   THR  51           QG2      THR  51  -4.004  12.089  -4.302
  458    H    GLY  52           H        GLY  52  -3.998   7.484  -4.257
  459   1HA   GLY  52          1HA       GLY  52  -2.196   5.830  -2.992
  460   2HA   GLY  52          2HA       GLY  52  -1.591   6.025  -4.628
  461    QA   GLY  52           QA       GLY  52  -1.894   5.928  -3.810
  462    H    ALA  53           H        ALA  53  -1.905   3.690  -4.231
  463    HA   ALA  53           HA       ALA  53  -4.457   2.549  -4.132
  464   1HB   ALA  53          2HB       ALA  53  -4.673   3.321  -6.471
  465   2HB   ALA  53          3HB       ALA  53  -4.607   1.557  -6.384
  466   3HB   ALA  53          1HB       ALA  53  -3.186   2.475  -6.885
  467    MB   ALA  53           QB       ALA  53  -4.155   2.451  -6.580
  468    H    LEU  54           H        LEU  54  -4.310   0.144  -4.318
  469    HA   LEU  54           HA       LEU  54  -1.647  -0.867  -4.498
  470   1HB   LEU  54          2HB       LEU  54  -1.432  -1.804  -2.346
  471   2HB   LEU  54          1HB       LEU  54  -1.886  -0.128  -2.140
  472    HG   LEU  54           HG       LEU  54  -4.280  -1.098  -1.724
  473   1HD1  LEU  54          2HD1      LEU  54  -2.611  -3.545  -1.174
  474   2HD1  LEU  54          1HD1      LEU  54  -4.298  -3.323  -0.707
  475   3HD1  LEU  54          3HD1      LEU  54  -3.849  -3.373  -2.413
  476   1HD2  LEU  54          3HD2      LEU  54  -2.889   0.023  -0.053
  477   2HD2  LEU  54          2HD2      LEU  54  -3.790  -1.321   0.647
  478   3HD2  LEU  54          1HD2      LEU  54  -2.073  -1.500   0.285
  479    MD1  LEU  54           QD1      LEU  54  -3.586  -3.414  -1.431
  480    MD2  LEU  54           QD2      LEU  54  -2.917  -0.933   0.293
  481    QB   LEU  54           QB       LEU  54  -1.659  -0.966  -2.243
  482    QD   LEU  54           QQD      LEU  54  -3.252  -2.173  -0.569
  483    H    PHE  55           H        PHE  55  -1.533  -3.033  -4.744
  484    HA   PHE  55           HA       PHE  55  -4.078  -4.358  -5.261
  485   1HB   PHE  55          2HB       PHE  55  -1.594  -4.447  -6.994
  486   2HB   PHE  55          1HB       PHE  55  -3.042  -5.417  -7.240
  487    HD1  PHE  55          1HD       PHE  55  -5.139  -4.349  -7.929
  488    HD2  PHE  55          2HD       PHE  55  -1.514  -2.147  -7.627
  489    HE1  PHE  55          1HE       PHE  55  -6.132  -2.538  -9.233
  490    HE2  PHE  55          2HE       PHE  55  -2.509  -0.320  -8.939
  491    HZ   PHE  55           HZ       PHE  55  -4.824  -0.511  -9.734
  492    QB   PHE  55           QB       PHE  55  -2.318  -4.932  -7.117
  493    QD   PHE  55           QD       PHE  55  -3.327  -3.248  -7.778
  494    QE   PHE  55           QE       PHE  55  -4.320  -1.429  -9.086
  495    QR   PHE  55           QR       PHE  55  -4.023  -1.973  -8.693
  496    H    TYR  56           H        TYR  56  -4.169  -5.778  -3.754
  497    HA   TYR  56           HA       TYR  56  -1.818  -7.329  -2.997
  498   1HB   TYR  56          2HB       TYR  56  -3.175  -6.348  -1.192
  499   2HB   TYR  56          1HB       TYR  56  -4.637  -7.089  -1.748
  500    HD1  TYR  56          1HD       TYR  56  -3.635  -9.965  -2.098
  501    HD2  TYR  56          2HD       TYR  56  -2.894  -7.087   0.944
  502    HE1  TYR  56          1HE       TYR  56  -3.240 -11.783  -0.490
  503    HE2  TYR  56          2HE       TYR  56  -2.491  -8.902   2.562
  504    HH   TYR  56           HH       TYR  56  -3.141 -11.346   2.831
  505    QB   TYR  56           QB       TYR  56  -3.906  -6.719  -1.470
  506    QD   TYR  56           QD       TYR  56  -3.265  -8.526  -0.577
  507    QE   TYR  56           QE       TYR  56  -2.865 -10.342   1.036
  508    QR   TYR  56           QR       TYR  56  -3.065  -9.434   0.229
  509    H    SER  57           H        SER  57  -1.610  -9.232  -4.142
  510    HA   SER  57           HA       SER  57  -4.057 -10.573  -4.966
  511   1HB   SER  57          2HB       SER  57  -1.716 -10.003  -6.798
  512   2HB   SER  57          1HB       SER  57  -3.137 -10.971  -7.215
  513    HG   SER  57           HG       SER  57  -4.027  -8.773  -6.205
  514    QB   SER  57           QB       SER  57  -2.426 -10.487  -7.006
  515    H    GLN  58           H        GLN  58  -4.019 -12.454  -4.041
  516    HA   GLN  58           HA       GLN  58  -3.452 -14.517  -3.328
  517   1HB   GLN  58          2HB       GLN  58  -2.447 -14.819  -5.594
  518   2HB   GLN  58          1HB       GLN  58  -0.956 -14.129  -4.978
  519   1HG   GLN  58          2HG       GLN  58  -0.686 -16.037  -3.472
  520   2HG   GLN  58          1HG       GLN  58  -2.209 -16.712  -4.050
  521   1HE2  GLN  58          1HE2      GLN  58   0.210 -15.180  -6.142
  522   2HE2  GLN  58          2HE2      GLN  58   0.636 -16.623  -6.964
  523    QB   GLN  58           QB       GLN  58  -1.702 -14.474  -5.286
  524    QG   GLN  58           QG       GLN  58  -1.448 -16.374  -3.761
  525    QE   GLN  58           QE2      GLN  58   0.423 -15.901  -6.553
  526    H    GLY  59           H        GLY  59  -0.415 -12.803  -3.455
  527   1HA   GLY  59          1HA       GLY  59   1.018 -13.731  -1.395
  528   2HA   GLY  59          2HA       GLY  59  -0.190 -12.753  -0.563
  529    QA   GLY  59           QA       GLY  59   0.414 -13.242  -0.979
  530    H    VAL  60           H        VAL  60   1.229 -12.019  -3.743
  531    HA   VAL  60           HA       VAL  60   3.049 -10.206  -2.634
  532    HB   VAL  60           HB       VAL  60   3.552 -11.289  -4.758
  533   1HG1  VAL  60          3HG1      VAL  60   1.331 -11.415  -5.738
  534   2HG1  VAL  60          2HG1      VAL  60   1.305  -9.666  -5.933
  535   3HG1  VAL  60          1HG1      VAL  60   2.452 -10.634  -6.856
  536   1HG2  VAL  60          1HG2      VAL  60   3.320  -8.296  -5.026
  537   2HG2  VAL  60          3HG2      VAL  60   4.663  -9.184  -4.303
  538   3HG2  VAL  60          2HG2      VAL  60   4.331  -9.333  -6.032
  539    MG1  VAL  60           QG1      VAL  60   1.696 -10.572  -6.176
  540    MG2  VAL  60           QG2      VAL  60   4.105  -8.938  -5.121
  541    QG   VAL  60           QQG      VAL  60   2.900  -9.755  -5.648
  542    H    PHE  61           H        PHE  61   2.757  -8.416  -1.919
  543    HA   PHE  61           HA       PHE  61   0.381  -6.770  -2.262
  544   1HB   PHE  61          2HB       PHE  61   2.514  -7.169  -0.457
  545   2HB   PHE  61          1HB       PHE  61   2.574  -5.509  -0.999
  546    HD1  PHE  61          1HD       PHE  61   1.996  -7.026   1.679
  547    HD2  PHE  61          2HD       PHE  61  -0.394  -4.961  -1.169
  548    HE1  PHE  61          1HE       PHE  61   0.439  -6.443   3.442
  549    HE2  PHE  61          2HE       PHE  61  -1.975  -4.370   0.617
  550    HZ   PHE  61           HZ       PHE  61  -1.513  -5.099   2.933
  551    QB   PHE  61           QB       PHE  61   2.544  -6.339  -0.728
  552    QD   PHE  61           QD       PHE  61   0.801  -5.994   0.255
  553    QE   PHE  61           QE       PHE  61  -0.768  -5.407   2.029
  554    QR   PHE  61           QR       PHE  61  -0.289  -5.580   1.500
  555    H    PHE  62           H        PHE  62   0.428  -5.359  -4.106
  556    HA   PHE  62           HA       PHE  62   3.009  -4.053  -4.564
  557   1HB   PHE  62          2HB       PHE  62   2.186  -5.218  -6.566
  558   2HB   PHE  62          1HB       PHE  62   0.666  -4.316  -6.479
  559    HD1  PHE  62          1HD       PHE  62   0.492  -2.189  -7.464
  560    HD2  PHE  62          2HD       PHE  62   4.309  -4.017  -7.032
  561    HE1  PHE  62          1HE       PHE  62   1.473  -0.455  -8.892
  562    HE2  PHE  62          2HE       PHE  62   5.302  -2.278  -8.463
  563    HZ   PHE  62           HZ       PHE  62   3.881  -0.490  -9.391
  564    QB   PHE  62           QB       PHE  62   1.426  -4.767  -6.523
  565    QD   PHE  62           QD       PHE  62   2.400  -3.103  -7.248
  566    QE   PHE  62           QE       PHE  62   3.387  -1.367  -8.678
  567    QR   PHE  62           QR       PHE  62   3.091  -1.886  -8.248
  568    H    GLN  63           H        GLN  63   3.064  -2.003  -3.795
  569    HA   GLN  63           HA       GLN  63   0.495  -0.593  -3.400
  570   1HB   GLN  63          2HB       GLN  63   1.472  -2.065  -1.451
  571   2HB   GLN  63          1HB       GLN  63   2.568  -0.719  -1.263
  572   1HG   GLN  63          2HG       GLN  63  -0.432  -0.652  -0.996
  573   2HG   GLN  63          1HG       GLN  63   0.765  -0.691   0.266
  574   1HE2  GLN  63          1HE2      GLN  63   2.517   1.342  -0.923
  575   2HE2  GLN  63          2HE2      GLN  63   1.634   2.831  -0.789
  576    QB   GLN  63           QB       GLN  63   2.020  -1.392  -1.357
  577    QG   GLN  63           QG       GLN  63   0.166  -0.672  -0.365
  578    QE   GLN  63           QE2      GLN  63   2.075   2.086  -0.856
  579    H    TRP  64           H        TRP  64   0.822   1.552  -4.098
  580    HA   TRP  64           HA       TRP  64   3.371   2.627  -3.394
  581   1HB   TRP  64          2HB       TRP  64   3.957   3.507  -5.478
  582   2HB   TRP  64          1HB       TRP  64   3.480   1.826  -5.814
  583    HD1  TRP  64           HD       TRP  64   3.508   5.030  -7.211
  584    HE1  TRP  64          1HE       TRP  64   1.688   5.433  -8.878
  585    HE3  TRP  64          3HE       TRP  64   0.446   1.157  -5.946
  586    HZ2  TRP  64          2HZ       TRP  64  -0.819   4.259  -9.617
  587    HZ3  TRP  64          3HZ       TRP  64  -1.678   0.908  -7.154
  588    HH2  TRP  64           HH       TRP  64  -2.276   2.411  -8.970
  589    QB   TRP  64           QB       TRP  64   3.719   2.666  -5.646
  590    H    LEU  65           H        LEU  65   3.318   5.106  -3.668
  591    HA   LEU  65           HA       LEU  65   0.643   6.210  -3.722
  592   1HB   LEU  65          2HB       LEU  65   0.836   7.376  -1.628
  593   2HB   LEU  65          1HB       LEU  65   0.952   5.656  -1.357
  594    HG   LEU  65           HG       LEU  65   3.355   7.390  -1.544
  595   1HD1  LEU  65          1HD1      LEU  65   1.715   6.679   0.899
  596   2HD1  LEU  65          3HD1      LEU  65   3.293   7.469   0.943
  597   3HD1  LEU  65          2HD1      LEU  65   1.920   8.282   0.189
  598   1HD2  LEU  65          1HD2      LEU  65   2.874   4.715  -0.200
  599   2HD2  LEU  65          3HD2      LEU  65   3.784   4.991  -1.689
  600   3HD2  LEU  65          2HD2      LEU  65   4.390   5.614  -0.156
  601    MD1  LEU  65           QD1      LEU  65   2.309   7.477   0.677
  602    MD2  LEU  65           QD2      LEU  65   3.683   5.107  -0.682
  603    QB   LEU  65           QB       LEU  65   0.894   6.516  -1.492
  604    QD   LEU  65           QQD      LEU  65   2.996   6.292  -0.003
  605    H    GLU  66           H        GLU  66   0.543   8.367  -4.111
  606    HA   GLU  66           HA       GLU  66   2.979   9.621  -5.179
  607   1HB   GLU  66          2HB       GLU  66   0.093  10.435  -5.518
  608   2HB   GLU  66          1HB       GLU  66   1.476  10.966  -6.433
  609   1HG   GLU  66          2HG       GLU  66   1.610   8.852  -7.559
  610   2HG   GLU  66          1HG       GLU  66   0.282   8.219  -6.567
  611    QB   GLU  66           QB       GLU  66   0.784  10.700  -5.976
  612    QG   GLU  66           QG       GLU  66   0.946   8.536  -7.063
  613    H    GLY  67           H        GLY  67   3.723  11.249  -3.800
  614   1HA   GLY  67          1HA       GLY  67   2.564  12.025  -1.441
  615   2HA   GLY  67          2HA       GLY  67   1.866  13.050  -2.704
  616    QA   GLY  67           QA       GLY  67   2.215  12.537  -2.072
  617    H    HIS  68           H        HIS  68   3.172  14.627  -1.070
  618    HA   HIS  68           HA       HIS  68   5.596  15.435  -2.313
  619   1HB   HIS  68          2HB       HIS  68   4.371  17.131  -1.149
  620   2HB   HIS  68          1HB       HIS  68   4.313  16.235   0.335
  621    HD1  HIS  68          1HD       HIS  68   6.262  16.525   1.981
  622    HD2  HIS  68          2HD       HIS  68   6.587  18.320  -1.668
  623    HE1  HIS  68          1HE       HIS  68   8.347  17.841   2.185
  624    HE2  HIS  68          2HE       HIS  68   8.276  19.314   0.113
  625    QB   HIS  68           QB       HIS  68   4.342  16.683  -0.407
  626    HA   PRO  69           HA       PRO  69   8.525  12.331  -1.154
  627   1HB   PRO  69          2HB       PRO  69  10.480  14.201  -0.201
  628   2HB   PRO  69          1HB       PRO  69  10.447  13.335  -1.732
  629   1HG   PRO  69          2HG       PRO  69   9.479  16.074  -1.104
  630   2HG   PRO  69          1HG       PRO  69  10.071  15.420  -2.645
  631   1HD   PRO  69          2HD       PRO  69   7.517  15.941  -2.302
  632   2HD   PRO  69          1HD       PRO  69   8.001  14.453  -3.149
  633    QB   PRO  69           QB       PRO  69  10.463  13.768  -0.966
  634    QG   PRO  69           QG       PRO  69   9.775  15.747  -1.874
  635    QD   PRO  69           QD       PRO  69   7.759  15.197  -2.726
  636    H    ALA  70           H        ALA  70   8.653  14.886   1.348
  637    HA   ALA  70           HA       ALA  70   9.404  12.953   3.253
  638   1HB   ALA  70          3HB       ALA  70  10.055  15.263   3.566
  639   2HB   ALA  70          1HB       ALA  70   9.145  14.639   4.947
  640   3HB   ALA  70          2HB       ALA  70   8.342  15.692   3.759
  641    MB   ALA  70           QB       ALA  70   9.181  15.198   4.090
  642    H    ALA  71           H        ALA  71   6.344  13.990   2.313
  643    HA   ALA  71           HA       ALA  71   4.955  13.034   4.567
  644   1HB   ALA  71          1HB       ALA  71   4.193  13.188   1.730
  645   2HB   ALA  71          3HB       ALA  71   3.028  13.046   3.054
  646   3HB   ALA  71          2HB       ALA  71   4.031  14.534   2.878
  647    MB   ALA  71           QB       ALA  71   3.751  13.589   2.554
  648    H    VAL  72           H        VAL  72   5.999  11.827   1.517
  649    HA   VAL  72           HA       VAL  72   4.828   9.221   1.558
  650    HB   VAL  72           HB       VAL  72   7.446   9.690   0.200
  651   1HG1  VAL  72          1HG1      VAL  72   6.299   7.622  -0.064
  652   2HG1  VAL  72          3HG1      VAL  72   4.884   8.539  -0.634
  653   3HG1  VAL  72          2HG1      VAL  72   6.396   8.553  -1.597
  654   1HG2  VAL  72          2HG2      VAL  72   4.914  10.968  -0.735
  655   2HG2  VAL  72          1HG2      VAL  72   6.415  11.762  -0.172
  656   3HG2  VAL  72          3HG2      VAL  72   6.415  10.818  -1.671
  657    MG1  VAL  72           QG1      VAL  72   5.860   8.238  -0.765
  658    MG2  VAL  72           QG2      VAL  72   5.915  11.182  -0.860
  659    QG   VAL  72           QQG      VAL  72   5.887   9.710  -0.812
  660    H    ALA  73           H        ALA  73   7.886  10.616   2.546
  661    HA   ALA  73           HA       ALA  73   8.995   8.171   3.356
  662   1HB   ALA  73          1HB       ALA  73   9.764  10.907   4.223
  663   2HB   ALA  73          3HB       ALA  73  10.676   9.392   4.425
  664   3HB   ALA  73          2HB       ALA  73  10.377  10.027   2.785
  665    MB   ALA  73           QB       ALA  73  10.272  10.108   3.811
  666    H    GLU  74           H        GLU  74   7.239  10.657   5.070
  667    HA   GLU  74           HA       GLU  74   7.419   9.631   7.713
  668   1HB   GLU  74          2HB       GLU  74   6.370  11.841   6.951
  669   2HB   GLU  74          1HB       GLU  74   4.995  10.913   6.393
  670   1HG   GLU  74          2HG       GLU  74   4.578  10.189   8.706
  671   2HG   GLU  74          1HG       GLU  74   5.945  11.167   9.239
  672    QB   GLU  74           QB       GLU  74   5.683  11.377   6.672
  673    QG   GLU  74           QG       GLU  74   5.262  10.678   8.972
  674    H    VAL  75           H        VAL  75   5.301   8.957   5.050
  675    HA   VAL  75           HA       VAL  75   3.927   6.814   6.177
  676    HB   VAL  75           HB       VAL  75   4.534   7.595   3.313
  677   1HG1  VAL  75          1HG1      VAL  75   4.329   5.198   3.369
  678   2HG1  VAL  75          3HG1      VAL  75   2.766   5.319   4.196
  679   3HG1  VAL  75          2HG1      VAL  75   2.966   5.961   2.551
  680   1HG2  VAL  75          2HG2      VAL  75   2.010   7.608   4.947
  681   2HG2  VAL  75          1HG2      VAL  75   2.992   9.012   4.527
  682   3HG2  VAL  75          3HG2      VAL  75   2.149   8.113   3.264
  683    MG1  VAL  75           QG1      VAL  75   3.354   5.493   3.372
  684    MG2  VAL  75           QG2      VAL  75   2.384   8.244   4.246
  685    QG   VAL  75           QQG      VAL  75   2.869   6.868   3.809
  686    H    MET  76           H        MET  76   6.864   6.731   3.969
  687    HA   MET  76           HA       MET  76   7.493   4.114   4.110
  688   1HB   MET  76          2HB       MET  76   9.424   6.422   4.237
  689   2HB   MET  76          1HB       MET  76   9.854   4.785   3.833
  690   1HG   MET  76          2HG       MET  76   7.781   6.127   2.344
  691   2HG   MET  76          1HG       MET  76   9.451   6.570   1.923
  692   1HE   MET  76          2HE       MET  76   6.496   4.344   1.902
  693   2HE   MET  76          1HE       MET  76   6.941   2.890   0.960
  694   3HE   MET  76          3HE       MET  76   7.508   3.068   2.606
  695    QB   MET  76           QB       MET  76   9.639   5.603   4.035
  696    QG   MET  76           QG       MET  76   8.616   6.348   2.133
  697    ME   MET  76           QE       MET  76   6.982   3.434   1.822
  698    H    SER  77           H        SER  77   8.501   6.558   6.473
  699    HA   SER  77           HA       SER  77  10.036   4.944   8.098
  700   1HB   SER  77          2HB       SER  77   9.835   7.423   8.255
  701   2HB   SER  77          1HB       SER  77   8.233   7.215   8.964
  702    HG   SER  77           HG       SER  77  10.673   7.060  10.098
  703    QB   SER  77           QB       SER  77   9.034   7.319   8.610
  704    H    HIS  78           H        HIS  78   6.558   5.582   8.283
  705    HA   HIS  78           HA       HIS  78   6.225   3.732  10.465
  706   1HB   HIS  78          2HB       HIS  78   4.147   4.984   8.655
  707   2HB   HIS  78          1HB       HIS  78   3.749   3.950  10.024
  708    HD1  HIS  78          1HD       HIS  78   3.669   7.352   9.333
  709    HD2  HIS  78          2HD       HIS  78   5.397   5.145  12.400
  710    HE1  HIS  78          1HE       HIS  78   4.123   8.979  11.159
  711    HE2  HIS  78          2HE       HIS  78   5.484   7.664  12.810
  712    QB   HIS  78           QB       HIS  78   3.948   4.467   9.339
  713    H    ILE  79           H        ILE  79   6.145   3.462   7.088
  714    HA   ILE  79           HA       ILE  79   4.868   0.929   6.974
  715    HB   ILE  79           HB       ILE  79   5.856   2.929   5.138
  716   1HG1  ILE  79          2HG1      ILE  79   3.489   1.065   5.140
  717   2HG1  ILE  79          1HG1      ILE  79   3.545   2.771   5.536
  718   1HG2  ILE  79          2HG2      ILE  79   6.268   0.127   4.340
  719   2HG2  ILE  79          1HG2      ILE  79   5.849   1.387   3.136
  720   3HG2  ILE  79          3HG2      ILE  79   7.278   1.533   4.147
  721   1HD1  ILE  79          3HD1      ILE  79   4.128   3.244   3.190
  722   2HD1  ILE  79          2HD1      ILE  79   3.913   1.527   2.844
  723   3HD1  ILE  79          1HD1      ILE  79   2.542   2.488   3.398
  724    MG   ILE  79           QG2      ILE  79   6.465   1.015   3.874
  725    MD   ILE  79           QD1      ILE  79   3.528   2.420   3.144
  726    QG   ILE  79           QG1      ILE  79   3.517   1.918   5.338
  727    H    GLN  80           H        GLN  80   8.270   1.860   6.439
  728    HA   GLN  80           HA       GLN  80   9.260  -0.709   6.121
  729   1HB   GLN  80          2HB       GLN  80  10.558   1.848   7.080
  730   2HB   GLN  80          1HB       GLN  80  11.438   0.415   6.556
  731   1HG   GLN  80          2HG       GLN  80   9.547   2.022   4.751
  732   2HG   GLN  80          1HG       GLN  80  11.244   2.129   4.684
  733   1HE2  GLN  80          1HE2      GLN  80   8.642   0.197   4.090
  734   2HE2  GLN  80          2HE2      GLN  80   9.548  -0.920   3.111
  735    QB   GLN  80           QB       GLN  80  10.998   1.131   6.818
  736    QG   GLN  80           QG       GLN  80  10.395   2.076   4.717
  737    QE   GLN  80           QE2      GLN  80   9.095  -0.362   3.600
  738    H    ARG  81           H        ARG  81   8.187   0.906   8.908
  739    HA   ARG  81           HA       ARG  81   9.460  -1.024  10.727
  740   1HB   ARG  81          2HB       ARG  81   8.158   1.676  11.153
  741   2HB   ARG  81          1HB       ARG  81   8.647   0.607  12.467
  742   1HG   ARG  81          2HG       ARG  81  10.896   0.796  11.959
  743   2HG   ARG  81          1HG       ARG  81  10.590   1.540  10.385
  744   1HD   ARG  81          2HD       ARG  81  11.373   3.113  12.198
  745   2HD   ARG  81          1HD       ARG  81   9.855   3.567  11.423
  746    HE   ARG  81           HE       ARG  81   9.159   2.066  13.605
  747   1HH1  ARG  81          1HH1      ARG  81  11.034   5.055  13.193
  748   2HH1  ARG  81          2HH1      ARG  81  10.458   5.736  14.646
  749   1HH2  ARG  81          1HH2      ARG  81   8.348   3.031  15.497
  750   2HH2  ARG  81          2HH2      ARG  81   8.881   4.562  16.000
  751    QB   ARG  81           QB       ARG  81   8.402   1.141  11.810
  752    QG   ARG  81           QG       ARG  81  10.743   1.168  11.172
  753    QD   ARG  81           QD       ARG  81  10.614   3.340  11.811
  754    QH1  ARG  81           QH1      ARG  81  10.746   5.395  13.920
  755    QH2  ARG  81           QH2      ARG  81   8.614   3.797  15.748
  756    H    ASP  82           H        ASP  82   7.379  -1.905   9.055
  757    HA   ASP  82           HA       ASP  82   4.916  -1.887  10.662
  758   1HB   ASP  82          2HB       ASP  82   4.930  -1.381   8.107
  759   2HB   ASP  82          1HB       ASP  82   5.325  -3.041   7.936
  760    QB   ASP  82           QB       ASP  82   5.128  -2.211   8.022
  761    H    ARG  83           H        ARG  83   4.397  -4.482   8.891
  762    HA   ARG  83           HA       ARG  83   5.570  -6.652  10.248
  763   1HB   ARG  83          2HB       ARG  83   3.682  -7.132  11.810
  764   2HB   ARG  83          1HB       ARG  83   4.617  -5.703  12.234
  765   1HG   ARG  83          2HG       ARG  83   2.926  -4.285  11.199
  766   2HG   ARG  83          1HG       ARG  83   1.970  -5.689  10.798
  767   1HD   ARG  83          2HD       ARG  83   1.901  -6.313  13.229
  768   2HD   ARG  83          1HD       ARG  83   2.691  -4.785  13.582
  769    HE   ARG  83           HE       ARG  83   0.029  -4.971  12.305
  770   1HH1  ARG  83          1HH1      ARG  83   2.226  -3.445  14.619
  771   2HH1  ARG  83          2HH1      ARG  83   1.037  -2.428  15.292
  772   1HH2  ARG  83          1HH2      ARG  83  -1.603  -3.618  13.249
  773   2HH2  ARG  83          2HH2      ARG  83  -1.171  -2.528  14.506
  774    QB   ARG  83           QB       ARG  83   4.150  -6.417  12.022
  775    QG   ARG  83           QG       ARG  83   2.448  -4.987  10.998
  776    QD   ARG  83           QD       ARG  83   2.296  -5.549  13.406
  777    QH1  ARG  83           QH1      ARG  83   1.631  -2.936  14.956
  778    QH2  ARG  83           QH2      ARG  83  -1.387  -3.073  13.877
  779    H    ARG  84           H        ARG  84   2.729  -5.223   8.616
  780    HA   ARG  84           HA       ARG  84   1.378  -7.704   8.099
  781   1HB   ARG  84          2HB       ARG  84   0.927  -4.953   6.945
  782   2HB   ARG  84          1HB       ARG  84  -0.175  -6.300   6.808
  783   1HG   ARG  84          2HG       ARG  84  -1.225  -5.437   8.587
  784   2HG   ARG  84          1HG       ARG  84   0.159  -5.947   9.546
  785   1HD   ARG  84          2HD       ARG  84   1.220  -3.808   9.297
  786   2HD   ARG  84          1HD       ARG  84   0.007  -3.311   8.119
  787    HE   ARG  84           HE       ARG  84  -1.243  -4.020  10.483
  788   1HH1  ARG  84          1HH1      ARG  84   1.061  -1.535   9.507
  789   2HH1  ARG  84          2HH1      ARG  84   0.288  -0.256  10.291
  790   1HH2  ARG  84          1HH2      ARG  84  -2.335  -2.328  11.583
  791   2HH2  ARG  84          2HH2      ARG  84  -1.717  -0.709  11.564
  792    QB   ARG  84           QB       ARG  84   0.376  -5.627   6.877
  793    QG   ARG  84           QG       ARG  84  -0.533  -5.692   9.067
  794    QD   ARG  84           QD       ARG  84   0.614  -3.560   8.708
  795    QH1  ARG  84           QH1      ARG  84   0.674  -0.895   9.899
  796    QH2  ARG  84           QH2      ARG  84  -2.026  -1.518  11.573
  797    H    HIS  85           H        HIS  85   3.098  -5.389   6.386
  798    HA   HIS  85           HA       HIS  85   2.917  -6.960   3.966
  799   1HB   HIS  85          2HB       HIS  85   3.921  -5.020   2.755
  800   2HB   HIS  85          1HB       HIS  85   2.316  -4.763   3.414
  801    HD1  HIS  85          1HD       HIS  85   3.307  -2.179   2.883
  802    HD2  HIS  85          2HD       HIS  85   4.728  -4.031   6.327
  803    HE1  HIS  85          1HE       HIS  85   4.463  -0.509   4.253
  804    HE2  HIS  85          2HE       HIS  85   5.332  -1.662   6.198
  805    QB   HIS  85           QB       HIS  85   3.119  -4.891   3.085
  806    H    SER  86           H        SER  86   4.129  -8.435   3.969
  807    HA   SER  86           HA       SER  86   5.911  -9.262   5.572
  808   1HB   SER  86          2HB       SER  86   4.794 -10.311   3.607
  809   2HB   SER  86          1HB       SER  86   6.224  -9.873   2.721
  810    HG   SER  86           HG       SER  86   6.750 -11.165   5.128
  811    QB   SER  86           QB       SER  86   5.509 -10.092   3.164
  812    H    ASN  87           H        ASN  87   7.027  -7.474   2.942
  813    HA   ASN  87           HA       ASN  87   9.612  -7.333   4.301
  814   1HB   ASN  87          2HB       ASN  87   9.569  -7.378   1.289
  815   2HB   ASN  87          1HB       ASN  87  10.983  -7.428   2.305
  816   1HD2  ASN  87          1HD2      ASN  87  10.311  -9.107   0.174
  817   2HD2  ASN  87          2HD2      ASN  87  10.158 -10.716   0.800
  818    QB   ASN  87           QB       ASN  87  10.276  -7.403   1.797
  819    QD   ASN  87           QD2      ASN  87  10.234  -9.911   0.487
  820    H    VAL  88           H        VAL  88   7.346  -5.764   2.753
  821    HA   VAL  88           HA       VAL  88   7.360  -4.094   1.305
  822    HB   VAL  88           HB       VAL  88   6.259  -3.417   3.177
  823   1HG1  VAL  88          2HG1      VAL  88   7.784  -3.685   4.852
  824   2HG1  VAL  88          1HG1      VAL  88   8.728  -2.235   4.329
  825   3HG1  VAL  88          3HG1      VAL  88   7.013  -2.036   4.800
  826   1HG2  VAL  88          3HG2      VAL  88   6.668  -1.770   1.344
  827   2HG2  VAL  88          2HG2      VAL  88   6.148  -1.079   2.872
  828   3HG2  VAL  88          1HG2      VAL  88   7.846  -0.991   2.394
  829    MG1  VAL  88           QG1      VAL  88   7.842  -2.652   4.660
  830    MG2  VAL  88           QG2      VAL  88   6.887  -1.280   2.203
  831    QG   VAL  88           QQG      VAL  88   7.364  -1.966   3.432
  832    H    GLU  89           H        GLU  89   8.868  -4.631   0.038
  833    HA   GLU  89           HA       GLU  89  11.335  -3.113   0.102
  834   1HB   GLU  89          2HB       GLU  89  10.225  -5.222  -1.665
  835   2HB   GLU  89          1HB       GLU  89  11.767  -4.467  -1.999
  836   1HG   GLU  89          2HG       GLU  89  12.728  -5.343  -0.078
  837   2HG   GLU  89          1HG       GLU  89  11.138  -5.727   0.577
  838    QB   GLU  89           QB       GLU  89  10.996  -4.845  -1.832
  839    QG   GLU  89           QG       GLU  89  11.933  -5.535   0.249
  840    H    ILE  90           H        ILE  90  10.512  -1.142  -0.165
  841    HA   ILE  90           HA       ILE  90   9.052   0.058  -2.219
  842    HB   ILE  90           HB       ILE  90  11.705   1.209  -1.522
  843   1HG1  ILE  90          2HG1      ILE  90  11.130   0.321   0.625
  844   2HG1  ILE  90          1HG1      ILE  90  10.896   2.059   0.661
  845   1HG2  ILE  90          3HG2      ILE  90  10.005   2.583  -2.832
  846   2HG2  ILE  90          2HG2      ILE  90   8.938   2.460  -1.411
  847   3HG2  ILE  90          1HG2      ILE  90  10.416   3.328  -1.281
  848   1HD1  ILE  90          2HD1      ILE  90   8.524   1.739   0.315
  849   2HD1  ILE  90          1HD1      ILE  90   8.757  -0.007   0.346
  850   3HD1  ILE  90          3HD1      ILE  90   9.093   0.950   1.800
  851    MG   ILE  90           QG2      ILE  90   9.786   2.790  -1.841
  852    MD   ILE  90           QD1      ILE  90   8.792   0.894   0.820
  853    QG   ILE  90           QG1      ILE  90  11.013   1.190   0.643
  854    H    LEU  91           H        LEU  91  12.380   0.004  -2.382
  855    HA   LEU  91           HA       LEU  91  13.895  -0.413  -3.961
  856   1HB   LEU  91          2HB       LEU  91  11.757  -2.207  -5.089
  857   2HB   LEU  91          1HB       LEU  91  13.410  -2.167  -5.670
  858    HG   LEU  91           HG       LEU  91  12.571  -3.031  -2.859
  859   1HD1  LEU  91          1HD1      LEU  91  13.523  -4.610  -5.230
  860   2HD1  LEU  91          3HD1      LEU  91  13.252  -5.229  -3.602
  861   3HD1  LEU  91          2HD1      LEU  91  11.897  -4.616  -4.548
  862   1HD2  LEU  91          3HD2      LEU  91  15.266  -3.052  -4.233
  863   2HD2  LEU  91          2HD2      LEU  91  14.806  -1.984  -2.904
  864   3HD2  LEU  91          1HD2      LEU  91  14.902  -3.723  -2.644
  865    MD1  LEU  91           QD1      LEU  91  12.891  -4.818  -4.460
  866    MD2  LEU  91           QD2      LEU  91  14.992  -2.920  -3.260
  867    QB   LEU  91           QB       LEU  91  12.584  -2.187  -5.380
  868    QD   LEU  91           QQD      LEU  91  13.941  -3.869  -3.860
  869    H    ALA  92           H        ALA  92  10.926   1.094  -4.859
  870    HA   ALA  92           HA       ALA  92  12.416   2.417  -7.010
  871   1HB   ALA  92          1HB       ALA  92  10.982   0.846  -8.151
  872   2HB   ALA  92          2HB       ALA  92  10.327   2.486  -8.363
  873   3HB   ALA  92          3HB       ALA  92   9.601   1.384  -7.201
  874    MB   ALA  92           QB       ALA  92  10.303   1.572  -7.905
  875    H    GLU  93           H        GLU  93  12.589   4.443  -6.333
  876    HA   GLU  93           HA       GLU  93  10.130   5.723  -5.411
  877   1HB   GLU  93          2HB       GLU  93  12.921   6.449  -4.410
  878   2HB   GLU  93          1HB       GLU  93  11.365   7.129  -3.943
  879   1HG   GLU  93          2HG       GLU  93  10.659   5.200  -2.970
  880   2HG   GLU  93          1HG       GLU  93  12.144   4.334  -3.419
  881    QB   GLU  93           QB       GLU  93  12.143   6.789  -4.176
  882    QG   GLU  93           QG       GLU  93  11.401   4.767  -3.195
  883    H    GLU  94           H        GLU  94   9.510   7.007  -6.917
  884    HA   GLU  94           HA       GLU  94  11.522   8.311  -8.609
  885   1HB   GLU  94          2HB       GLU  94   9.727   8.290 -10.385
  886   2HB   GLU  94          1HB       GLU  94  10.356   6.710  -9.945
  887   1HG   GLU  94          2HG       GLU  94   8.431   6.215  -8.648
  888   2HG   GLU  94          1HG       GLU  94   7.805   7.861  -8.831
  889    QB   GLU  94           QB       GLU  94  10.042   7.500 -10.165
  890    QG   GLU  94           QG       GLU  94   8.118   7.038  -8.739
  891    H    SER  95           H        SER  95  11.368  10.467  -8.882
  892    HA   SER  95           HA       SER  95   9.497  11.974  -7.290
  893   1HB   SER  95          2HB       SER  95  11.571  12.884  -9.300
  894   2HB   SER  95          1HB       SER  95  10.774  13.875  -8.066
  895    HG   SER  95           HG       SER  95  12.653  13.290  -7.086
  896    QB   SER  95           QB       SER  95  11.173  13.380  -8.683
  897    H    ILE  96           H        ILE  96   7.592  12.620  -7.934
  898    HA   ILE  96           HA       ILE  96   6.959  12.274 -10.818
  899    HB   ILE  96           HB       ILE  96   4.784  11.672 -10.279
  900   1HG1  ILE  96          2HG1      ILE  96   5.641  11.609  -7.395
  901   2HG1  ILE  96          1HG1      ILE  96   4.696  12.909  -8.077
  902   1HG2  ILE  96          2HG2      ILE  96   6.528   9.989 -10.528
  903   2HG2  ILE  96          1HG2      ILE  96   6.834  10.021  -8.799
  904   3HG2  ILE  96          3HG2      ILE  96   5.283   9.413  -9.406
  905   1HD1  ILE  96          3HD1      ILE  96   2.992  11.183  -8.643
  906   2HD1  ILE  96          2HD1      ILE  96   3.938  10.084  -7.636
  907   3HD1  ILE  96          1HD1      ILE  96   3.274  11.579  -6.950
  908    MG   ILE  96           QG2      ILE  96   6.215   9.808  -9.577
  909    MD   ILE  96           QD1      ILE  96   3.401  10.948  -7.743
  910    QG   ILE  96           QG1      ILE  96   5.169  12.259  -7.736
  911    H    ALA  97           H        ALA  97   4.945  13.301 -11.557
  912    HA   ALA  97           HA       ALA  97   4.690  15.977 -10.432
  913   1HB   ALA  97          3HB       ALA  97   5.182  15.730 -12.854
  914   2HB   ALA  97          1HB       ALA  97   3.654  16.593 -12.460
  915   3HB   ALA  97          2HB       ALA  97   3.590  14.898 -12.931
  916    MB   ALA  97           QB       ALA  97   4.142  15.741 -12.749
  917    H    LYS  98           H        LYS  98   3.562  13.263 -10.128
  918    HA   LYS  98           HA       LYS  98   1.709  12.145  -9.469
  919   1HB   LYS  98          2HB       LYS  98   2.281  14.006  -7.956
  920   2HB   LYS  98          1HB       LYS  98   0.888  14.805  -8.633
  921   1HG   LYS  98          2HG       LYS  98   0.248  12.149  -7.825
  922   2HG   LYS  98          1HG       LYS  98   1.174  13.030  -6.647
  923   1HD   LYS  98          2HD       LYS  98  -0.782  14.782  -7.547
  924   2HD   LYS  98          1HD       LYS  98  -1.568  13.282  -6.969
  925   1HE   LYS  98          2HE       LYS  98  -0.004  13.377  -5.158
  926   2HE   LYS  98          1HE       LYS  98   0.418  15.022  -5.688
  927   1HZ   LYS  98          2HZ       LYS  98  -2.354  14.177  -4.954
  928   2HZ   LYS  98          1HZ       LYS  98  -1.366  15.002  -3.865
  929   3HZ   LYS  98          3HZ       LYS  98  -1.882  15.737  -5.299
  930    QB   LYS  98           QB       LYS  98   1.585  14.405  -8.294
  931    QD   LYS  98           QD       LYS  98  -1.175  14.032  -7.258
  932    QG   LYS  98           QG       LYS  98   0.711  12.590  -7.236
  933    QE   LYS  98           QE       LYS  98   0.207  14.200  -5.423
  934    QZ   LYS  98           QZ       LYS  98  -1.867  14.972  -4.706
  935    H    ARG  99           H        ARG  99  -0.811  12.698  -9.277
  936    HA   ARG  99           HA       ARG  99  -2.772  13.246 -10.147
  937   1HB   ARG  99          2HB       ARG  99  -1.705  15.278 -11.193
  938   2HB   ARG  99          1HB       ARG  99  -1.370  14.329 -12.613
  939   1HG   ARG  99          2HG       ARG  99  -3.787  14.014 -12.982
  940   2HG   ARG  99          1HG       ARG  99  -4.119  14.951 -11.534
  941   1HD   ARG  99          2HD       ARG  99  -4.358  16.312 -13.531
  942   2HD   ARG  99          1HD       ARG  99  -3.046  16.894 -12.502
  943    HE   ARG  99           HE       ARG  99  -2.517  15.156 -14.793
  944   1HH1  ARG  99          1HH1      ARG  99  -2.106  18.269 -13.181
  945   2HH1  ARG  99          2HH1      ARG  99  -0.849  18.845 -14.132
  946   1HH2  ARG  99          1HH2      ARG  99  -0.818  15.941 -16.258
  947   2HH2  ARG  99          2HH2      ARG  99  -0.091  17.470 -15.987
  948    QB   ARG  99           QB       ARG  99  -1.537  14.804 -11.903
  949    QG   ARG  99           QG       ARG  99  -3.953  14.483 -12.258
  950    QD   ARG  99           QD       ARG  99  -3.702  16.603 -13.017
  951    QH1  ARG  99           QH1      ARG  99  -1.477  18.557 -13.656
  952    QH2  ARG  99           QH2      ARG  99  -0.455  16.705 -16.123
  953    H    ARG 100           H        ARG 100  -1.392  10.843 -10.274
  954    HA   ARG 100           HA       ARG 100  -2.538   9.528 -12.585
  955   1HB   ARG 100          2HB       ARG 100  -1.153   8.455 -10.125
  956   2HB   ARG 100          1HB       ARG 100  -1.578   7.519 -11.552
  957   1HG   ARG 100          2HG       ARG 100  -0.017   8.720 -12.894
  958   2HG   ARG 100          1HG       ARG 100   0.225   9.882 -11.574
  959   1HD   ARG 100          2HD       ARG 100   1.335   8.265 -10.231
  960   2HD   ARG 100          1HD       ARG 100   0.829   6.938 -11.275
  961    HE   ARG 100           HE       ARG 100   2.314   8.284 -12.955
  962   1HH1  ARG 100          1HH1      ARG 100   3.080   7.832  -9.512
  963   2HH1  ARG 100          2HH1      ARG 100   4.728   7.534  -9.804
  964   1HH2  ARG 100          1HH2      ARG 100   4.625   7.862 -13.294
  965   2HH2  ARG 100          2HH2      ARG 100   5.640   7.569 -11.956
  966    QB   ARG 100           QB       ARG 100  -1.365   7.987 -10.838
  967    QG   ARG 100           QG       ARG 100   0.104   9.301 -12.234
  968    QD   ARG 100           QD       ARG 100   1.082   7.602 -10.753
  969    QH1  ARG 100           QH1      ARG 100   3.904   7.683  -9.658
  970    QH2  ARG 100           QH2      ARG 100   5.132   7.716 -12.625
  971    H    PHE 101           H        PHE 101  -2.887   9.763  -9.043
  972    HA   PHE 101           HA       PHE 101  -5.676   8.997  -9.348
  973   1HB   PHE 101          2HB       PHE 101  -3.708   8.178  -7.186
  974   2HB   PHE 101          1HB       PHE 101  -5.450   8.050  -6.989
  975    HD1  PHE 101          1HD       PHE 101  -6.565   6.133  -7.726
  976    HD2  PHE 101          2HD       PHE 101  -2.636   6.925  -9.154
  977    HE1  PHE 101          1HE       PHE 101  -6.513   3.929  -8.811
  978    HE2  PHE 101          2HE       PHE 101  -2.588   4.729 -10.239
  979    HZ   PHE 101           HZ       PHE 101  -4.491   3.229 -10.071
  980    QB   PHE 101           QB       PHE 101  -4.579   8.114  -7.087
  981    QD   PHE 101           QD       PHE 101  -4.601   6.529  -8.440
  982    QE   PHE 101           QE       PHE 101  -4.551   4.329  -9.525
  983    QR   PHE 101           QR       PHE 101  -4.559   4.989  -9.200
  984    H    ALA 102           H        ALA 102  -6.947   9.846  -7.534
  985    HA   ALA 102           HA       ALA 102  -5.917  12.434  -6.587
  986   1HB   ALA 102          2HB       ALA 102  -7.708  12.723  -8.249
  987   2HB   ALA 102          1HB       ALA 102  -8.776  11.711  -7.268
  988   3HB   ALA 102          3HB       ALA 102  -8.229  13.273  -6.656
  989    MB   ALA 102           QB       ALA 102  -8.238  12.569  -7.391
  990    H    GLY 103           H        GLY 103  -6.824   9.388  -5.716
  991   1HA   GLY 103          1HA       GLY 103  -8.218   9.258  -3.494
  992   2HA   GLY 103          2HA       GLY 103  -6.774  10.105  -2.927
  993    QA   GLY 103           QA       GLY 103  -7.496   9.682  -3.210
  994    H    TRP 104           H        TRP 104  -6.200   8.220  -1.641
  995    HA   TRP 104           HA       TRP 104  -4.840   6.199  -3.169
  996   1HB   TRP 104          2HB       TRP 104  -3.648   6.923  -1.242
  997   2HB   TRP 104          1HB       TRP 104  -5.058   6.796  -0.227
  998    HD1  TRP 104           HD       TRP 104  -2.068   4.775  -1.416
  999    HE1  TRP 104          1HE       TRP 104  -2.096   2.521  -0.236
 1000    HE3  TRP 104          3HE       TRP 104  -6.714   5.021   0.712
 1001    HZ2  TRP 104          2HZ       TRP 104  -3.928   1.047   1.430
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.497   3.353   1.962
 1003    HH2  TRP 104           HH       TRP 104  -6.237   1.365   2.385
 1004    QB   TRP 104           QB       TRP 104  -4.353   6.859  -0.735
 1005    H    HIS 105           H        HIS 105  -5.275   3.984  -3.236
 1006    HA   HIS 105           HA       HIS 105  -8.038   3.323  -2.519
 1007   1HB   HIS 105          2HB       HIS 105  -6.470   2.873  -5.012
 1008   2HB   HIS 105          1HB       HIS 105  -7.906   1.899  -4.657
 1009    HD1  HIS 105          1HD       HIS 105  -6.782   5.387  -5.542
 1010    HD2  HIS 105          2HD       HIS 105 -10.330   3.263  -5.078
 1011    HE1  HIS 105          1HE       HIS 105  -8.586   6.863  -6.438
 1012    HE2  HIS 105          2HE       HIS 105 -10.701   5.689  -5.846
 1013    QB   HIS 105           QB       HIS 105  -7.188   2.386  -4.835
 1014    H    MET 106           H        MET 106  -8.361   1.209  -1.880
 1015    HA   MET 106           HA       MET 106  -5.902  -0.228  -1.232
 1016   1HB   MET 106          2HB       MET 106  -7.841   0.472   0.495
 1017   2HB   MET 106          1HB       MET 106  -8.606  -0.968  -0.137
 1018   1HG   MET 106          2HG       MET 106  -5.886  -0.909   1.201
 1019   2HG   MET 106          1HG       MET 106  -7.393  -1.320   1.991
 1020   1HE   MET 106          2HE       MET 106  -4.678  -3.091   1.948
 1021   2HE   MET 106          1HE       MET 106  -6.116  -3.574   2.872
 1022   3HE   MET 106          3HE       MET 106  -5.348  -4.712   1.744
 1023    QB   MET 106           QB       MET 106  -8.224  -0.248   0.179
 1024    QG   MET 106           QG       MET 106  -6.640  -1.114   1.596
 1025    ME   MET 106           QE       MET 106  -5.381  -3.792   2.188
 1026    H    GLN 107           H        GLN 107  -6.327  -2.682  -1.492
 1027    HA   GLN 107           HA       GLN 107  -7.536  -3.153  -4.062
 1028   1HB   GLN 107          2HB       GLN 107  -5.488  -4.352  -3.406
 1029   2HB   GLN 107          1HB       GLN 107  -6.338  -5.079  -2.051
 1030   1HG   GLN 107          2HG       GLN 107  -6.142  -6.694  -3.804
 1031   2HG   GLN 107          1HG       GLN 107  -7.832  -6.216  -3.653
 1032   1HE2  GLN 107          1HE2      GLN 107  -6.412  -7.424  -5.856
 1033   2HE2  GLN 107          2HE2      GLN 107  -6.632  -6.390  -7.213
 1034    QB   GLN 107           QB       GLN 107  -5.913  -4.716  -2.728
 1035    QG   GLN 107           QG       GLN 107  -6.987  -6.455  -3.729
 1036    QE   GLN 107           QE2      GLN 107  -6.522  -6.907  -6.534
 1037    H    LEU 108           H        LEU 108  -8.167  -3.781  -0.666
 1038    HA   LEU 108           HA       LEU 108 -10.632  -5.117  -1.348
 1039   1HB   LEU 108          2HB       LEU 108  -8.965  -5.852   0.534
 1040   2HB   LEU 108          1HB       LEU 108  -9.696  -4.572   1.470
 1041    HG   LEU 108           HG       LEU 108 -10.619  -6.756   2.073
 1042   1HD1  LEU 108          3HD1      LEU 108 -12.671  -5.095   0.643
 1043   2HD1  LEU 108          2HD1      LEU 108 -13.009  -6.358   1.829
 1044   3HD1  LEU 108          1HD1      LEU 108 -12.138  -4.900   2.312
 1045   1HD2  LEU 108          3HD2      LEU 108 -10.269  -7.931  -0.012
 1046   2HD2  LEU 108          2HD2      LEU 108 -11.950  -8.075   0.501
 1047   3HD2  LEU 108          1HD2      LEU 108 -11.524  -6.967  -0.798
 1048    MD1  LEU 108           QD1      LEU 108 -12.606  -5.451   1.595
 1049    MD2  LEU 108           QD2      LEU 108 -11.248  -7.658  -0.103
 1050    QB   LEU 108           QB       LEU 108  -9.330  -5.212   1.002
 1051    QD   LEU 108           QQD      LEU 108 -11.927  -6.554   0.746
 1052    H    SER 109           H        SER 109 -11.110  -3.014  -2.339
 1053    HA   SER 109           HA       SER 109 -12.632  -1.313  -0.491
 1054   1HB   SER 109          2HB       SER 109 -12.106  -1.013  -3.477
 1055   2HB   SER 109          1HB       SER 109 -12.837   0.203  -2.429
 1056    HG   SER 109           HG       SER 109 -10.836   0.093  -1.214
 1057    QB   SER 109           QB       SER 109 -12.472  -0.405  -2.953
 1058    H    CYS 110           H        CYS 110 -12.649  -3.719  -2.902
 1059    HA   CYS 110           HA       CYS 110 -14.899  -5.025  -2.304
 1060   1HB   CYS 110          2HB       CYS 110 -16.034  -2.960  -3.397
 1061   2HB   CYS 110          1HB       CYS 110 -15.221  -3.436  -4.889
 1062    HG   CYS 110           HG       CYS 110 -17.641  -4.370  -5.379
 1063    QB   CYS 110           QB       CYS 110 -15.628  -3.198  -4.143
 1064    H    SER 111           H        SER 111 -15.180  -6.467  -4.581
 1065    HA   SER 111           HA       SER 111 -12.858  -6.545  -6.162
 1066   1HB   SER 111          2HB       SER 111 -12.118  -8.830  -5.407
 1067   2HB   SER 111          1HB       SER 111 -11.766  -7.544  -4.247
 1068    HG   SER 111           HG       SER 111 -13.597  -8.180  -3.094
 1069    QB   SER 111           QB       SER 111 -11.942  -8.187  -4.827
 1070    H    GLU 112           H        GLU 112 -12.922  -8.973  -7.154
 1071    HA   GLU 112           HA       GLU 112 -15.175  -9.135  -8.757
 1072   1HB   GLU 112          2HB       GLU 112 -13.208 -11.295  -7.942
 1073   2HB   GLU 112          1HB       GLU 112 -14.354 -11.444  -9.258
 1074   1HG   GLU 112          2HG       GLU 112 -12.105 -10.949 -10.095
 1075   2HG   GLU 112          1HG       GLU 112 -13.227  -9.644 -10.455
 1076    QB   GLU 112           QB       GLU 112 -13.781 -11.370  -8.600
 1077    QG   GLU 112           QG       GLU 112 -12.666 -10.296 -10.275
 1078    H    ALA 113           H        ALA 113 -14.204 -11.101  -6.024
 1079    HA   ALA 113           HA       ALA 113 -15.230 -12.305  -4.425
 1080   1HB   ALA 113          1HB       ALA 113 -17.205 -11.445  -3.396
 1081   2HB   ALA 113          3HB       ALA 113 -16.216 -10.079  -3.922
 1082   3HB   ALA 113          2HB       ALA 113 -17.637 -10.553  -4.855
 1083    MB   ALA 113           QB       ALA 113 -17.020 -10.692  -4.058
 1084    H    ASP 114           H        ASP 114 -16.418 -12.519  -7.507
 1085    HA   ASP 114           HA       ASP 114 -18.414 -14.511  -6.910
 1086   1HB   ASP 114          2HB       ASP 114 -18.647 -14.741  -9.308
 1087   2HB   ASP 114          1HB       ASP 114 -18.596 -13.033  -8.898
 1088    QB   ASP 114           QB       ASP 114 -18.621 -13.887  -9.103
 1089    H    MET 115           H        MET 115 -15.128 -14.333  -8.009
 1090    HA   MET 115           HA       MET 115 -14.734 -17.021  -8.593
 1091   1HB   MET 115          2HB       MET 115 -12.721 -15.020  -7.537
 1092   2HB   MET 115          1HB       MET 115 -12.306 -16.576  -8.235
 1093   1HG   MET 115          2HG       MET 115 -13.185 -15.882 -10.383
 1094   2HG   MET 115          1HG       MET 115 -13.701 -14.344  -9.691
 1095   1HE   MET 115          2HE       MET 115 -11.934 -14.577 -12.292
 1096   2HE   MET 115          1HE       MET 115 -12.408 -13.029 -11.597
 1097   3HE   MET 115          3HE       MET 115 -10.720 -13.330 -12.008
 1098    QB   MET 115           QB       MET 115 -12.514 -15.798  -7.886
 1099    QG   MET 115           QG       MET 115 -13.443 -15.113 -10.037
 1100    ME   MET 115           QE       MET 115 -11.687 -13.646 -11.966
 1101    H    ARG 116           H        ARG 116 -14.249 -15.127  -5.710
 1102    HA   ARG 116           HA       ARG 116 -14.301 -15.464  -3.497
 1103   1HB   ARG 116          2HB       ARG 116 -15.393 -18.154  -4.195
 1104   2HB   ARG 116          1HB       ARG 116 -15.350 -17.468  -2.567
 1105   1HG   ARG 116          2HG       ARG 116 -16.853 -15.684  -3.328
 1106   2HG   ARG 116          1HG       ARG 116 -16.899 -16.432  -4.926
 1107   1HD   ARG 116          2HD       ARG 116 -17.830 -17.659  -2.339
 1108   2HD   ARG 116          1HD       ARG 116 -18.845 -17.107  -3.671
 1109    HE   ARG 116           HE       ARG 116 -17.122 -18.934  -4.767
 1110   1HH1  ARG 116          1HH1      ARG 116 -19.723 -19.014  -2.366
 1111   2HH1  ARG 116          2HH1      ARG 116 -19.961 -20.696  -2.535
 1112   1HH2  ARG 116          1HH2      ARG 116 -17.482 -21.202  -4.977
 1113   2HH2  ARG 116          2HH2      ARG 116 -18.671 -21.955  -4.017
 1114    QB   ARG 116           QB       ARG 116 -15.372 -17.811  -3.381
 1115    QG   ARG 116           QG       ARG 116 -16.876 -16.058  -4.127
 1116    QD   ARG 116           QD       ARG 116 -18.337 -17.383  -3.005
 1117    QH1  ARG 116           QH1      ARG 116 -19.842 -19.855  -2.451
 1118    QH2  ARG 116           QH2      ARG 116 -18.077 -21.578  -4.497
 1119    H    SER 117           H        SER 117 -12.581 -17.810  -5.392
 1120    HA   SER 117           HA       SER 117 -11.264 -19.244  -3.425
 1121   1HB   SER 117          2HB       SER 117  -9.738 -19.594  -5.518
 1122   2HB   SER 117          1HB       SER 117 -11.391 -20.218  -5.498
 1123    HG   SER 117           HG       SER 117 -10.293 -18.376  -7.122
 1124    QB   SER 117           QB       SER 117 -10.564 -19.906  -5.508
 1125    H    LEU 118           H        LEU 118 -10.981 -16.085  -3.990
 1126    HA   LEU 118           HA       LEU 118  -8.191 -15.623  -3.805
 1127   1HB   LEU 118          2HB       LEU 118  -8.927 -13.238  -3.396
 1128   2HB   LEU 118          1HB       LEU 118  -9.429 -13.962  -4.901
 1129    HG   LEU 118           HG       LEU 118 -11.689 -14.381  -3.789
 1130   1HD1  LEU 118          1HD1      LEU 118 -10.650 -12.397  -1.791
 1131   2HD1  LEU 118          3HD1      LEU 118 -12.329 -12.916  -1.956
 1132   3HD1  LEU 118          2HD1      LEU 118 -11.089 -14.077  -1.481
 1133   1HD2  LEU 118          2HD2      LEU 118 -10.799 -11.546  -4.285
 1134   2HD2  LEU 118          1HD2      LEU 118 -11.389 -12.688  -5.491
 1135   3HD2  LEU 118          3HD2      LEU 118 -12.471 -12.099  -4.231
 1136    MD1  LEU 118           QD1      LEU 118 -11.356 -13.130  -1.743
 1137    MD2  LEU 118           QD2      LEU 118 -11.553 -12.111  -4.669
 1138    QB   LEU 118           QB       LEU 118  -9.178 -13.600  -4.149
 1139    QD   LEU 118           QQD      LEU 118 -11.454 -12.620  -3.206
 1140    H    GLY 119           H        GLY 119 -10.247 -16.810  -1.549
 1141   1HA   GLY 119          1HA       GLY 119  -9.099 -15.367   0.727
 1142   2HA   GLY 119          2HA       GLY 119  -8.668 -17.066   0.560
 1143    QA   GLY 119           QA       GLY 119  -8.883 -16.217   0.643
 1144    H    LEU 120           H        LEU 120 -11.787 -16.028  -0.420
 1145    HA   LEU 120           HA       LEU 120 -13.076 -16.548   2.111
 1146   1HB   LEU 120          2HB       LEU 120 -13.827 -14.928   0.209
 1147   2HB   LEU 120          1HB       LEU 120 -14.374 -16.398  -0.577
 1148    HG   LEU 120           HG       LEU 120 -15.444 -15.467   2.096
 1149   1HD1  LEU 120          3HD1      LEU 120 -15.927 -13.793   0.412
 1150   2HD1  LEU 120          2HD1      LEU 120 -16.584 -15.038  -0.657
 1151   3HD1  LEU 120          1HD1      LEU 120 -17.387 -14.665   0.868
 1152   1HD2  LEU 120          3HD2      LEU 120 -16.517 -17.453   0.080
 1153   2HD2  LEU 120          2HD2      LEU 120 -15.798 -17.854   1.639
 1154   3HD2  LEU 120          1HD2      LEU 120 -17.319 -16.967   1.574
 1155    MD1  LEU 120           QD1      LEU 120 -16.633 -14.499   0.208
 1156    MD2  LEU 120           QD2      LEU 120 -16.545 -17.425   1.098
 1157    QB   LEU 120           QB       LEU 120 -14.101 -15.663  -0.184
 1158    QD   LEU 120           QQD      LEU 120 -16.589 -15.962   0.653
 1159    H    ALA 121           H        ALA 121 -13.169 -18.030  -1.119
 1160    HA   ALA 121           HA       ALA 121 -14.161 -20.385   0.148
 1161   1HB   ALA 121          2HB       ALA 121 -14.276 -19.628  -2.765
 1162   2HB   ALA 121          3HB       ALA 121 -15.602 -19.551  -1.608
 1163   3HB   ALA 121          1HB       ALA 121 -14.933 -21.111  -2.073
 1164    MB   ALA 121           QB       ALA 121 -14.937 -20.097  -2.149
 1165    H    GLU 122           H        GLU 122 -12.326 -21.219   0.824
 1166    HA   GLU 122           HA       GLU 122 -10.687 -22.493  -1.190
 1167   1HB   GLU 122          2HB       GLU 122  -9.457 -20.451  -0.311
 1168   2HB   GLU 122          1HB       GLU 122  -9.562 -21.164   1.293
 1169   1HG   GLU 122          2HG       GLU 122  -8.260 -23.085   0.528
 1170   2HG   GLU 122          1HG       GLU 122  -8.145 -22.360  -1.075
 1171    QB   GLU 122           QB       GLU 122  -9.509 -20.807   0.491
 1172    QG   GLU 122           QG       GLU 122  -8.203 -22.723  -0.274
 1173    H    SER 123           H        SER 123  -9.802 -24.472  -0.290
 1174    HA   SER 123           HA       SER 123 -11.702 -25.737   1.331
 1175   1HB   SER 123          2HB       SER 123  -8.973 -26.637   0.418
 1176   2HB   SER 123          1HB       SER 123 -10.245 -27.686   1.061
 1177    HG   SER 123           HG       SER 123 -11.294 -26.147  -0.835
 1178    QB   SER 123           QB       SER 123  -9.609 -27.162   0.739
 1179    H    ARG 124           H        ARG 124 -11.451 -26.593   3.389
 1180    HA   ARG 124           HA       ARG 124  -9.384 -25.322   5.053
 1181   1HB   ARG 124          2HB       ARG 124 -11.012 -24.783   6.764
 1182   2HB   ARG 124          1HB       ARG 124 -11.618 -24.131   5.257
 1183   1HG   ARG 124          2HG       ARG 124 -12.548 -26.761   6.400
 1184   2HG   ARG 124          1HG       ARG 124 -13.318 -25.230   6.795
 1185   1HD   ARG 124          2HD       ARG 124 -14.044 -24.955   4.540
 1186   2HD   ARG 124          1HD       ARG 124 -13.043 -26.303   3.985
 1187    HE   ARG 124           HE       ARG 124 -14.567 -27.507   5.777
 1188   1HH1  ARG 124          1HH1      ARG 124 -15.581 -25.290   3.194
 1189   2HH1  ARG 124          2HH1      ARG 124 -17.094 -26.044   2.960
 1190   1HH2  ARG 124          1HH2      ARG 124 -16.589 -28.566   5.393
 1191   2HH2  ARG 124          2HH2      ARG 124 -17.698 -27.940   4.274
 1192    QB   ARG 124           QB       ARG 124 -11.315 -24.457   6.010
 1193    QG   ARG 124           QG       ARG 124 -12.933 -25.996   6.597
 1194    QD   ARG 124           QD       ARG 124 -13.544 -25.629   4.263
 1195    QH1  ARG 124           QH1      ARG 124 -16.337 -25.667   3.077
 1196    QH2  ARG 124           QH2      ARG 124 -17.144 -28.253   4.834
 1197    H    GLN 125           H        GLN 125  -9.496 -27.887   3.846
 1198    HA   GLN 125           HA       GLN 125  -9.439 -30.073   4.104
 1199   1HB   GLN 125          2HB       GLN 125  -7.751 -29.642   5.744
 1200   2HB   GLN 125          1HB       GLN 125  -8.988 -29.266   6.938
 1201   1HG   GLN 125          2HG       GLN 125  -9.732 -31.633   6.853
 1202   2HG   GLN 125          1HG       GLN 125  -8.451 -31.960   5.687
 1203   1HE2  GLN 125          1HE2      GLN 125  -8.020 -29.868   8.477
 1204   2HE2  GLN 125          2HE2      GLN 125  -6.987 -30.949   9.332
 1205    QB   GLN 125           QB       GLN 125  -8.370 -29.454   6.341
 1206    QG   GLN 125           QG       GLN 125  -9.092 -31.796   6.270
 1207    QE   GLN 125           QE2      GLN 125  -7.503 -30.409   8.905

  No H/Q in entry =        1207
  Start of MODEL    7
    1    H1   LEU   5          2HT       LEU   5   3.744  30.984 -29.113
    2    H2   LEU   5          1HT       LEU   5   2.549  31.344 -30.260
    3    H3   LEU   5          3HT       LEU   5   3.111  32.528 -29.197
    4    HA   LEU   5           HA       LEU   5   0.966  31.746 -28.471
    5   1HB   LEU   5          2HB       LEU   5   1.390  29.460 -29.526
    6   2HB   LEU   5          1HB       LEU   5   2.394  29.107 -28.139
    7    HG   LEU   5           HG       LEU   5   0.358  29.493 -26.701
    8   1HD1  LEU   5          2HD1      LEU   5  -1.037  29.371 -29.368
    9   2HD1  LEU   5          1HD1      LEU   5  -1.820  29.298 -27.790
   10   3HD1  LEU   5          3HD1      LEU   5  -0.968  30.758 -28.286
   11   1HD2  LEU   5          1HD2      LEU   5   0.287  27.252 -28.714
   12   2HD2  LEU   5          3HD2      LEU   5   1.192  27.269 -27.198
   13   3HD2  LEU   5          2HD2      LEU   5  -0.572  27.279 -27.174
   14    MD1  LEU   5           QD1      LEU   5  -1.275  29.809 -28.481
   15    MD2  LEU   5           QD2      LEU   5   0.302  27.267 -27.695
   16    QB   LEU   5           QB       LEU   5   1.892  29.284 -28.832
   17    QD   LEU   5           QQD      LEU   5  -0.486  28.538 -28.088
   18    H    GLU   6           H        GLU   6   0.608  31.765 -26.134
   19    HA   GLU   6           HA       GLU   6   3.045  32.263 -24.722
   20   1HB   GLU   6          2HB       GLU   6   1.149  33.896 -24.508
   21   2HB   GLU   6          1HB       GLU   6   0.243  32.531 -23.840
   22   1HG   GLU   6          2HG       GLU   6   1.116  34.234 -22.259
   23   2HG   GLU   6          1HG       GLU   6   1.495  32.548 -21.851
   24    QB   GLU   6           QB       GLU   6   0.696  33.214 -24.174
   25    QG   GLU   6           QG       GLU   6   1.306  33.391 -22.055
   26    H    ALA   7           H        ALA   7   3.487  31.240 -22.807
   27    HA   ALA   7           HA       ALA   7   2.729  28.428 -22.877
   28   1HB   ALA   7          2HB       ALA   7   4.881  29.842 -21.310
   29   2HB   ALA   7          3HB       ALA   7   5.103  28.954 -22.818
   30   3HB   ALA   7          1HB       ALA   7   4.612  28.098 -21.360
   31    MB   ALA   7           QB       ALA   7   4.865  28.965 -21.829
   32    H    ASP   8           H        ASP   8   1.604  27.497 -21.343
   33    HA   ASP   8           HA       ASP   8   0.504  29.143 -19.198
   34   1HB   ASP   8          2HB       ASP   8  -1.060  27.804 -20.579
   35   2HB   ASP   8          1HB       ASP   8  -0.214  26.334 -20.112
   36    QB   ASP   8           QB       ASP   8  -0.637  27.069 -20.345
   37    H    VAL   9           H        VAL   9   0.648  28.398 -16.998
   38    HA   VAL   9           HA       VAL   9   3.065  27.558 -16.313
   39    HB   VAL   9           HB       VAL   9   2.189  27.194 -13.990
   40   1HG1  VAL   9          2HG1      VAL   9   1.431  29.739 -15.413
   41   2HG1  VAL   9          1HG1      VAL   9   1.618  29.567 -13.669
   42   3HG1  VAL   9          3HG1      VAL   9   3.011  29.356 -14.731
   43   1HG2  VAL   9          3HG2      VAL   9  -0.352  27.965 -15.346
   44   2HG2  VAL   9          2HG2      VAL   9  -0.002  26.413 -14.588
   45   3HG2  VAL   9          1HG2      VAL   9  -0.150  27.878 -13.587
   46    MG1  VAL   9           QG1      VAL   9   2.020  29.554 -14.604
   47    MG2  VAL   9           QG2      VAL   9  -0.168  27.419 -14.507
   48    QG   VAL   9           QQG      VAL   9   0.926  28.486 -14.556
   49    H    THR  10           H        THR  10   0.210  25.622 -16.914
   50    HA   THR  10           HA       THR  10  -0.290  23.401 -16.722
   51    HB   THR  10           HB       THR  10   1.187  21.972 -17.882
   52    HG1  THR  10          1HG       THR  10   3.008  23.906 -17.331
   53   1HG2  THR  10          2HG2      THR  10  -0.397  23.281 -19.146
   54   2HG2  THR  10          1HG2      THR  10   0.739  24.625 -19.239
   55   3HG2  THR  10          3HG2      THR  10   1.085  23.122 -20.096
   56    MG   THR  10           QG2      THR  10   0.476  23.676 -19.494
   57    H    MET  11           H        MET  11  -0.092  23.756 -14.290
   58    HA   MET  11           HA       MET  11   2.180  22.355 -13.218
   59   1HB   MET  11          2HB       MET  11   0.049  24.005 -11.912
   60   2HB   MET  11          1HB       MET  11   1.314  23.158 -11.048
   61   1HG   MET  11          2HG       MET  11   2.992  24.523 -12.290
   62   2HG   MET  11          1HG       MET  11   1.654  25.400 -13.023
   63   1HE   MET  11          2HE       MET  11  -0.400  25.567 -10.573
   64   2HE   MET  11          1HE       MET  11   0.043  27.121  -9.868
   65   3HE   MET  11          3HE       MET  11  -0.045  26.941 -11.620
   66    QB   MET  11           QB       MET  11   0.682  23.581 -11.480
   67    QG   MET  11           QG       MET  11   2.323  24.961 -12.656
   68    ME   MET  11           QE       MET  11  -0.134  26.543 -10.687
   69    H    THR  12           H        THR  12   1.661  20.256 -13.702
   70    HA   THR  12           HA       THR  12  -0.734  19.068 -12.656
   71    HB   THR  12           HB       THR  12   0.476  17.067 -13.116
   72    HG1  THR  12          1HG       THR  12   2.387  17.515 -14.659
   73   1HG2  THR  12          2HG2      THR  12  -1.056  17.965 -14.753
   74   2HG2  THR  12          1HG2      THR  12   0.204  19.005 -15.413
   75   3HG2  THR  12          3HG2      THR  12   0.318  17.254 -15.610
   76    MG   THR  12           QG2      THR  12  -0.178  18.075 -15.259
   77    H    GLY  13           H        GLY  13   2.689  18.874 -11.955
   78   1HA   GLY  13          1HA       GLY  13   2.557  17.586  -9.568
   79   2HA   GLY  13          2HA       GLY  13   2.381  19.308  -9.206
   80    QA   GLY  13           QA       GLY  13   2.469  18.447  -9.387
   81    H    SER  14           H        SER  14   4.408  19.212  -8.173
   82    HA   SER  14           HA       SER  14   6.709  18.851  -9.945
   83   1HB   SER  14          2HB       SER  14   7.577  21.019  -8.916
   84   2HB   SER  14          1HB       SER  14   6.250  21.134 -10.081
   85    HG   SER  14           HG       SER  14   6.215  22.193  -7.773
   86    QB   SER  14           QB       SER  14   6.913  21.077  -9.499
   87    H    ASP  15           H        ASP  15   5.493  19.221  -6.580
   88    HA   ASP  15           HA       ASP  15   7.945  18.206  -5.570
   89   1HB   ASP  15          2HB       ASP  15   7.083  19.101  -3.504
   90   2HB   ASP  15          1HB       ASP  15   7.298  20.396  -4.632
   91    QB   ASP  15           QB       ASP  15   7.191  19.748  -4.068
   92    H    LEU  16           H        LEU  16   6.483  16.463  -6.749
   93    HA   LEU  16           HA       LEU  16   5.497  14.826  -4.560
   94   1HB   LEU  16          2HB       LEU  16   4.526  14.832  -7.371
   95   2HB   LEU  16          1HB       LEU  16   3.966  13.781  -6.082
   96    HG   LEU  16           HG       LEU  16   2.319  15.248  -6.357
   97   1HD1  LEU  16          1HD1      LEU  16   2.736  15.104  -4.049
   98   2HD1  LEU  16          3HD1      LEU  16   3.853  16.467  -4.126
   99   3HD1  LEU  16          2HD1      LEU  16   2.134  16.713  -4.436
  100   1HD2  LEU  16          1HD2      LEU  16   4.228  17.514  -6.662
  101   2HD2  LEU  16          3HD2      LEU  16   3.226  16.705  -7.872
  102   3HD2  LEU  16          2HD2      LEU  16   2.456  17.665  -6.607
  103    MD1  LEU  16           QD1      LEU  16   2.908  16.095  -4.204
  104    MD2  LEU  16           QD2      LEU  16   3.304  17.294  -7.047
  105    QB   LEU  16           QB       LEU  16   4.246  14.307  -6.726
  106    QD   LEU  16           QQD      LEU  16   3.106  16.694  -5.625
  107    H    VAL  17           H        VAL  17   5.631  12.684  -4.780
  108    HA   VAL  17           HA       VAL  17   7.655  11.775  -6.418
  109    HB   VAL  17           HB       VAL  17   7.885  12.015  -3.433
  110   1HG1  VAL  17          1HG1      VAL  17   9.181  10.115  -5.203
  111   2HG1  VAL  17          3HG1      VAL  17   9.858  10.493  -3.593
  112   3HG1  VAL  17          2HG1      VAL  17   8.207   9.789  -3.713
  113   1HG2  VAL  17          2HG2      VAL  17   9.003  13.702  -4.889
  114   2HG2  VAL  17          1HG2      VAL  17  10.134  12.795  -3.869
  115   3HG2  VAL  17          3HG2      VAL  17   9.970  12.403  -5.572
  116    MG1  VAL  17           QG1      VAL  17   9.082  10.132  -4.170
  117    MG2  VAL  17           QG2      VAL  17   9.702  12.967  -4.776
  118    QG   VAL  17           QQG      VAL  17   9.392  11.549  -4.473
  119    H    SER  18           H        SER  18   7.551   9.422  -6.379
  120    HA   SER  18           HA       SER  18   5.286   8.169  -5.007
  121   1HB   SER  18          2HB       SER  18   6.190   7.690  -7.847
  122   2HB   SER  18          1HB       SER  18   5.160   6.566  -6.964
  123    HG   SER  18           HG       SER  18   3.904   8.608  -6.582
  124    QB   SER  18           QB       SER  18   5.675   7.128  -7.406
  125    H    CYS  19           H        CYS  19   6.059   6.776  -3.610
  126    HA   CYS  19           HA       CYS  19   8.428   5.240  -4.308
  127   1HB   CYS  19          2HB       CYS  19   6.847   5.449  -1.725
  128   2HB   CYS  19          1HB       CYS  19   8.215   4.370  -1.948
  129    HG   CYS  19           HG       CYS  19  10.136   6.145  -1.786
  130    QB   CYS  19           QB       CYS  19   7.531   4.909  -1.836
  131    H    CYS  20           H        CYS  20   8.132   3.329  -5.244
  132    HA   CYS  20           HA       CYS  20   5.385   2.256  -5.308
  133   1HB   CYS  20          2HB       CYS  20   7.628   1.910  -7.324
  134   2HB   CYS  20          1HB       CYS  20   5.974   1.326  -7.478
  135    HG   CYS  20           HG       CYS  20   7.160   4.003  -8.716
  136    QB   CYS  20           QB       CYS  20   6.801   1.618  -7.401
  137    H    TYR  21           H        TYR  21   5.348   0.520  -3.854
  138    HA   TYR  21           HA       TYR  21   7.885  -0.933  -3.724
  139   1HB   TYR  21          2HB       TYR  21   7.748  -1.133  -1.450
  140   2HB   TYR  21          1HB       TYR  21   7.329   0.535  -1.793
  141    HD1  TYR  21          1HD       TYR  21   5.808  -2.760  -0.791
  142    HD2  TYR  21          2HD       TYR  21   5.571   1.489  -0.801
  143    HE1  TYR  21          1HE       TYR  21   3.985  -2.848   0.868
  144    HE2  TYR  21          2HE       TYR  21   3.802   1.382   0.813
  145    HH   TYR  21           HH       TYR  21   2.088  -0.283   1.616
  146    QB   TYR  21           QB       TYR  21   7.538  -0.299  -1.621
  147    QD   TYR  21           QD       TYR  21   5.690  -0.636  -0.796
  148    QE   TYR  21           QE       TYR  21   3.893  -0.733   0.841
  149    QR   TYR  21           QR       TYR  21   4.792  -0.684   0.022
  150    H    ARG  22           H        ARG  22   7.688  -3.101  -3.051
  151    HA   ARG  22           HA       ARG  22   4.971  -4.185  -3.233
  152   1HB   ARG  22          2HB       ARG  22   5.446  -5.849  -4.783
  153   2HB   ARG  22          1HB       ARG  22   6.689  -4.689  -5.219
  154   1HG   ARG  22          2HG       ARG  22   7.248  -6.905  -3.299
  155   2HG   ARG  22          1HG       ARG  22   7.364  -7.131  -5.038
  156   1HD   ARG  22          2HD       ARG  22   9.080  -5.465  -5.183
  157   2HD   ARG  22          1HD       ARG  22   8.851  -5.024  -3.488
  158    HE   ARG  22           HE       ARG  22   9.820  -7.029  -2.819
  159   1HH1  ARG  22          1HH1      ARG  22   9.809  -6.804  -6.383
  160   2HH1  ARG  22          2HH1      ARG  22  11.140  -7.848  -6.570
  161   1HH2  ARG  22          1HH2      ARG  22  11.632  -8.457  -3.122
  162   2HH2  ARG  22          2HH2      ARG  22  12.189  -8.828  -4.700
  163    QB   ARG  22           QB       ARG  22   6.067  -5.269  -5.001
  164    QG   ARG  22           QG       ARG  22   7.306  -7.018  -4.169
  165    QD   ARG  22           QD       ARG  22   8.965  -5.245  -4.335
  166    QH1  ARG  22           QH1      ARG  22  10.475  -7.326  -6.476
  167    QH2  ARG  22           QH2      ARG  22  11.910  -8.643  -3.911
  168    H    SER  23           H        SER  23   4.754  -6.261  -2.129
  169    HA   SER  23           HA       SER  23   6.875  -6.772  -0.306
  170   1HB   SER  23          2HB       SER  23   4.095  -6.163   0.726
  171   2HB   SER  23          1HB       SER  23   5.432  -6.756   1.701
  172    HG   SER  23           HG       SER  23   6.029  -4.589   0.200
  173    QB   SER  23           QB       SER  23   4.764  -6.459   1.214
  174    H    LEU  24           H        LEU  24   6.297  -8.821   0.943
  175    HA   LEU  24           HA       LEU  24   4.338 -10.435  -0.547
  176   1HB   LEU  24          2HB       LEU  24   6.852 -11.312   0.910
  177   2HB   LEU  24          1HB       LEU  24   5.604 -12.442   0.456
  178    HG   LEU  24           HG       LEU  24   7.429 -12.615  -1.079
  179   1HD1  LEU  24          3HD1      LEU  24   5.247 -12.957  -1.997
  180   2HD1  LEU  24          2HD1      LEU  24   5.115 -11.236  -2.376
  181   3HD1  LEU  24          1HD1      LEU  24   6.316 -12.231  -3.200
  182   1HD2  LEU  24          3HD2      LEU  24   8.421 -10.385  -0.829
  183   2HD2  LEU  24          2HD2      LEU  24   8.156 -10.782  -2.533
  184   3HD2  LEU  24          1HD2      LEU  24   7.056  -9.685  -1.700
  185    MD1  LEU  24           QD1      LEU  24   5.559 -12.141  -2.525
  186    MD2  LEU  24           QD2      LEU  24   7.878 -10.284  -1.687
  187    QB   LEU  24           QB       LEU  24   6.228 -11.877   0.683
  188    QD   LEU  24           QQD      LEU  24   6.719 -11.213  -2.106
  189    H    ALA  25           H        ALA  25   2.624  -9.750   0.609
  190    HA   ALA  25           HA       ALA  25   2.397  -8.996   3.237
  191   1HB   ALA  25          1HB       ALA  25   0.630  -8.733   1.589
  192   2HB   ALA  25          3HB       ALA  25   0.308 -10.465   1.660
  193   3HB   ALA  25          2HB       ALA  25   0.030  -9.460   3.080
  194    MB   ALA  25           QB       ALA  25   0.323  -9.553   2.109
  195    H    ALA  26           H        ALA  26   2.594  -9.972   5.223
  196    HA   ALA  26           HA       ALA  26   3.391 -12.501   5.408
  197   1HB   ALA  26          2HB       ALA  26   4.054 -11.059   7.088
  198   2HB   ALA  26          1HB       ALA  26   2.429 -10.425   7.314
  199   3HB   ALA  26          3HB       ALA  26   2.827 -12.040   7.901
  200    MB   ALA  26           QB       ALA  26   3.103 -11.175   7.434
  201    HA   PRO  27           HA       PRO  27  -0.876 -14.344   5.331
  202   1HB   PRO  27          2HB       PRO  27   0.025 -16.888   5.812
  203   2HB   PRO  27          1HB       PRO  27   0.074 -16.134   4.209
  204   1HG   PRO  27          2HG       PRO  27   2.221 -16.032   6.322
  205   2HG   PRO  27          1HG       PRO  27   2.399 -16.713   4.648
  206   1HD   PRO  27          2HD       PRO  27   3.240 -14.402   5.264
  207   2HD   PRO  27          1HD       PRO  27   2.178 -14.504   3.841
  208    QB   PRO  27           QB       PRO  27   0.049 -16.511   5.010
  209    QG   PRO  27           QG       PRO  27   2.310 -16.372   5.485
  210    QD   PRO  27           QD       PRO  27   2.709 -14.453   4.553
  211    H    ASP  28           H        ASP  28   1.228 -13.818   7.661
  212    HA   ASP  28           HA       ASP  28  -0.009 -15.303   9.839
  213   1HB   ASP  28          2HB       ASP  28   2.464 -15.022   9.746
  214   2HB   ASP  28          1HB       ASP  28   2.245 -13.290   9.968
  215    QB   ASP  28           QB       ASP  28   2.354 -14.156   9.857
  216    H    LEU  29           H        LEU  29  -0.235 -12.262   8.325
  217    HA   LEU  29           HA       LEU  29  -1.053 -10.602  10.463
  218   1HB   LEU  29          2HB       LEU  29  -1.666 -10.405   7.520
  219   2HB   LEU  29          1HB       LEU  29  -1.880  -9.125   8.698
  220    HG   LEU  29           HG       LEU  29   0.749 -10.378   8.062
  221   1HD1  LEU  29          3HD1      LEU  29  -0.233  -9.275   6.067
  222   2HD1  LEU  29          2HD1      LEU  29  -0.385  -7.786   6.980
  223   3HD1  LEU  29          1HD1      LEU  29   1.225  -8.458   6.624
  224   1HD2  LEU  29          2HD2      LEU  29   0.009  -7.835   9.504
  225   2HD2  LEU  29          1HD2      LEU  29   0.689  -9.295  10.216
  226   3HD2  LEU  29          3HD2      LEU  29   1.660  -8.326   9.109
  227    MD1  LEU  29           QD1      LEU  29   0.202  -8.506   6.557
  228    MD2  LEU  29           QD2      LEU  29   0.786  -8.485   9.610
  229    QB   LEU  29           QB       LEU  29  -1.773  -9.765   8.109
  230    QD   LEU  29           QQD      LEU  29   0.494  -8.496   8.083
  231    H    THR  30           H        THR  30  -3.190  -9.758  10.797
  232    HA   THR  30           HA       THR  30  -5.263 -11.742  10.506
  233    HB   THR  30           HB       THR  30  -6.499  -9.984  11.734
  234    HG1  THR  30          1HG       THR  30  -5.033  -8.537  12.943
  235   1HG2  THR  30          1HG2      THR  30  -4.106 -11.258  12.971
  236   2HG2  THR  30          3HG2      THR  30  -5.487 -10.551  13.855
  237   3HG2  THR  30          2HG2      THR  30  -5.762 -11.918  12.756
  238    MG   THR  30           QG2      THR  30  -5.118 -11.242  13.194
  239    H    LEU  31           H        LEU  31  -7.192 -11.250   9.523
  240    HA   LEU  31           HA       LEU  31  -7.304  -9.551   7.236
  241   1HB   LEU  31          2HB       LEU  31  -8.852 -11.450   7.900
  242   2HB   LEU  31          1HB       LEU  31  -9.334 -10.266   9.137
  243    HG   LEU  31           HG       LEU  31 -10.199  -8.770   7.449
  244   1HD1  LEU  31          1HD1      LEU  31  -8.779  -9.367   5.591
  245   2HD1  LEU  31          3HD1      LEU  31  -9.605 -10.930   5.436
  246   3HD1  LEU  31          2HD1      LEU  31 -10.481  -9.408   5.174
  247   1HD2  LEU  31          2HD2      LEU  31 -11.684 -10.322   8.501
  248   2HD2  LEU  31          1HD2      LEU  31 -12.181 -10.050   6.826
  249   3HD2  LEU  31          3HD2      LEU  31 -11.340 -11.542   7.272
  250    MD1  LEU  31           QD1      LEU  31  -9.622  -9.901   5.400
  251    MD2  LEU  31           QD2      LEU  31 -11.735 -10.638   7.533
  252    QB   LEU  31           QB       LEU  31  -9.093 -10.858   8.518
  253    QD   LEU  31           QQD      LEU  31 -10.678 -10.270   6.466
  254    H    ARG  32           H        ARG  32  -7.975  -9.128  10.679
  255    HA   ARG  32           HA       ARG  32  -9.216  -6.640  10.204
  256   1HB   ARG  32          2HB       ARG  32  -9.563  -7.906  12.320
  257   2HB   ARG  32          1HB       ARG  32  -7.921  -7.485  12.797
  258   1HG   ARG  32          2HG       ARG  32  -9.537  -5.970  13.846
  259   2HG   ARG  32          1HG       ARG  32  -8.490  -5.125  12.698
  260   1HD   ARG  32          2HD       ARG  32 -10.891  -4.443  12.502
  261   2HD   ARG  32          1HD       ARG  32 -10.212  -5.087  11.010
  262    HE   ARG  32           HE       ARG  32 -11.521  -7.037  12.633
  263   1HH1  ARG  32          1HH1      ARG  32 -12.125  -4.495  10.199
  264   2HH1  ARG  32          2HH1      ARG  32 -13.434  -5.332   9.496
  265   1HH2  ARG  32          1HH2      ARG  32 -13.337  -8.130  11.594
  266   2HH2  ARG  32          2HH2      ARG  32 -14.130  -7.388  10.284
  267    QB   ARG  32           QB       ARG  32  -8.742  -7.695  12.558
  268    QG   ARG  32           QG       ARG  32  -9.014  -5.547  13.272
  269    QD   ARG  32           QD       ARG  32 -10.551  -4.765  11.756
  270    QH1  ARG  32           QH1      ARG  32 -12.780  -4.913   9.847
  271    QH2  ARG  32           QH2      ARG  32 -13.733  -7.759  10.939
  272    H    ASP  33           H        ASP  33  -5.919  -7.633  10.437
  273    HA   ASP  33           HA       ASP  33  -4.835  -5.079  10.869
  274   1HB   ASP  33          2HB       ASP  33  -3.641  -7.394  10.976
  275   2HB   ASP  33          1HB       ASP  33  -3.474  -7.220   9.234
  276    QB   ASP  33           QB       ASP  33  -3.557  -7.307  10.105
  277    H    LEU  34           H        LEU  34  -5.827  -6.915   7.928
  278    HA   LEU  34           HA       LEU  34  -4.771  -4.849   6.123
  279   1HB   LEU  34          2HB       LEU  34  -6.828  -6.986   5.508
  280   2HB   LEU  34          1HB       LEU  34  -6.156  -5.893   4.330
  281    HG   LEU  34           HG       LEU  34  -5.163  -8.014   4.002
  282   1HD1  LEU  34          2HD1      LEU  34  -3.576  -6.191   3.752
  283   2HD1  LEU  34          1HD1      LEU  34  -3.155  -6.323   5.460
  284   3HD1  LEU  34          3HD1      LEU  34  -2.783  -7.643   4.370
  285   1HD2  LEU  34          3HD2      LEU  34  -5.727  -8.842   6.199
  286   2HD2  LEU  34          2HD2      LEU  34  -4.071  -9.297   5.698
  287   3HD2  LEU  34          1HD2      LEU  34  -4.353  -7.959   6.846
  288    MD1  LEU  34           QD1      LEU  34  -3.172  -6.719   4.527
  289    MD2  LEU  34           QD2      LEU  34  -4.717  -8.699   6.248
  290    QB   LEU  34           QB       LEU  34  -6.492  -6.439   4.919
  291    QD   LEU  34           QQD      LEU  34  -3.944  -7.709   5.388
  292    H    LEU  35           H        LEU  35  -7.737  -5.584   7.553
  293    HA   LEU  35           HA       LEU  35  -9.226  -3.558   6.196
  294   1HB   LEU  35          2HB       LEU  35  -9.783  -5.302   8.580
  295   2HB   LEU  35          1HB       LEU  35 -10.894  -4.040   8.105
  296    HG   LEU  35           HG       LEU  35 -11.370  -6.454   7.346
  297   1HD1  LEU  35          3HD1      LEU  35 -11.302  -4.206   5.310
  298   2HD1  LEU  35          2HD1      LEU  35 -12.308  -5.648   5.200
  299   3HD1  LEU  35          1HD1      LEU  35 -12.579  -4.479   6.495
  300   1HD2  LEU  35          3HD2      LEU  35  -9.063  -6.825   6.501
  301   2HD2  LEU  35          2HD2      LEU  35 -10.292  -7.195   5.271
  302   3HD2  LEU  35          1HD2      LEU  35  -9.374  -5.673   5.235
  303    MD1  LEU  35           QD1      LEU  35 -12.063  -4.778   5.668
  304    MD2  LEU  35           QD2      LEU  35  -9.576  -6.565   5.669
  305    QB   LEU  35           QB       LEU  35 -10.339  -4.671   8.342
  306    QD   LEU  35           QQD      LEU  35 -10.820  -5.671   5.669
  307    H    ASP  36           H        ASP  36  -7.339  -3.647   9.008
  308    HA   ASP  36           HA       ASP  36  -8.148  -0.991   9.901
  309   1HB   ASP  36          2HB       ASP  36  -7.231  -2.683  11.515
  310   2HB   ASP  36          1HB       ASP  36  -5.660  -2.511  10.744
  311    QB   ASP  36           QB       ASP  36  -6.446  -2.597  11.129
  312    H    ILE  37           H        ILE  37  -5.608  -2.373   7.973
  313    HA   ILE  37           HA       ILE  37  -3.921  -0.218   7.511
  314    HB   ILE  37           HB       ILE  37  -4.766  -2.527   5.758
  315   1HG1  ILE  37          2HG1      ILE  37  -2.031  -1.908   6.745
  316   2HG1  ILE  37          1HG1      ILE  37  -3.182  -2.660   7.831
  317   1HG2  ILE  37          1HG2      ILE  37  -2.713  -0.424   5.024
  318   2HG2  ILE  37          3HG2      ILE  37  -2.977  -1.939   4.157
  319   3HG2  ILE  37          2HG2      ILE  37  -4.244  -0.713   4.202
  320   1HD1  ILE  37          1HD1      ILE  37  -2.770  -3.856   5.146
  321   2HD1  ILE  37          3HD1      ILE  37  -1.483  -4.016   6.315
  322   3HD1  ILE  37          2HD1      ILE  37  -3.050  -4.680   6.709
  323    MG   ILE  37           QG2      ILE  37  -3.311  -1.025   4.461
  324    MD   ILE  37           QD1      ILE  37  -2.434  -4.184   6.057
  325    QG   ILE  37           QG1      ILE  37  -2.607  -2.284   7.288
  326    H    VAL  38           H        VAL  38  -6.795  -1.165   5.702
  327    HA   VAL  38           HA       VAL  38  -6.740   1.005   3.976
  328    HB   VAL  38           HB       VAL  38  -8.187  -0.929   3.452
  329   1HG1  VAL  38          3HG1      VAL  38  -9.964  -0.031   5.673
  330   2HG1  VAL  38          2HG1      VAL  38 -10.329  -1.293   4.483
  331   3HG1  VAL  38          1HG1      VAL  38  -8.979  -1.494   5.599
  332   1HG2  VAL  38          2HG2      VAL  38  -9.687   1.675   3.604
  333   2HG2  VAL  38          1HG2      VAL  38  -8.782   1.058   2.232
  334   3HG2  VAL  38          3HG2      VAL  38 -10.275   0.261   2.737
  335    MG1  VAL  38           QG1      VAL  38  -9.758  -0.940   5.252
  336    MG2  VAL  38           QG2      VAL  38  -9.581   0.998   2.858
  337    QG   VAL  38           QQG      VAL  38  -9.669   0.029   4.055
  338    H    GLU  39           H        GLU  39  -8.322   0.768   7.101
  339    HA   GLU  39           HA       GLU  39  -9.651   3.216   7.248
  340   1HB   GLU  39          2HB       GLU  39  -8.203   1.726   9.447
  341   2HB   GLU  39          1HB       GLU  39  -9.400   2.979   9.688
  342   1HG   GLU  39          2HG       GLU  39  -9.999   0.418   8.244
  343   2HG   GLU  39          1HG       GLU  39 -10.150   0.595   9.990
  344    QB   GLU  39           QB       GLU  39  -8.801   2.352   9.568
  345    QG   GLU  39           QG       GLU  39 -10.074   0.507   9.117
  346    H    THR  40           H        THR  40  -6.438   2.355   8.437
  347    HA   THR  40           HA       THR  40  -5.698   4.888   9.338
  348    HB   THR  40           HB       THR  40  -3.892   2.593   8.552
  349    HG1  THR  40          1HG       THR  40  -5.201   1.714  10.102
  350   1HG2  THR  40          1HG2      THR  40  -2.718   4.733   8.974
  351   2HG2  THR  40          3HG2      THR  40  -3.507   4.839  10.551
  352   3HG2  THR  40          2HG2      THR  40  -2.364   3.537  10.217
  353    MG   THR  40           QG2      THR  40  -2.863   4.370   9.914
  354    H    SER  41           H        SER  41  -4.989   3.243   6.261
  355    HA   SER  41           HA       SER  41  -3.063   5.032   5.371
  356   1HB   SER  41          2HB       SER  41  -4.889   3.274   3.742
  357   2HB   SER  41          1HB       SER  41  -3.441   4.085   3.131
  358    HG   SER  41           HG       SER  41  -3.664   2.008   5.016
  359    QB   SER  41           QB       SER  41  -4.165   3.680   3.436
  360    H    GLN  42           H        GLN  42  -6.574   5.106   4.748
  361    HA   GLN  42           HA       GLN  42  -6.551   7.291   2.936
  362   1HB   GLN  42          2HB       GLN  42  -8.621   6.401   4.896
  363   2HB   GLN  42          1HB       GLN  42  -8.906   7.594   3.638
  364   1HG   GLN  42          2HG       GLN  42  -8.703   6.053   1.945
  365   2HG   GLN  42          1HG       GLN  42  -7.814   4.938   2.984
  366   1HE2  GLN  42          1HE2      GLN  42  -9.688   5.177   5.209
  367   2HE2  GLN  42          2HE2      GLN  42 -11.017   4.222   4.622
  368    QB   GLN  42           QB       GLN  42  -8.763   6.997   4.267
  369    QG   GLN  42           QG       GLN  42  -8.258   5.495   2.465
  370    QE   GLN  42           QE2      GLN  42 -10.353   4.699   4.916
  371    H    ALA  43           H        ALA  43  -6.952   7.090   6.387
  372    HA   ALA  43           HA       ALA  43  -7.489   9.796   6.868
  373   1HB   ALA  43          2HB       ALA  43  -7.256   9.187   9.169
  374   2HB   ALA  43          3HB       ALA  43  -6.315   7.746   8.734
  375   3HB   ALA  43          1HB       ALA  43  -8.012   7.854   8.271
  376    MB   ALA  43           QB       ALA  43  -7.195   8.262   8.725
  377    H    HIS  44           H        HIS  44  -4.503   7.997   6.750
  378    HA   HIS  44           HA       HIS  44  -2.928  10.279   7.559
  379   1HB   HIS  44          2HB       HIS  44  -2.346   7.836   8.032
  380   2HB   HIS  44          1HB       HIS  44  -2.076   7.749   6.292
  381    HD1  HIS  44          1HD       HIS  44   0.326   6.905   7.152
  382    HD2  HIS  44          2HD       HIS  44  -0.495  10.938   7.661
  383    HE1  HIS  44          1HE       HIS  44   2.551   8.016   7.492
  384    HE2  HIS  44          2HE       HIS  44   2.024  10.316   8.118
  385    QB   HIS  44           QB       HIS  44  -2.211   7.792   7.162
  386    H    ASN  45           H        ASN  45  -3.822   8.672   4.534
  387    HA   ASN  45           HA       ASN  45  -2.087  10.101   2.827
  388   1HB   ASN  45          2HB       ASN  45  -4.614   8.574   2.355
  389   2HB   ASN  45          1HB       ASN  45  -3.969   9.592   1.069
  390   1HD2  ASN  45          1HD2      ASN  45  -4.262   6.675   1.354
  391   2HD2  ASN  45          2HD2      ASN  45  -2.691   6.048   1.024
  392    QB   ASN  45           QB       ASN  45  -4.292   9.083   1.712
  393    QD   ASN  45           QD2      ASN  45  -3.476   6.361   1.189
  394    H    ALA  46           H        ALA  46  -5.422  10.674   3.790
  395    HA   ALA  46           HA       ALA  46  -5.893  13.004   2.344
  396   1HB   ALA  46          3HB       ALA  46  -7.561  13.522   4.076
  397   2HB   ALA  46          1HB       ALA  46  -6.840  12.297   5.121
  398   3HB   ALA  46          2HB       ALA  46  -7.630  11.812   3.619
  399    MB   ALA  46           QB       ALA  46  -7.343  12.544   4.272
  400    H    ARG  47           H        ARG  47  -4.523  12.488   5.523
  401    HA   ARG  47           HA       ARG  47  -4.002  15.144   6.216
  402   1HB   ARG  47          2HB       ARG  47  -3.904  13.140   7.747
  403   2HB   ARG  47          1HB       ARG  47  -2.400  12.751   6.901
  404   1HG   ARG  47          2HG       ARG  47  -1.889  13.781   9.031
  405   2HG   ARG  47          1HG       ARG  47  -1.364  14.773   7.670
  406   1HD   ARG  47          2HD       ARG  47  -3.328  16.199   7.945
  407   2HD   ARG  47          1HD       ARG  47  -3.874  15.196   9.293
  408    HE   ARG  47           HE       ARG  47  -1.240  16.412   9.434
  409   1HH1  ARG  47          1HH1      ARG  47  -4.589  16.402  10.559
  410   2HH1  ARG  47          2HH1      ARG  47  -4.319  17.392  11.920
  411   1HH2  ARG  47          1HH2      ARG  47  -0.823  17.790  11.357
  412   2HH2  ARG  47          2HH2      ARG  47  -2.114  18.184  12.372
  413    QB   ARG  47           QB       ARG  47  -3.152  12.945   7.324
  414    QG   ARG  47           QG       ARG  47  -1.627  14.277   8.351
  415    QD   ARG  47           QD       ARG  47  -3.601  15.698   8.619
  416    QH1  ARG  47           QH1      ARG  47  -4.454  16.897  11.240
  417    QH2  ARG  47           QH2      ARG  47  -1.468  17.987  11.865
  418    H    ALA  48           H        ALA  48  -1.835  12.735   4.787
  419    HA   ALA  48           HA       ALA  48   0.107  14.733   4.685
  420   1HB   ALA  48          1HB       ALA  48   0.730  12.461   5.178
  421   2HB   ALA  48          2HB       ALA  48   1.613  13.141   3.814
  422   3HB   ALA  48          3HB       ALA  48   0.300  11.974   3.530
  423    MB   ALA  48           QB       ALA  48   0.881  12.525   4.174
  424    H    GLN  49           H        GLN  49  -2.442  14.213   2.688
  425    HA   GLN  49           HA       GLN  49  -3.136  15.221   0.748
  426   1HB   GLN  49          2HB       GLN  49  -0.362  16.412   0.740
  427   2HB   GLN  49          1HB       GLN  49  -1.697  16.984  -0.293
  428   1HG   GLN  49          2HG       GLN  49  -2.658  18.029   1.481
  429   2HG   GLN  49          1HG       GLN  49  -2.071  16.702   2.526
  430   1HE2  GLN  49          1HE2      GLN  49  -0.203  16.819   3.499
  431   2HE2  GLN  49          2HE2      GLN  49   0.885  18.125   3.564
  432    QB   GLN  49           QB       GLN  49  -1.029  16.698   0.223
  433    QG   GLN  49           QG       GLN  49  -2.365  17.365   2.004
  434    QE   GLN  49           QE2      GLN  49   0.341  17.472   3.531
  435    H    LEU  50           H        LEU  50  -1.969  12.749   0.943
  436    HA   LEU  50           HA       LEU  50  -0.543  12.170  -1.518
  437   1HB   LEU  50          2HB       LEU  50  -1.138  10.761   0.991
  438   2HB   LEU  50          1HB       LEU  50  -0.885   9.787  -0.442
  439    HG   LEU  50           HG       LEU  50   1.261  10.663  -0.746
  440   1HD1  LEU  50          3HD1      LEU  50   0.797  12.413   1.637
  441   2HD1  LEU  50          2HD1      LEU  50   2.361  12.169   0.858
  442   3HD1  LEU  50          1HD1      LEU  50   1.036  12.927  -0.025
  443   1HD2  LEU  50          1HD2      LEU  50   0.836   9.842   2.096
  444   2HD2  LEU  50          3HD2      LEU  50   1.131   8.784   0.714
  445   3HD2  LEU  50          2HD2      LEU  50   2.397   9.885   1.291
  446    MD1  LEU  50           QD1      LEU  50   1.398  12.503   0.823
  447    MD2  LEU  50           QD2      LEU  50   1.455   9.504   1.367
  448    QB   LEU  50           QB       LEU  50  -1.012  10.274   0.275
  449    QD   LEU  50           QQD      LEU  50   1.426  11.003   1.095
  450    H    THR  51           H        THR  51  -1.110  10.507  -2.948
  451    HA   THR  51           HA       THR  51  -3.920   9.645  -3.317
  452    HB   THR  51           HB       THR  51  -3.596  10.184  -5.715
  453    HG1  THR  51          1HG       THR  51  -1.623  10.563  -6.229
  454   1HG2  THR  51          1HG2      THR  51  -4.751  11.547  -4.129
  455   2HG2  THR  51          3HG2      THR  51  -3.249  12.452  -3.832
  456   3HG2  THR  51          2HG2      THR  51  -4.015  12.551  -5.441
  457    MG   THR  51           QG2      THR  51  -4.005  12.183  -4.467
  458    H    GLY  52           H        GLY  52  -4.003   7.559  -4.407
  459   1HA   GLY  52          1HA       GLY  52  -2.230   5.862  -3.110
  460   2HA   GLY  52          2HA       GLY  52  -1.570   6.091  -4.721
  461    QA   GLY  52           QA       GLY  52  -1.900   5.976  -3.916
  462    H    ALA  53           H        ALA  53  -1.804   3.793  -4.443
  463    HA   ALA  53           HA       ALA  53  -4.358   2.594  -4.379
  464   1HB   ALA  53          1HB       ALA  53  -4.471   3.354  -6.723
  465   2HB   ALA  53          2HB       ALA  53  -4.389   1.599  -6.642
  466   3HB   ALA  53          3HB       ALA  53  -2.955   2.532  -7.068
  467    MB   ALA  53           QB       ALA  53  -3.938   2.495  -6.811
  468    H    LEU  54           H        LEU  54  -4.158   0.447  -3.810
  469    HA   LEU  54           HA       LEU  54  -1.552  -0.725  -4.308
  470   1HB   LEU  54          2HB       LEU  54  -1.357  -1.729  -2.164
  471   2HB   LEU  54          1HB       LEU  54  -1.711  -0.051  -1.883
  472    HG   LEU  54           HG       LEU  54  -4.136  -0.860  -1.434
  473   1HD1  LEU  54          2HD1      LEU  54  -2.666  -3.486  -1.103
  474   2HD1  LEU  54          1HD1      LEU  54  -4.315  -3.169  -0.576
  475   3HD1  LEU  54          3HD1      LEU  54  -3.914  -3.144  -2.295
  476   1HD2  LEU  54          3HD2      LEU  54  -1.886  -1.569   0.434
  477   2HD2  LEU  54          2HD2      LEU  54  -2.673   0.000   0.288
  478   3HD2  LEU  54          1HD2      LEU  54  -3.576  -1.381   0.900
  479    MD1  LEU  54           QD1      LEU  54  -3.632  -3.266  -1.325
  480    MD2  LEU  54           QD2      LEU  54  -2.712  -0.983   0.541
  481    QB   LEU  54           QB       LEU  54  -1.534  -0.890  -2.023
  482    QD   LEU  54           QQD      LEU  54  -3.172  -2.125  -0.392
  483    H    PHE  55           H        PHE  55  -1.513  -2.878  -4.605
  484    HA   PHE  55           HA       PHE  55  -4.097  -4.146  -5.074
  485   1HB   PHE  55          2HB       PHE  55  -1.569  -4.411  -6.742
  486   2HB   PHE  55          1HB       PHE  55  -3.022  -5.373  -6.965
  487    HD1  PHE  55          1HD       PHE  55  -5.102  -4.312  -7.764
  488    HD2  PHE  55          2HD       PHE  55  -1.418  -2.190  -7.594
  489    HE1  PHE  55          1HE       PHE  55  -6.020  -2.603  -9.278
  490    HE2  PHE  55          2HE       PHE  55  -2.333  -0.477  -9.105
  491    HZ   PHE  55           HZ       PHE  55  -4.635  -0.681  -9.946
  492    QB   PHE  55           QB       PHE  55  -2.295  -4.892  -6.853
  493    QD   PHE  55           QD       PHE  55  -3.260  -3.251  -7.679
  494    QE   PHE  55           QE       PHE  55  -4.176  -1.540  -9.192
  495    QR   PHE  55           QR       PHE  55  -3.902  -2.052  -8.738
  496    H    TYR  56           H        TYR  56  -4.213  -6.187  -4.338
  497    HA   TYR  56           HA       TYR  56  -1.838  -7.345  -3.169
  498   1HB   TYR  56          2HB       TYR  56  -2.955  -6.068  -1.315
  499   2HB   TYR  56          1HB       TYR  56  -4.459  -6.846  -1.718
  500    HD1  TYR  56          1HD       TYR  56  -4.299  -7.119   0.833
  501    HD2  TYR  56          2HD       TYR  56  -1.853  -9.262  -1.888
  502    HE1  TYR  56          1HE       TYR  56  -3.969  -8.890   2.522
  503    HE2  TYR  56          2HE       TYR  56  -1.503 -11.024  -0.216
  504    HH   TYR  56           HH       TYR  56  -1.604 -11.286   2.234
  505    QB   TYR  56           QB       TYR  56  -3.707  -6.457  -1.516
  506    QD   TYR  56           QD       TYR  56  -3.076  -8.191  -0.528
  507    QE   TYR  56           QE       TYR  56  -2.736  -9.957   1.153
  508    QR   TYR  56           QR       TYR  56  -2.906  -9.074   0.313
  509    H    SER  57           H        SER  57  -1.798  -9.145  -4.359
  510    HA   SER  57           HA       SER  57  -4.299 -10.574  -4.728
  511   1HB   SER  57          2HB       SER  57  -3.174 -11.407  -6.883
  512   2HB   SER  57          1HB       SER  57  -3.801  -9.758  -6.856
  513    HG   SER  57           HG       SER  57  -1.151 -10.667  -6.813
  514    QB   SER  57           QB       SER  57  -3.488 -10.582  -6.869
  515    H    GLN  58           H        GLN  58  -4.334 -12.232  -3.497
  516    HA   GLN  58           HA       GLN  58  -3.923 -14.182  -2.514
  517   1HB   GLN  58          2HB       GLN  58  -3.176 -14.882  -4.782
  518   2HB   GLN  58          1HB       GLN  58  -1.539 -14.428  -4.377
  519   1HG   GLN  58          2HG       GLN  58  -1.651 -16.099  -2.513
  520   2HG   GLN  58          1HG       GLN  58  -3.180 -16.645  -3.200
  521   1HE2  GLN  58          1HE2      GLN  58   0.231 -16.592  -3.552
  522   2HE2  GLN  58          2HE2      GLN  58   0.344 -17.655  -4.892
  523    QB   GLN  58           QB       GLN  58  -2.357 -14.655  -4.579
  524    QG   GLN  58           QG       GLN  58  -2.416 -16.372  -2.857
  525    QE   GLN  58           QE2      GLN  58   0.288 -17.124  -4.222
  526    H    GLY  59           H        GLY  59  -0.602 -13.211  -3.130
  527   1HA   GLY  59          1HA       GLY  59   0.826 -13.944  -1.097
  528   2HA   GLY  59          2HA       GLY  59  -0.233 -12.842  -0.232
  529    QA   GLY  59           QA       GLY  59   0.297 -13.393  -0.665
  530    H    VAL  60           H        VAL  60   0.344 -11.637  -3.369
  531    HA   VAL  60           HA       VAL  60   2.774 -10.372  -2.452
  532    HB   VAL  60           HB       VAL  60   3.185  -9.662  -4.752
  533   1HG1  VAL  60          3HG1      VAL  60   4.053 -11.802  -4.085
  534   2HG1  VAL  60          2HG1      VAL  60   2.551 -12.592  -4.568
  535   3HG1  VAL  60          1HG1      VAL  60   3.588 -11.842  -5.780
  536   1HG2  VAL  60          2HG2      VAL  60   0.634 -11.119  -5.469
  537   2HG2  VAL  60          1HG2      VAL  60   0.891  -9.380  -5.555
  538   3HG2  VAL  60          3HG2      VAL  60   1.789 -10.453  -6.632
  539    MG1  VAL  60           QG1      VAL  60   3.397 -12.079  -4.811
  540    MG2  VAL  60           QG2      VAL  60   1.105 -10.317  -5.885
  541    QG   VAL  60           QQG      VAL  60   2.251 -11.198  -5.348
  542    H    PHE  61           H        PHE  61   2.765  -8.470  -1.670
  543    HA   PHE  61           HA       PHE  61   0.446  -6.732  -1.922
  544   1HB   PHE  61          2HB       PHE  61   2.642  -7.148  -0.189
  545   2HB   PHE  61          1HB       PHE  61   2.643  -5.474  -0.726
  546    HD1  PHE  61          1HD       PHE  61   2.253  -6.800   2.003
  547    HD2  PHE  61          2HD       PHE  61  -0.434  -5.241  -0.897
  548    HE1  PHE  61          1HE       PHE  61   0.699  -6.286   3.764
  549    HE2  PHE  61          2HE       PHE  61  -2.027  -4.704   0.877
  550    HZ   PHE  61           HZ       PHE  61  -1.445  -5.194   3.212
  551    QB   PHE  61           QB       PHE  61   2.643  -6.311  -0.458
  552    QD   PHE  61           QD       PHE  61   0.910  -6.021   0.553
  553    QE   PHE  61           QE       PHE  61  -0.664  -5.495   2.320
  554    QR   PHE  61           QR       PHE  61  -0.191  -5.645   1.792
  555    H    PHE  62           H        PHE  62   0.445  -4.954  -3.326
  556    HA   PHE  62           HA       PHE  62   3.016  -3.803  -3.937
  557   1HB   PHE  62          2HB       PHE  62   2.445  -5.062  -5.980
  558   2HB   PHE  62          1HB       PHE  62   0.880  -4.249  -6.053
  559    HD1  PHE  62          1HD       PHE  62   4.533  -3.751  -6.355
  560    HD2  PHE  62          2HD       PHE  62   0.674  -2.069  -7.018
  561    HE1  PHE  62          1HE       PHE  62   5.550  -1.928  -7.662
  562    HE2  PHE  62          2HE       PHE  62   1.692  -0.251  -8.337
  563    HZ   PHE  62           HZ       PHE  62   4.128  -0.186  -8.659
  564    QB   PHE  62           QB       PHE  62   1.662  -4.655  -6.017
  565    QD   PHE  62           QD       PHE  62   2.604  -2.910  -6.687
  566    QE   PHE  62           QE       PHE  62   3.621  -1.090  -7.999
  567    QR   PHE  62           QR       PHE  62   3.316  -1.637  -7.606
  568    H    GLN  63           H        GLN  63   2.985  -1.778  -3.328
  569    HA   GLN  63           HA       GLN  63   0.500  -0.224  -3.435
  570   1HB   GLN  63          2HB       GLN  63   0.505  -0.919  -1.152
  571   2HB   GLN  63          1HB       GLN  63   2.237  -0.726  -1.021
  572   1HG   GLN  63          2HG       GLN  63   1.347   1.078   0.218
  573   2HG   GLN  63          1HG       GLN  63   1.866   1.759  -1.295
  574   1HE2  GLN  63          1HE2      GLN  63   0.332   2.683  -2.670
  575   2HE2  GLN  63          2HE2      GLN  63  -1.298   2.882  -2.178
  576    QB   GLN  63           QB       GLN  63   1.371  -0.823  -1.086
  577    QG   GLN  63           QG       GLN  63   1.606   1.418  -0.538
  578    QE   GLN  63           QE2      GLN  63  -0.483   2.783  -2.424
  579    H    TRP  64           H        TRP  64   0.965   1.678  -4.388
  580    HA   TRP  64           HA       TRP  64   3.547   2.703  -3.688
  581   1HB   TRP  64          2HB       TRP  64   4.109   3.403  -5.842
  582   2HB   TRP  64          1HB       TRP  64   3.428   1.777  -6.107
  583    HD1  TRP  64           HD       TRP  64   3.638   5.109  -7.351
  584    HE1  TRP  64          1HE       TRP  64   1.859   5.632  -9.010
  585    HE3  TRP  64          3HE       TRP  64   0.534   1.202  -6.355
  586    HZ2  TRP  64          2HZ       TRP  64  -0.648   4.546  -9.834
  587    HZ3  TRP  64          3HZ       TRP  64  -1.573   1.044  -7.609
  588    HH2  TRP  64           HH       TRP  64  -2.134   2.669  -9.326
  589    QB   TRP  64           QB       TRP  64   3.768   2.590  -5.975
  590    H    LEU  65           H        LEU  65   3.537   5.065  -3.712
  591    HA   LEU  65           HA       LEU  65   0.844   6.173  -3.573
  592   1HB   LEU  65          2HB       LEU  65   1.463   7.362  -1.492
  593   2HB   LEU  65          1HB       LEU  65   1.267   5.636  -1.310
  594    HG   LEU  65           HG       LEU  65   3.962   6.809  -1.723
  595   1HD1  LEU  65          1HD1      LEU  65   2.404   6.572   0.850
  596   2HD1  LEU  65          3HD1      LEU  65   4.144   6.847   0.790
  597   3HD1  LEU  65          2HD1      LEU  65   3.048   8.057   0.127
  598   1HD2  LEU  65          2HD2      LEU  65   2.991   4.358  -0.237
  599   2HD2  LEU  65          1HD2      LEU  65   3.787   4.377  -1.811
  600   3HD2  LEU  65          3HD2      LEU  65   4.679   4.859  -0.365
  601    MD1  LEU  65           QD1      LEU  65   3.199   7.159   0.589
  602    MD2  LEU  65           QD2      LEU  65   3.819   4.531  -0.804
  603    QB   LEU  65           QB       LEU  65   1.365   6.499  -1.401
  604    QD   LEU  65           QQD      LEU  65   3.509   5.845  -0.108
  605    H    GLU  66           H        GLU  66   0.618   8.228  -4.134
  606    HA   GLU  66           HA       GLU  66   2.971   9.595  -5.202
  607   1HB   GLU  66          2HB       GLU  66   0.054  10.282  -5.465
  608   2HB   GLU  66          1HB       GLU  66   1.389  10.947  -6.367
  609   1HG   GLU  66          2HG       GLU  66   1.634   8.787  -7.524
  610   2HG   GLU  66          1HG       GLU  66   0.220   8.188  -6.638
  611    QB   GLU  66           QB       GLU  66   0.721  10.615  -5.916
  612    QG   GLU  66           QG       GLU  66   0.927   8.488  -7.081
  613    H    GLY  67           H        GLY  67   3.688  11.228  -3.866
  614   1HA   GLY  67          1HA       GLY  67   2.633  11.947  -1.460
  615   2HA   GLY  67          2HA       GLY  67   1.805  12.955  -2.654
  616    QA   GLY  67           QA       GLY  67   2.219  12.451  -2.057
  617    H    HIS  68           H        HIS  68   3.171  14.535  -1.106
  618    HA   HIS  68           HA       HIS  68   5.470  15.472  -2.545
  619   1HB   HIS  68          2HB       HIS  68   4.159  17.109  -1.381
  620   2HB   HIS  68          1HB       HIS  68   4.253  16.269   0.133
  621    HD1  HIS  68          1HD       HIS  68   6.264  16.673   1.606
  622    HD2  HIS  68          2HD       HIS  68   6.197  18.484  -2.034
  623    HE1  HIS  68          1HE       HIS  68   8.198  18.150   1.741
  624    HE2  HIS  68          2HE       HIS  68   8.028  19.571  -0.363
  625    QB   HIS  68           QB       HIS  68   4.206  16.689  -0.624
  626    HA   PRO  69           HA       PRO  69   8.664  12.570  -1.413
  627   1HB   PRO  69          2HB       PRO  69  10.463  14.597  -0.473
  628   2HB   PRO  69          1HB       PRO  69  10.531  13.675  -1.973
  629   1HG   PRO  69          2HG       PRO  69   9.430  16.369  -1.471
  630   2HG   PRO  69          1HG       PRO  69  10.011  15.659  -2.987
  631   1HD   PRO  69          2HD       PRO  69   7.425  16.120  -2.566
  632   2HD   PRO  69          1HD       PRO  69   7.938  14.658  -3.426
  633    QB   PRO  69           QB       PRO  69  10.497  14.136  -1.223
  634    QG   PRO  69           QG       PRO  69   9.720  16.014  -2.229
  635    QD   PRO  69           QD       PRO  69   7.681  15.389  -2.996
  636    H    ALA  70           H        ALA  70   8.674  15.137   1.055
  637    HA   ALA  70           HA       ALA  70   9.568  13.251   2.961
  638   1HB   ALA  70          3HB       ALA  70  10.190  15.528   3.238
  639   2HB   ALA  70          1HB       ALA  70   9.219  14.980   4.609
  640   3HB   ALA  70          2HB       ALA  70   8.480  16.002   3.336
  641    MB   ALA  70           QB       ALA  70   9.297  15.503   3.728
  642    H    ALA  71           H        ALA  71   6.484  14.160   2.038
  643    HA   ALA  71           HA       ALA  71   5.124  13.233   4.315
  644   1HB   ALA  71          2HB       ALA  71   4.390  13.252   1.460
  645   2HB   ALA  71          1HB       ALA  71   3.215  13.012   2.746
  646   3HB   ALA  71          3HB       ALA  71   4.063  14.588   2.593
  647    MB   ALA  71           QB       ALA  71   3.889  13.618   2.266
  648    H    VAL  72           H        VAL  72   6.080  11.958   1.251
  649    HA   VAL  72           HA       VAL  72   5.083   9.315   1.388
  650    HB   VAL  72           HB       VAL  72   7.688   9.862   0.042
  651   1HG1  VAL  72          3HG1      VAL  72   6.622   7.731  -0.183
  652   2HG1  VAL  72          2HG1      VAL  72   5.192   8.586  -0.812
  653   3HG1  VAL  72          1HG1      VAL  72   6.718   8.614  -1.742
  654   1HG2  VAL  72          2HG2      VAL  72   5.113  11.028  -0.920
  655   2HG2  VAL  72          1HG2      VAL  72   6.595  11.875  -0.405
  656   3HG2  VAL  72          3HG2      VAL  72   6.604  10.896  -1.876
  657    MG1  VAL  72           QG1      VAL  72   6.177   8.310  -0.912
  658    MG2  VAL  72           QG2      VAL  72   6.104  11.266  -1.067
  659    QG   VAL  72           QQG      VAL  72   6.141   9.788  -0.990
  660    H    ALA  73           H        ALA  73   8.120  10.826   2.315
  661    HA   ALA  73           HA       ALA  73   9.310   8.430   3.172
  662   1HB   ALA  73          1HB       ALA  73  10.012  11.214   3.951
  663   2HB   ALA  73          3HB       ALA  73  10.896   9.689   4.253
  664   3HB   ALA  73          2HB       ALA  73  10.664  10.239   2.572
  665    MB   ALA  73           QB       ALA  73  10.524  10.381   3.592
  666    H    GLU  74           H        GLU  74   7.534  10.912   4.904
  667    HA   GLU  74           HA       GLU  74   7.894   9.854   7.517
  668   1HB   GLU  74          2HB       GLU  74   6.843  12.114   6.846
  669   2HB   GLU  74          1HB       GLU  74   5.391  11.218   6.454
  670   1HG   GLU  74          2HG       GLU  74   6.605  11.188   9.203
  671   2HG   GLU  74          1HG       GLU  74   5.484  12.431   8.701
  672    QB   GLU  74           QB       GLU  74   6.117  11.666   6.650
  673    QG   GLU  74           QG       GLU  74   6.045  11.809   8.952
  674    H    VAL  75           H        VAL  75   5.533   9.272   5.006
  675    HA   VAL  75           HA       VAL  75   4.197   7.156   6.184
  676    HB   VAL  75           HB       VAL  75   4.749   7.810   3.280
  677   1HG1  VAL  75          1HG1      VAL  75   4.437   5.436   3.514
  678   2HG1  VAL  75          3HG1      VAL  75   2.891   5.689   4.350
  679   3HG1  VAL  75          2HG1      VAL  75   3.103   6.209   2.661
  680   1HG2  VAL  75          2HG2      VAL  75   3.311   9.367   4.466
  681   2HG2  VAL  75          1HG2      VAL  75   2.390   8.455   3.270
  682   3HG2  VAL  75          3HG2      VAL  75   2.272   8.035   4.977
  683    MG1  VAL  75           QG1      VAL  75   3.477   5.778   3.508
  684    MG2  VAL  75           QG2      VAL  75   2.657   8.619   4.238
  685    QG   VAL  75           QQG      VAL  75   3.067   7.198   3.873
  686    H    MET  76           H        MET  76   7.099   7.011   3.944
  687    HA   MET  76           HA       MET  76   7.644   4.372   4.117
  688   1HB   MET  76          2HB       MET  76   9.622   6.651   4.119
  689   2HB   MET  76          1HB       MET  76  10.020   4.993   3.793
  690   1HG   MET  76          2HG       MET  76   7.990   6.352   2.227
  691   2HG   MET  76          1HG       MET  76   9.691   6.638   1.801
  692   1HE   MET  76          3HE       MET  76   6.628   4.598   1.930
  693   2HE   MET  76          2HE       MET  76   6.916   3.094   1.025
  694   3HE   MET  76          1HE       MET  76   7.530   3.289   2.682
  695    QB   MET  76           QB       MET  76   9.821   5.822   3.956
  696    QG   MET  76           QG       MET  76   8.840   6.495   2.014
  697    ME   MET  76           QE       MET  76   7.025   3.660   1.879
  698    H    SER  77           H        SER  77   8.750   6.851   6.395
  699    HA   SER  77           HA       SER  77  10.197   5.183   8.090
  700   1HB   SER  77          2HB       SER  77   8.561   7.606   8.862
  701   2HB   SER  77          1HB       SER  77   9.903   6.922   9.784
  702    HG   SER  77           HG       SER  77  10.003   8.124   7.206
  703    QB   SER  77           QB       SER  77   9.232   7.264   9.323
  704    H    HIS  78           H        HIS  78   6.750   5.946   8.233
  705    HA   HIS  78           HA       HIS  78   6.335   4.151  10.403
  706   1HB   HIS  78          2HB       HIS  78   4.516   5.610   8.558
  707   2HB   HIS  78          1HB       HIS  78   3.862   4.174   9.334
  708    HD1  HIS  78          1HD       HIS  78   4.311   7.796   9.956
  709    HD2  HIS  78          2HD       HIS  78   4.115   4.314  12.268
  710    HE1  HIS  78          1HE       HIS  78   3.753   8.519  12.225
  711    HE2  HIS  78          2HE       HIS  78   3.414   6.417  13.549
  712    QB   HIS  78           QB       HIS  78   4.189   4.892   8.946
  713    H    ILE  79           H        ILE  79   5.878   3.766   6.961
  714    HA   ILE  79           HA       ILE  79   4.854   1.197   6.930
  715    HB   ILE  79           HB       ILE  79   6.008   3.078   5.015
  716   1HG1  ILE  79          2HG1      ILE  79   3.511   1.403   5.047
  717   2HG1  ILE  79          1HG1      ILE  79   3.667   3.122   5.387
  718   1HG2  ILE  79          3HG2      ILE  79   6.093   0.212   4.436
  719   2HG2  ILE  79          2HG2      ILE  79   5.844   1.378   3.124
  720   3HG2  ILE  79          1HG2      ILE  79   7.293   1.443   4.150
  721   1HD1  ILE  79          2HD1      ILE  79   4.342   3.464   3.043
  722   2HD1  ILE  79          1HD1      ILE  79   4.056   1.753   2.754
  723   3HD1  ILE  79          3HD1      ILE  79   2.705   2.807   3.203
  724    MG   ILE  79           QG2      ILE  79   6.410   1.011   3.903
  725    MD   ILE  79           QD1      ILE  79   3.701   2.675   3.000
  726    QG   ILE  79           QG1      ILE  79   3.589   2.263   5.217
  727    H    GLN  80           H        GLN  80   8.266   2.091   6.371
  728    HA   GLN  80           HA       GLN  80   9.264  -0.451   6.104
  729   1HB   GLN  80          2HB       GLN  80  10.520   2.117   7.019
  730   2HB   GLN  80          1HB       GLN  80  11.414   0.671   6.549
  731   1HG   GLN  80          2HG       GLN  80   9.545   2.212   4.678
  732   2HG   GLN  80          1HG       GLN  80  11.256   2.277   4.664
  733   1HE2  GLN  80          1HE2      GLN  80   8.638   0.268   4.113
  734   2HE2  GLN  80          2HE2      GLN  80   9.594  -0.845   3.186
  735    QB   GLN  80           QB       GLN  80  10.967   1.394   6.784
  736    QG   GLN  80           QG       GLN  80  10.400   2.244   4.671
  737    QE   GLN  80           QE2      GLN  80   9.116  -0.288   3.650
  738    H    ARG  81           H        ARG  81   8.201   1.170   8.921
  739    HA   ARG  81           HA       ARG  81   9.600  -0.779  10.600
  740   1HB   ARG  81          2HB       ARG  81   8.455   1.927  11.270
  741   2HB   ARG  81          1HB       ARG  81   9.294   0.841  12.380
  742   1HG   ARG  81          2HG       ARG  81  11.300   1.032  11.218
  743   2HG   ARG  81          1HG       ARG  81  10.551   1.919   9.892
  744   1HD   ARG  81          2HD       ARG  81  10.018   3.717  11.525
  745   2HD   ARG  81          1HD       ARG  81  10.949   2.826  12.737
  746    HE   ARG  81           HE       ARG  81  12.457   3.170  10.401
  747   1HH1  ARG  81          1HH1      ARG  81  11.226   5.075  13.120
  748   2HH1  ARG  81          2HH1      ARG  81  12.544   6.148  13.142
  749   1HH2  ARG  81          1HH2      ARG  81  14.256   4.665  10.425
  750   2HH2  ARG  81          2HH2      ARG  81  14.288   5.912  11.571
  751    QB   ARG  81           QB       ARG  81   8.874   1.384  11.825
  752    QG   ARG  81           QG       ARG  81  10.926   1.476  10.555
  753    QD   ARG  81           QD       ARG  81  10.484   3.272  12.131
  754    QH1  ARG  81           QH1      ARG  81  11.885   5.612  13.131
  755    QH2  ARG  81           QH2      ARG  81  14.272   5.289  10.998
  756    H    ASP  82           H        ASP  82   7.023  -1.152   9.079
  757    HA   ASP  82           HA       ASP  82   5.028  -1.120  11.162
  758   1HB   ASP  82          2HB       ASP  82   4.817  -2.114   8.333
  759   2HB   ASP  82          1HB       ASP  82   3.545  -2.387   9.492
  760    QB   ASP  82           QB       ASP  82   4.181  -2.251   8.913
  761    H    ARG  83           H        ARG  83   5.017  -3.843   9.063
  762    HA   ARG  83           HA       ARG  83   5.627  -6.110  10.298
  763   1HB   ARG  83          2HB       ARG  83   3.672  -6.659  11.876
  764   2HB   ARG  83          1HB       ARG  83   4.817  -5.495  12.526
  765   1HG   ARG  83          2HG       ARG  83   3.299  -3.665  12.055
  766   2HG   ARG  83          1HG       ARG  83   2.205  -4.743  11.206
  767   1HD   ARG  83          2HD       ARG  83   1.392  -5.665  13.157
  768   2HD   ARG  83          1HD       ARG  83   2.871  -5.284  14.051
  769    HE   ARG  83           HE       ARG  83   2.169  -3.133  14.357
  770   1HH1  ARG  83          1HH1      ARG  83  -0.445  -4.806  12.466
  771   2HH1  ARG  83          2HH1      ARG  83  -1.580  -3.663  12.909
  772   1HH2  ARG  83          1HH2      ARG  83   0.536  -1.621  14.871
  773   2HH2  ARG  83          2HH2      ARG  83  -1.064  -1.824  14.316
  774    QB   ARG  83           QB       ARG  83   4.245  -6.077  12.201
  775    QG   ARG  83           QG       ARG  83   2.752  -4.204  11.630
  776    QD   ARG  83           QD       ARG  83   2.131  -5.475  13.604
  777    QH1  ARG  83           QH1      ARG  83  -1.013  -4.235  12.687
  778    QH2  ARG  83           QH2      ARG  83  -0.264  -1.722  14.593
  779    H    ARG  84           H        ARG  84   3.067  -4.148   9.187
  780    HA   ARG  84           HA       ARG  84   1.054  -6.065   8.565
  781   1HB   ARG  84          2HB       ARG  84   1.395  -3.291   7.531
  782   2HB   ARG  84          1HB       ARG  84  -0.074  -4.246   7.604
  783   1HG   ARG  84          2HG       ARG  84  -0.012  -4.146  10.041
  784   2HG   ARG  84          1HG       ARG  84   1.456  -3.154   9.949
  785   1HD   ARG  84          2HD       ARG  84   0.300  -1.476   8.705
  786   2HD   ARG  84          1HD       ARG  84  -1.139  -2.483   8.621
  787    HE   ARG  84           HE       ARG  84  -0.094  -1.062  10.925
  788   1HH1  ARG  84          1HH1      ARG  84  -2.526  -3.352   9.813
  789   2HH1  ARG  84          2HH1      ARG  84  -3.840  -2.620  10.605
  790   1HH2  ARG  84          1HH2      ARG  84  -1.959  -0.040  12.099
  791   2HH2  ARG  84          2HH2      ARG  84  -3.527  -0.683  11.883
  792    QB   ARG  84           QB       ARG  84   0.660  -3.769   7.567
  793    QG   ARG  84           QG       ARG  84   0.722  -3.650   9.995
  794    QD   ARG  84           QD       ARG  84  -0.419  -1.979   8.663
  795    QH1  ARG  84           QH1      ARG  84  -3.183  -2.986  10.209
  796    QH2  ARG  84           QH2      ARG  84  -2.743  -0.362  11.991
  797    H    HIS  85           H        HIS  85   3.742  -6.235   7.119
  798    HA   HIS  85           HA       HIS  85   3.060  -7.083   4.650
  799   1HB   HIS  85          2HB       HIS  85   4.224  -5.215   3.243
  800   2HB   HIS  85          1HB       HIS  85   2.553  -4.983   3.688
  801    HD1  HIS  85          1HD       HIS  85   3.438  -2.397   3.015
  802    HD2  HIS  85          2HD       HIS  85   4.664  -3.952   6.658
  803    HE1  HIS  85          1HE       HIS  85   4.339  -0.533   4.310
  804    HE2  HIS  85          2HE       HIS  85   4.376  -1.404   6.607
  805    QB   HIS  85           QB       HIS  85   3.389  -5.099   3.466
  806    H    SER  86           H        SER  86   4.445  -8.431   4.339
  807    HA   SER  86           HA       SER  86   6.342  -8.884   6.129
  808   1HB   SER  86          2HB       SER  86   5.463  -9.947   3.812
  809   2HB   SER  86          1HB       SER  86   7.040 -10.695   4.255
  810    HG   SER  86           HG       SER  86   5.817 -11.777   5.587
  811    QB   SER  86           QB       SER  86   6.252 -10.321   4.034
  812    H    ASN  87           H        ASN  87   6.949  -7.137   3.443
  813    HA   ASN  87           HA       ASN  87   9.757  -7.122   4.178
  814   1HB   ASN  87          2HB       ASN  87   9.057  -7.388   1.259
  815   2HB   ASN  87          1HB       ASN  87  10.665  -7.095   1.881
  816   1HD2  ASN  87          1HD2      ASN  87   9.844  -9.130   0.130
  817   2HD2  ASN  87          2HD2      ASN  87  10.140 -10.644   0.931
  818    QB   ASN  87           QB       ASN  87   9.861  -7.242   1.570
  819    QD   ASN  87           QD2      ASN  87   9.992  -9.887   0.531
  820    H    VAL  88           H        VAL  88   7.413  -5.614   2.562
  821    HA   VAL  88           HA       VAL  88   7.430  -3.937   1.284
  822    HB   VAL  88           HB       VAL  88   6.274  -3.296   3.108
  823   1HG1  VAL  88          1HG1      VAL  88   7.791  -3.624   4.782
  824   2HG1  VAL  88          3HG1      VAL  88   8.594  -2.019   4.446
  825   3HG1  VAL  88          2HG1      VAL  88   6.848  -2.091   4.853
  826   1HG2  VAL  88          2HG2      VAL  88   6.707  -1.574   1.340
  827   2HG2  VAL  88          1HG2      VAL  88   6.177  -0.948   2.912
  828   3HG2  VAL  88          3HG2      VAL  88   7.861  -0.853   2.469
  829    MG1  VAL  88           QG1      VAL  88   7.744  -2.578   4.694
  830    MG2  VAL  88           QG2      VAL  88   6.915  -1.125   2.240
  831    QG   VAL  88           QQG      VAL  88   7.330  -1.851   3.467
  832    H    GLU  89           H        GLU  89   8.908  -4.569   0.076
  833    HA   GLU  89           HA       GLU  89  11.411  -3.162  -0.006
  834   1HB   GLU  89          2HB       GLU  89  10.056  -5.147  -1.793
  835   2HB   GLU  89          1HB       GLU  89  11.674  -4.539  -2.090
  836   1HG   GLU  89          2HG       GLU  89  12.558  -5.627  -0.306
  837   2HG   GLU  89          1HG       GLU  89  10.984  -5.715   0.479
  838    QB   GLU  89           QB       GLU  89  10.865  -4.843  -1.942
  839    QG   GLU  89           QG       GLU  89  11.771  -5.671   0.086
  840    H    ILE  90           H        ILE  90  10.481  -1.164  -0.133
  841    HA   ILE  90           HA       ILE  90   9.030   0.081  -2.172
  842    HB   ILE  90           HB       ILE  90  11.655   1.220  -1.381
  843   1HG1  ILE  90          2HG1      ILE  90  10.944   0.310   0.729
  844   2HG1  ILE  90          1HG1      ILE  90  10.762   2.048   0.778
  845   1HG2  ILE  90          1HG2      ILE  90   8.871   2.390  -1.591
  846   2HG2  ILE  90          3HG2      ILE  90  10.253   3.309  -1.074
  847   3HG2  ILE  90          2HG2      ILE  90  10.199   2.698  -2.731
  848   1HD1  ILE  90          1HD1      ILE  90   8.402   1.808   0.315
  849   2HD1  ILE  90          3HD1      ILE  90   8.589   0.054   0.314
  850   3HD1  ILE  90          2HD1      ILE  90   8.882   0.968   1.803
  851    MG   ILE  90           QG2      ILE  90   9.774   2.799  -1.799
  852    MD   ILE  90           QD1      ILE  90   8.624   0.943   0.811
  853    QG   ILE  90           QG1      ILE  90  10.853   1.179   0.754
  854    H    LEU  91           H        LEU  91  12.377   0.004  -2.289
  855    HA   LEU  91           HA       LEU  91  13.912  -0.428  -3.873
  856   1HB   LEU  91          2HB       LEU  91  11.738  -2.094  -5.119
  857   2HB   LEU  91          1HB       LEU  91  13.411  -2.108  -5.630
  858    HG   LEU  91           HG       LEU  91  12.399  -3.009  -2.907
  859   1HD1  LEU  91          1HD1      LEU  91  13.431  -4.560  -5.276
  860   2HD1  LEU  91          3HD1      LEU  91  13.030  -5.231  -3.697
  861   3HD1  LEU  91          2HD1      LEU  91  11.766  -4.521  -4.704
  862   1HD2  LEU  91          1HD2      LEU  91  15.166  -3.085  -4.126
  863   2HD2  LEU  91          3HD2      LEU  91  14.652  -2.083  -2.764
  864   3HD2  LEU  91          2HD2      LEU  91  14.681  -3.837  -2.608
  865    MD1  LEU  91           QD1      LEU  91  12.742  -4.771  -4.559
  866    MD2  LEU  91           QD2      LEU  91  14.833  -3.002  -3.166
  867    QB   LEU  91           QB       LEU  91  12.574  -2.101  -5.375
  868    QD   LEU  91           QQD      LEU  91  13.788  -3.886  -3.862
  869    H    ALA  92           H        ALA  92  10.962   1.032  -4.817
  870    HA   ALA  92           HA       ALA  92  12.343   2.359  -7.053
  871   1HB   ALA  92          2HB       ALA  92  10.820   0.833  -8.103
  872   2HB   ALA  92          3HB       ALA  92  10.120   2.464  -8.171
  873   3HB   ALA  92          1HB       ALA  92   9.531   1.319  -6.978
  874    MB   ALA  92           QB       ALA  92  10.157   1.539  -7.751
  875    H    GLU  93           H        GLU  93  12.492   4.413  -6.602
  876    HA   GLU  93           HA       GLU  93  10.247   5.779  -5.329
  877   1HB   GLU  93          2HB       GLU  93  13.167   6.251  -4.577
  878   2HB   GLU  93          1HB       GLU  93  11.719   6.981  -3.877
  879   1HG   GLU  93          2HG       GLU  93  11.027   5.070  -2.894
  880   2HG   GLU  93          1HG       GLU  93  12.220   4.080  -3.752
  881    QB   GLU  93           QB       GLU  93  12.443   6.616  -4.227
  882    QG   GLU  93           QG       GLU  93  11.623   4.575  -3.323
  883    H    GLU  94           H        GLU  94   9.642   7.141  -6.827
  884    HA   GLU  94           HA       GLU  94  11.694   8.463  -8.464
  885   1HB   GLU  94          2HB       GLU  94  10.069   8.277 -10.366
  886   2HB   GLU  94          1HB       GLU  94  10.765   6.753  -9.824
  887   1HG   GLU  94          2HG       GLU  94   8.723   6.307  -8.526
  888   2HG   GLU  94          1HG       GLU  94   8.016   7.794  -9.161
  889    QB   GLU  94           QB       GLU  94  10.417   7.515 -10.095
  890    QG   GLU  94           QG       GLU  94   8.370   7.051  -8.843
  891    H    SER  95           H        SER  95  11.295  10.580  -9.051
  892    HA   SER  95           HA       SER  95   9.404  12.054  -7.444
  893   1HB   SER  95          2HB       SER  95  11.240  12.990  -9.655
  894   2HB   SER  95          1HB       SER  95  10.432  13.995  -8.442
  895    HG   SER  95           HG       SER  95  12.575  12.228  -8.180
  896    QB   SER  95           QB       SER  95  10.836  13.492  -9.048
  897    H    ILE  96           H        ILE  96   7.499  12.765  -8.041
  898    HA   ILE  96           HA       ILE  96   6.655  12.293 -10.856
  899    HB   ILE  96           HB       ILE  96   4.504  11.736 -10.111
  900   1HG1  ILE  96          2HG1      ILE  96   5.613  11.154  -7.404
  901   2HG1  ILE  96          1HG1      ILE  96   5.003  12.760  -7.764
  902   1HG2  ILE  96          2HG2      ILE  96   6.091  10.026 -10.791
  903   2HG2  ILE  96          1HG2      ILE  96   6.720   9.914  -9.151
  904   3HG2  ILE  96          3HG2      ILE  96   5.067   9.383  -9.496
  905   1HD1  ILE  96          1HD1      ILE  96   3.412  10.245  -8.023
  906   2HD1  ILE  96          3HD1      ILE  96   3.466  11.300  -6.614
  907   3HD1  ILE  96          2HD1      ILE  96   2.860  11.941  -8.122
  908    MG   ILE  96           QG2      ILE  96   5.959   9.775  -9.813
  909    MD   ILE  96           QD1      ILE  96   3.246  11.162  -7.586
  910    QG   ILE  96           QG1      ILE  96   5.308  11.957  -7.584
  911    H    ALA  97           H        ALA  97   4.446  13.178 -11.291
  912    HA   ALA  97           HA       ALA  97   4.292  15.889 -10.220
  913   1HB   ALA  97          2HB       ALA  97   4.581  15.724 -12.639
  914   2HB   ALA  97          3HB       ALA  97   2.995  16.428 -12.155
  915   3HB   ALA  97          1HB       ALA  97   3.086  14.743 -12.653
  916    MB   ALA  97           QB       ALA  97   3.554  15.632 -12.482
  917    H    LYS  98           H        LYS  98   3.165  13.160  -9.786
  918    HA   LYS  98           HA       LYS  98   1.282  12.102  -8.999
  919   1HB   LYS  98          2HB       LYS  98   2.125  13.794  -7.461
  920   2HB   LYS  98          1HB       LYS  98   0.829  14.827  -8.001
  921   1HG   LYS  98          2HG       LYS  98  -0.115  12.256  -7.265
  922   2HG   LYS  98          1HG       LYS  98   0.982  12.946  -6.107
  923   1HD   LYS  98          2HD       LYS  98  -0.825  14.970  -6.860
  924   2HD   LYS  98          1HD       LYS  98  -1.682  13.563  -6.175
  925   1HE   LYS  98          2HE       LYS  98  -0.055  13.456  -4.503
  926   2HE   LYS  98          1HE       LYS  98   0.683  14.941  -5.132
  927   1HZ   LYS  98          2HZ       LYS  98  -2.170  14.880  -4.213
  928   2HZ   LYS  98          1HZ       LYS  98  -0.944  15.299  -3.151
  929   3HZ   LYS  98          3HZ       LYS  98  -1.218  16.229  -4.522
  930    QB   LYS  98           QB       LYS  98   1.477  14.311  -7.731
  931    QD   LYS  98           QD       LYS  98  -1.253  14.266  -6.517
  932    QG   LYS  98           QG       LYS  98   0.433  12.601  -6.686
  933    QE   LYS  98           QE       LYS  98   0.314  14.199  -4.818
  934    QZ   LYS  98           QZ       LYS  98  -1.444  15.469  -3.962
  935    H    ARG  99           H        ARG  99  -1.138  12.966  -8.527
  936    HA   ARG  99           HA       ARG  99  -3.178  13.625  -9.280
  937   1HB   ARG  99          2HB       ARG  99  -1.660  14.843 -11.602
  938   2HB   ARG  99          1HB       ARG  99  -3.394  15.064 -11.344
  939   1HG   ARG  99          2HG       ARG  99  -1.139  16.018  -9.580
  940   2HG   ARG  99          1HG       ARG  99  -2.128  17.012 -10.644
  941   1HD   ARG  99          2HD       ARG  99  -4.106  16.438  -9.307
  942   2HD   ARG  99          1HD       ARG  99  -3.092  15.474  -8.232
  943    HE   ARG  99           HE       ARG  99  -2.102  18.106  -8.461
  944   1HH1  ARG  99          1HH1      ARG  99  -4.666  16.280  -6.860
  945   2HH1  ARG  99          2HH1      ARG  99  -4.851  17.394  -5.585
  946   1HH2  ARG  99          1HH2      ARG  99  -2.364  19.611  -6.690
  947   2HH2  ARG  99          2HH2      ARG  99  -3.531  19.302  -5.492
  948    QB   ARG  99           QB       ARG  99  -2.527  14.953 -11.473
  949    QG   ARG  99           QG       ARG  99  -1.634  16.515 -10.112
  950    QD   ARG  99           QD       ARG  99  -3.599  15.956  -8.770
  951    QH1  ARG  99           QH1      ARG  99  -4.759  16.837  -6.223
  952    QH2  ARG  99           QH2      ARG  99  -2.947  19.456  -6.091
  953    H    ARG 100           H        ARG 100  -1.859  11.151  -9.793
  954    HA   ARG 100           HA       ARG 100  -3.234  10.352 -12.231
  955   1HB   ARG 100          2HB       ARG 100  -1.246   8.890 -10.526
  956   2HB   ARG 100          1HB       ARG 100  -1.892   8.329 -12.065
  957   1HG   ARG 100          2HG       ARG 100  -0.855  10.230 -13.183
  958   2HG   ARG 100          1HG       ARG 100  -0.241  10.780 -11.613
  959   1HD   ARG 100          2HD       ARG 100   1.504   9.540 -12.848
  960   2HD   ARG 100          1HD       ARG 100   1.007   8.653 -11.404
  961    HE   ARG 100           HE       ARG 100  -0.205   8.038 -13.994
  962   1HH1  ARG 100          1HH1      ARG 100   1.837   6.975 -11.294
  963   2HH1  ARG 100          2HH1      ARG 100   1.830   5.340 -11.767
  964   1HH2  ARG 100          1HH2      ARG 100  -0.152   5.787 -14.646
  965   2HH2  ARG 100          2HH2      ARG 100   0.697   4.641 -13.720
  966    QB   ARG 100           QB       ARG 100  -1.569   8.610 -11.295
  967    QG   ARG 100           QG       ARG 100  -0.548  10.505 -12.398
  968    QD   ARG 100           QD       ARG 100   1.256   9.097 -12.126
  969    QH1  ARG 100           QH1      ARG 100   1.833   6.157 -11.530
  970    QH2  ARG 100           QH2      ARG 100   0.272   5.214 -14.183
  971    H    PHE 101           H        PHE 101  -2.768   9.323  -8.828
  972    HA   PHE 101           HA       PHE 101  -5.368   8.054  -9.090
  973   1HB   PHE 101          2HB       PHE 101  -2.960   7.044  -7.567
  974   2HB   PHE 101          1HB       PHE 101  -4.575   6.394  -7.329
  975    HD1  PHE 101          1HD       PHE 101  -5.321   4.638  -8.667
  976    HD2  PHE 101          2HD       PHE 101  -2.042   6.987 -10.011
  977    HE1  PHE 101          1HE       PHE 101  -5.001   3.109 -10.551
  978    HE2  PHE 101          2HE       PHE 101  -1.724   5.461 -11.909
  979    HZ   PHE 101           HZ       PHE 101  -3.206   3.518 -12.185
  980    QB   PHE 101           QB       PHE 101  -3.768   6.719  -7.448
  981    QD   PHE 101           QD       PHE 101  -3.682   5.813  -9.339
  982    QE   PHE 101           QE       PHE 101  -3.362   4.285 -11.230
  983    QR   PHE 101           QR       PHE 101  -3.459   4.742 -10.665
  984    H    ALA 102           H        ALA 102  -5.983  10.089  -8.558
  985    HA   ALA 102           HA       ALA 102  -5.563  11.811  -6.492
  986   1HB   ALA 102          2HB       ALA 102  -6.846  12.296  -8.502
  987   2HB   ALA 102          3HB       ALA 102  -7.678  12.808  -7.032
  988   3HB   ALA 102          1HB       ALA 102  -8.186  11.343  -7.869
  989    MB   ALA 102           QB       ALA 102  -7.570  12.149  -7.801
  990    H    GLY 103           H        GLY 103  -7.065   8.873  -6.181
  991   1HA   GLY 103          1HA       GLY 103  -8.900   8.687  -4.396
  992   2HA   GLY 103          2HA       GLY 103  -7.666   9.511  -3.426
  993    QA   GLY 103           QA       GLY 103  -8.283   9.099  -3.911
  994    H    TRP 104           H        TRP 104  -6.489   8.094  -2.300
  995    HA   TRP 104           HA       TRP 104  -5.187   6.014  -3.622
  996   1HB   TRP 104          2HB       TRP 104  -4.006   6.711  -1.766
  997   2HB   TRP 104          1HB       TRP 104  -5.399   6.763  -0.727
  998    HD1  TRP 104           HD       TRP 104  -2.505   4.520  -1.691
  999    HE1  TRP 104          1HE       TRP 104  -2.663   2.351  -0.299
 1000    HE3  TRP 104          3HE       TRP 104  -7.182   5.116   0.276
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.574   1.115   1.386
 1002    HZ3  TRP 104          3HZ       TRP 104  -8.061   3.583   1.636
 1003    HH2  TRP 104           HH       TRP 104  -6.906   1.599   2.233
 1004    QB   TRP 104           QB       TRP 104  -4.703   6.737  -1.246
 1005    H    HIS 105           H        HIS 105  -5.526   3.989  -3.985
 1006    HA   HIS 105           HA       HIS 105  -8.221   2.984  -3.415
 1007   1HB   HIS 105          2HB       HIS 105  -6.195   2.521  -5.518
 1008   2HB   HIS 105          1HB       HIS 105  -7.650   1.494  -5.428
 1009    HD1  HIS 105          1HD       HIS 105  -9.981   3.057  -5.807
 1010    HD2  HIS 105          2HD       HIS 105  -6.354   4.713  -6.972
 1011    HE1  HIS 105          1HE       HIS 105 -10.559   4.932  -7.322
 1012    HE2  HIS 105          2HE       HIS 105  -8.382   6.086  -7.747
 1013    QB   HIS 105           QB       HIS 105  -6.923   2.008  -5.473
 1014    H    MET 106           H        MET 106  -8.415   0.746  -2.830
 1015    HA   MET 106           HA       MET 106  -5.942  -0.581  -1.976
 1016   1HB   MET 106          2HB       MET 106  -7.375   0.621  -0.098
 1017   2HB   MET 106          1HB       MET 106  -8.481  -0.711  -0.354
 1018   1HG   MET 106          2HG       MET 106  -5.607  -0.954   0.551
 1019   2HG   MET 106          1HG       MET 106  -7.010  -1.027   1.594
 1020   1HE   MET 106          2HE       MET 106  -4.738  -3.193   1.700
 1021   2HE   MET 106          1HE       MET 106  -6.208  -3.314   2.677
 1022   3HE   MET 106          3HE       MET 106  -5.653  -4.695   1.719
 1023    QB   MET 106           QB       MET 106  -7.928  -0.045  -0.226
 1024    QG   MET 106           QG       MET 106  -6.309  -0.991   1.072
 1025    ME   MET 106           QE       MET 106  -5.533  -3.734   2.032
 1026    H    GLN 107           H        GLN 107  -6.045  -2.786  -2.398
 1027    HA   GLN 107           HA       GLN 107  -7.697  -3.803  -4.371
 1028   1HB   GLN 107          2HB       GLN 107  -5.596  -4.864  -3.658
 1029   2HB   GLN 107          1HB       GLN 107  -6.356  -5.344  -2.148
 1030   1HG   GLN 107          2HG       GLN 107  -6.265  -7.235  -3.624
 1031   2HG   GLN 107          1HG       GLN 107  -7.942  -6.742  -3.418
 1032   1HE2  GLN 107          1HE2      GLN 107  -9.050  -5.840  -5.188
 1033   2HE2  GLN 107          2HE2      GLN 107  -8.435  -5.978  -6.791
 1034    QB   GLN 107           QB       GLN 107  -5.976  -5.104  -2.903
 1035    QG   GLN 107           QG       GLN 107  -7.104  -6.988  -3.521
 1036    QE   GLN 107           QE2      GLN 107  -8.742  -5.909  -5.990
 1037    H    LEU 108           H        LEU 108  -8.062  -4.055  -0.860
 1038    HA   LEU 108           HA       LEU 108 -10.855  -4.721  -1.316
 1039   1HB   LEU 108          2HB       LEU 108  -9.327  -6.592  -0.329
 1040   2HB   LEU 108          1HB       LEU 108  -9.272  -5.609   1.112
 1041    HG   LEU 108           HG       LEU 108 -10.845  -7.481   1.322
 1042   1HD1  LEU 108          2HD1      LEU 108 -11.342  -5.506   2.623
 1043   2HD1  LEU 108          1HD1      LEU 108 -12.282  -4.840   1.292
 1044   3HD1  LEU 108          3HD1      LEU 108 -12.825  -6.311   2.105
 1045   1HD2  LEU 108          3HD2      LEU 108 -11.482  -7.703  -1.016
 1046   2HD2  LEU 108          2HD2      LEU 108 -12.905  -7.579   0.013
 1047   3HD2  LEU 108          1HD2      LEU 108 -12.378  -6.187  -0.931
 1048    MD1  LEU 108           QD1      LEU 108 -12.149  -5.552   2.006
 1049    MD2  LEU 108           QD2      LEU 108 -12.255  -7.156  -0.645
 1050    QB   LEU 108           QB       LEU 108  -9.300  -6.101   0.392
 1051    QD   LEU 108           QQD      LEU 108 -12.202  -6.354   0.681
 1052    H    SER 109           H        SER 109 -11.012  -2.448  -1.401
 1053    HA   SER 109           HA       SER 109 -10.472  -0.858   0.934
 1054   1HB   SER 109          2HB       SER 109 -10.376   0.010  -1.444
 1055   2HB   SER 109          1HB       SER 109 -12.117  -0.217  -1.542
 1056    HG   SER 109           HG       SER 109 -11.286   1.265   0.625
 1057    QB   SER 109           QB       SER 109 -11.246  -0.104  -1.493
 1058    H    CYS 110           H        CYS 110 -12.947  -2.705  -0.494
 1059    HA   CYS 110           HA       CYS 110 -14.541  -2.920   1.793
 1060   1HB   CYS 110          2HB       CYS 110 -16.621  -2.047   0.628
 1061   2HB   CYS 110          1HB       CYS 110 -15.481  -0.791   1.089
 1062    HG   CYS 110           HG       CYS 110 -16.245  -1.942  -2.012
 1063    QB   CYS 110           QB       CYS 110 -16.051  -1.419   0.859
 1064    H    SER 111           H        SER 111 -16.044  -4.725   1.342
 1065    HA   SER 111           HA       SER 111 -15.070  -6.234  -0.918
 1066   1HB   SER 111          2HB       SER 111 -16.437  -8.088   0.051
 1067   2HB   SER 111          1HB       SER 111 -15.251  -7.443   1.180
 1068    HG   SER 111           HG       SER 111 -16.790  -6.798   2.431
 1069    QB   SER 111           QB       SER 111 -15.844  -7.766   0.615
 1070    H    GLU 112           H        GLU 112 -16.538  -7.204  -2.444
 1071    HA   GLU 112           HA       GLU 112 -18.360  -5.403  -3.533
 1072   1HB   GLU 112          2HB       GLU 112 -18.045  -8.364  -4.006
 1073   2HB   GLU 112          1HB       GLU 112 -19.052  -7.308  -4.988
 1074   1HG   GLU 112          2HG       GLU 112 -17.125  -5.998  -5.608
 1075   2HG   GLU 112          1HG       GLU 112 -16.101  -6.983  -4.574
 1076    QB   GLU 112           QB       GLU 112 -18.548  -7.836  -4.497
 1077    QG   GLU 112           QG       GLU 112 -16.613  -6.490  -5.091
 1078    H    ALA 113           H        ALA 113 -18.885  -8.322  -1.629
 1079    HA   ALA 113           HA       ALA 113 -20.550  -9.058  -0.309
 1080   1HB   ALA 113          3HB       ALA 113 -20.207  -6.844   0.781
 1081   2HB   ALA 113          2HB       ALA 113 -21.540  -6.218  -0.191
 1082   3HB   ALA 113          1HB       ALA 113 -21.831  -7.503   0.979
 1083    MB   ALA 113           QB       ALA 113 -21.193  -6.855   0.523
 1084    H    ASP 114           H        ASP 114 -21.666  -7.357  -3.005
 1085    HA   ASP 114           HA       ASP 114 -24.269  -8.588  -2.836
 1086   1HB   ASP 114          2HB       ASP 114 -24.144  -6.488  -3.964
 1087   2HB   ASP 114          1HB       ASP 114 -22.980  -7.112  -5.140
 1088    QB   ASP 114           QB       ASP 114 -23.562  -6.800  -4.552
 1089    H    MET 115           H        MET 115 -21.318  -9.223  -4.587
 1090    HA   MET 115           HA       MET 115 -22.284 -11.323  -6.175
 1091   1HB   MET 115          2HB       MET 115 -19.499 -10.873  -5.093
 1092   2HB   MET 115          1HB       MET 115 -19.910 -12.110  -6.275
 1093   1HG   MET 115          2HG       MET 115 -20.204  -9.137  -6.641
 1094   2HG   MET 115          1HG       MET 115 -18.968 -10.167  -7.362
 1095   1HE   MET 115          1HE       MET 115 -19.545  -9.241  -9.766
 1096   2HE   MET 115          3HE       MET 115 -21.170  -9.224 -10.444
 1097   3HE   MET 115          2HE       MET 115 -20.777  -8.185  -9.074
 1098    QB   MET 115           QB       MET 115 -19.704 -11.492  -5.684
 1099    QG   MET 115           QG       MET 115 -19.586  -9.652  -7.002
 1100    ME   MET 115           QE       MET 115 -20.497  -8.883  -9.761
 1101    H    ARG 116           H        ARG 116 -20.750 -11.361  -3.023
 1102    HA   ARG 116           HA       ARG 116 -20.850 -12.688  -1.251
 1103   1HB   ARG 116          2HB       ARG 116 -23.322 -13.792  -2.549
 1104   2HB   ARG 116          1HB       ARG 116 -22.801 -14.117  -0.883
 1105   1HG   ARG 116          2HG       ARG 116 -23.032 -11.761  -0.365
 1106   2HG   ARG 116          1HG       ARG 116 -23.528 -11.437  -2.022
 1107   1HD   ARG 116          2HD       ARG 116 -24.989 -13.206  -0.066
 1108   2HD   ARG 116          1HD       ARG 116 -25.415 -11.546  -0.481
 1109    HE   ARG 116           HE       ARG 116 -25.499 -12.615  -2.865
 1110   1HH1  ARG 116          1HH1      ARG 116 -26.714 -14.029   0.173
 1111   2HH1  ARG 116          2HH1      ARG 116 -28.038 -14.772  -0.533
 1112   1HH2  ARG 116          1HH2      ARG 116 -27.355 -13.643  -3.833
 1113   2HH2  ARG 116          2HH2      ARG 116 -28.445 -14.552  -2.890
 1114    QB   ARG 116           QB       ARG 116 -23.061 -13.955  -1.716
 1115    QG   ARG 116           QG       ARG 116 -23.280 -11.599  -1.194
 1116    QD   ARG 116           QD       ARG 116 -25.202 -12.376  -0.273
 1117    QH1  ARG 116           QH1      ARG 116 -27.376 -14.401  -0.180
 1118    QH2  ARG 116           QH2      ARG 116 -27.900 -14.098  -3.361
 1119    H    SER 117           H        SER 117 -21.341 -14.618  -4.191
 1120    HA   SER 117           HA       SER 117 -20.650 -17.132  -3.249
 1121   1HB   SER 117          2HB       SER 117 -20.214 -16.043  -6.026
 1122   2HB   SER 117          1HB       SER 117 -20.494 -17.726  -5.564
 1123    HG   SER 117           HG       SER 117 -22.580 -17.278  -5.087
 1124    QB   SER 117           QB       SER 117 -20.354 -16.884  -5.795
 1125    H    LEU 118           H        LEU 118 -18.576 -14.527  -3.512
 1126    HA   LEU 118           HA       LEU 118 -16.135 -15.782  -4.183
 1127   1HB   LEU 118          2HB       LEU 118 -16.647 -13.373  -2.440
 1128   2HB   LEU 118          1HB       LEU 118 -15.086 -13.836  -3.085
 1129    HG   LEU 118           HG       LEU 118 -17.473 -12.958  -4.722
 1130   1HD1  LEU 118          2HD1      LEU 118 -14.906 -11.535  -4.052
 1131   2HD1  LEU 118          1HD1      LEU 118 -16.151 -10.949  -5.154
 1132   3HD1  LEU 118          3HD1      LEU 118 -16.506 -11.133  -3.437
 1133   1HD2  LEU 118          1HD2      LEU 118 -14.641 -13.640  -5.532
 1134   2HD2  LEU 118          3HD2      LEU 118 -16.108 -14.521  -5.980
 1135   3HD2  LEU 118          2HD2      LEU 118 -15.841 -12.882  -6.571
 1136    MD1  LEU 118           QD1      LEU 118 -15.854 -11.206  -4.214
 1137    MD2  LEU 118           QD2      LEU 118 -15.530 -13.681  -6.028
 1138    QB   LEU 118           QB       LEU 118 -15.867 -13.605  -2.762
 1139    QD   LEU 118           QQD      LEU 118 -15.692 -12.443  -5.121
 1140    H    GLY 119           H        GLY 119 -18.064 -15.740  -1.288
 1141   1HA   GLY 119          1HA       GLY 119 -16.195 -16.125   0.711
 1142   2HA   GLY 119          2HA       GLY 119 -16.416 -17.696  -0.040
 1143    QA   GLY 119           QA       GLY 119 -16.305 -16.911   0.335
 1144    H    LEU 120           H        LEU 120 -18.728 -15.117   0.593
 1145    HA   LEU 120           HA       LEU 120 -19.984 -16.234   2.868
 1146   1HB   LEU 120          2HB       LEU 120 -20.083 -13.813   1.856
 1147   2HB   LEU 120          1HB       LEU 120 -21.327 -14.508   0.831
 1148    HG   LEU 120           HG       LEU 120 -21.564 -14.424   3.847
 1149   1HD1  LEU 120          1HD1      LEU 120 -22.604 -12.464   1.807
 1150   2HD1  LEU 120          3HD1      LEU 120 -23.016 -12.477   3.520
 1151   3HD1  LEU 120          2HD1      LEU 120 -21.357 -12.156   3.020
 1152   1HD2  LEU 120          3HD2      LEU 120 -23.028 -16.043   2.683
 1153   2HD2  LEU 120          2HD2      LEU 120 -23.946 -14.728   3.416
 1154   3HD2  LEU 120          1HD2      LEU 120 -23.644 -14.732   1.678
 1155    MD1  LEU 120           QD1      LEU 120 -22.326 -12.366   2.782
 1156    MD2  LEU 120           QD2      LEU 120 -23.539 -15.168   2.592
 1157    QB   LEU 120           QB       LEU 120 -20.705 -14.160   1.343
 1158    QD   LEU 120           QQD      LEU 120 -22.933 -13.767   2.687
 1159    H    ALA 121           H        ALA 121 -20.956 -16.166  -0.552
 1160    HA   ALA 121           HA       ALA 121 -22.939 -18.137   0.026
 1161   1HB   ALA 121          2HB       ALA 121 -23.834 -17.719  -2.241
 1162   2HB   ALA 121          3HB       ALA 121 -22.484 -16.632  -2.563
 1163   3HB   ALA 121          1HB       ALA 121 -23.663 -16.229  -1.318
 1164    MB   ALA 121           QB       ALA 121 -23.327 -16.860  -2.040
 1165    H    GLU 122           H        GLU 122 -20.341 -18.784   0.165
 1166    HA   GLU 122           HA       GLU 122 -20.064 -20.907  -1.840
 1167   1HB   GLU 122          2HB       GLU 122 -18.212 -19.308  -2.137
 1168   2HB   GLU 122          1HB       GLU 122 -17.871 -19.363  -0.413
 1169   1HG   GLU 122          2HG       GLU 122 -17.365 -21.800  -0.675
 1170   2HG   GLU 122          1HG       GLU 122 -17.511 -21.588  -2.412
 1171    QB   GLU 122           QB       GLU 122 -18.041 -19.336  -1.275
 1172    QG   GLU 122           QG       GLU 122 -17.438 -21.694  -1.544
 1173    H    SER 123           H        SER 123 -19.852 -22.879  -0.894
 1174    HA   SER 123           HA       SER 123 -20.433 -23.021   1.873
 1175   1HB   SER 123          2HB       SER 123 -21.385 -24.643   0.316
 1176   2HB   SER 123          1HB       SER 123 -19.762 -25.189  -0.102
 1177    HG   SER 123           HG       SER 123 -21.257 -26.134   1.755
 1178    QB   SER 123           QB       SER 123 -20.574 -24.916   0.107
 1179    H    ARG 124           H        ARG 124 -19.094 -23.227   3.437
 1180    HA   ARG 124           HA       ARG 124 -16.252 -23.318   3.126
 1181   1HB   ARG 124          2HB       ARG 124 -16.080 -23.315   5.530
 1182   2HB   ARG 124          1HB       ARG 124 -17.410 -22.251   5.115
 1183   1HG   ARG 124          2HG       ARG 124 -17.721 -25.097   6.074
 1184   2HG   ARG 124          1HG       ARG 124 -17.830 -23.674   7.105
 1185   1HD   ARG 124          2HD       ARG 124 -19.767 -22.913   5.886
 1186   2HD   ARG 124          1HD       ARG 124 -19.597 -24.238   4.734
 1187    HE   ARG 124           HE       ARG 124 -19.786 -25.377   7.211
 1188   1HH1  ARG 124          1HH1      ARG 124 -21.837 -23.340   5.172
 1189   2HH1  ARG 124          2HH1      ARG 124 -23.303 -23.979   5.746
 1190   1HH2  ARG 124          1HH2      ARG 124 -21.765 -26.288   7.998
 1191   2HH2  ARG 124          2HH2      ARG 124 -23.257 -25.716   7.416
 1192    QB   ARG 124           QB       ARG 124 -16.745 -22.783   5.323
 1193    QG   ARG 124           QG       ARG 124 -17.775 -24.386   6.590
 1194    QD   ARG 124           QD       ARG 124 -19.682 -23.576   5.310
 1195    QH1  ARG 124           QH1      ARG 124 -22.570 -23.660   5.459
 1196    QH2  ARG 124           QH2      ARG 124 -22.511 -26.002   7.707
 1197    H    GLN 125           H        GLN 125 -18.581 -25.659   2.840
 1198    HA   GLN 125           HA       GLN 125 -16.831 -27.850   3.692
 1199   1HB   GLN 125          2HB       GLN 125 -19.099 -27.710   4.747
 1200   2HB   GLN 125          1HB       GLN 125 -19.825 -27.793   3.160
 1201   1HG   GLN 125          2HG       GLN 125 -18.110 -29.997   4.288
 1202   2HG   GLN 125          1HG       GLN 125 -19.843 -29.904   4.558
 1203   1HE2  GLN 125          1HE2      GLN 125 -20.429 -28.923   1.858
 1204   2HE2  GLN 125          2HE2      GLN 125 -20.197 -30.242   0.796
 1205    QB   GLN 125           QB       GLN 125 -19.462 -27.751   3.954
 1206    QG   GLN 125           QG       GLN 125 -18.977 -29.951   4.423
 1207    QE   GLN 125           QE2      GLN 125 -20.313 -29.582   1.327

  No H/Q in entry =        1207
  Start of MODEL    8
    1    H1   LEU   5          3HT       LEU   5 -17.674  14.615 -19.162
    2    H2   LEU   5          2HT       LEU   5 -17.396  12.936 -19.075
    3    H3   LEU   5          1HT       LEU   5 -17.663  13.837 -17.694
    4    HA   LEU   5           HA       LEU   5 -15.358  13.389 -17.821
    5   1HB   LEU   5          2HB       LEU   5 -15.580  14.801 -20.487
    6   2HB   LEU   5          1HB       LEU   5 -14.069  14.710 -19.623
    7    HG   LEU   5           HG       LEU   5 -14.070  13.144 -21.397
    8   1HD1  LEU   5          1HD1      LEU   5 -14.415  11.688 -18.799
    9   2HD1  LEU   5          3HD1      LEU   5 -13.686  11.027 -20.264
   10   3HD1  LEU   5          2HD1      LEU   5 -12.936  12.393 -19.443
   11   1HD2  LEU   5          2HD2      LEU   5 -16.492  12.945 -21.679
   12   2HD2  LEU   5          1HD2      LEU   5 -15.682  11.368 -21.669
   13   3HD2  LEU   5          3HD2      LEU   5 -16.557  11.919 -20.243
   14    MD1  LEU   5           QD1      LEU   5 -13.679  11.703 -19.502
   15    MD2  LEU   5           QD2      LEU   5 -16.244  12.077 -21.197
   16    QB   LEU   5           QB       LEU   5 -14.825  14.755 -20.055
   17    QD   LEU   5           QQD      LEU   5 -14.961  11.890 -20.349
   18    H    GLU   6           H        GLU   6 -13.682  15.110 -17.499
   19    HA   GLU   6           HA       GLU   6 -14.656  17.765 -17.154
   20   1HB   GLU   6          2HB       GLU   6 -14.817  16.571 -14.941
   21   2HB   GLU   6          1HB       GLU   6 -13.133  16.140 -15.241
   22   1HG   GLU   6          2HG       GLU   6 -13.617  17.952 -13.596
   23   2HG   GLU   6          1HG       GLU   6 -12.351  18.269 -14.791
   24    QB   GLU   6           QB       GLU   6 -13.975  16.355 -15.091
   25    QG   GLU   6           QG       GLU   6 -12.984  18.110 -14.194
   26    H    ALA   7           H        ALA   7 -12.913  19.144 -17.333
   27    HA   ALA   7           HA       ALA   7 -10.964  18.299 -19.220
   28   1HB   ALA   7          1HB       ALA   7 -11.011  20.848 -17.592
   29   2HB   ALA   7          3HB       ALA   7 -10.011  20.542 -19.015
   30   3HB   ALA   7          2HB       ALA   7 -11.769  20.616 -19.166
   31    MB   ALA   7           QB       ALA   7 -10.930  20.668 -18.591
   32    H    ASP   8           H        ASP   8  -8.902  17.683 -18.974
   33    HA   ASP   8           HA       ASP   8  -8.124  16.678 -16.447
   34   1HB   ASP   8          2HB       ASP   8  -7.389  15.572 -18.497
   35   2HB   ASP   8          1HB       ASP   8  -6.497  17.010 -18.978
   36    QB   ASP   8           QB       ASP   8  -6.943  16.291 -18.737
   37    H    VAL   9           H        VAL   9  -7.229  17.678 -14.861
   38    HA   VAL   9           HA       VAL   9  -6.785  20.339 -14.993
   39    HB   VAL   9           HB       VAL   9  -6.280  20.202 -12.571
   40   1HG1  VAL   9          3HG1      VAL   9  -8.699  18.687 -13.550
   41   2HG1  VAL   9          2HG1      VAL   9  -8.522  19.404 -11.949
   42   3HG1  VAL   9          1HG1      VAL   9  -8.572  20.437 -13.380
   43   1HG2  VAL   9          3HG2      VAL   9  -5.173  18.064 -12.645
   44   2HG2  VAL   9          2HG2      VAL   9  -6.518  18.036 -11.482
   45   3HG2  VAL   9          1HG2      VAL   9  -6.687  17.290 -13.085
   46    MG1  VAL   9           QG1      VAL   9  -8.598  19.509 -12.960
   47    MG2  VAL   9           QG2      VAL   9  -6.126  17.797 -12.404
   48    QG   VAL   9           QQG      VAL   9  -7.362  18.653 -12.682
   49    H    THR  10           H        THR  10  -4.729  18.136 -16.062
   50    HA   THR  10           HA       THR  10  -2.635  17.998 -16.669
   51    HB   THR  10           HB       THR  10  -1.139  19.782 -16.669
   52    HG1  THR  10          1HG       THR  10  -2.930  20.928 -14.837
   53   1HG2  THR  10          3HG2      THR  10  -3.919  20.630 -17.437
   54   2HG2  THR  10          2HG2      THR  10  -2.457  21.446 -17.994
   55   3HG2  THR  10          1HG2      THR  10  -2.752  19.762 -18.430
   56    MG   THR  10           QG2      THR  10  -3.043  20.613 -17.954
   57    H    MET  11           H        MET  11  -0.824  17.055 -16.059
   58    HA   MET  11           HA       MET  11  -0.467  16.615 -13.266
   59   1HB   MET  11          2HB       MET  11   1.020  15.678 -15.724
   60   2HB   MET  11          1HB       MET  11   1.580  15.313 -14.105
   61   1HG   MET  11          2HG       MET  11   0.431  13.431 -15.066
   62   2HG   MET  11          1HG       MET  11  -0.488  14.089 -13.719
   63   1HE   MET  11          2HE       MET  11  -1.554  12.014 -15.986
   64   2HE   MET  11          1HE       MET  11  -2.518  12.532 -14.601
   65   3HE   MET  11          3HE       MET  11  -3.184  12.642 -16.231
   66    QB   MET  11           QB       MET  11   1.300  15.495 -14.915
   67    QG   MET  11           QG       MET  11  -0.028  13.760 -14.393
   68    ME   MET  11           QE       MET  11  -2.419  12.396 -15.606
   69    H    THR  12           H        THR  12  -0.208  18.952 -12.918
   70    HA   THR  12           HA       THR  12   2.541  19.825 -13.390
   71    HB   THR  12           HB       THR  12   1.697  22.034 -13.061
   72    HG1  THR  12          1HG       THR  12  -0.856  21.393 -14.019
   73   1HG2  THR  12          1HG2      THR  12   0.703  20.532 -15.473
   74   2HG2  THR  12          3HG2      THR  12   0.822  22.287 -15.406
   75   3HG2  THR  12          2HG2      THR  12   2.278  21.304 -15.274
   76    MG   THR  12           QG2      THR  12   1.267  21.375 -15.385
   77    H    GLY  13           H        GLY  13   3.178  18.661 -11.646
   78   1HA   GLY  13          1HA       GLY  13   2.699  18.355  -9.174
   79   2HA   GLY  13          2HA       GLY  13   2.782  20.122  -9.156
   80    QA   GLY  13           QA       GLY  13   2.741  19.238  -9.165
   81    H    SER  14           H        SER  14   4.634  19.942  -7.795
   82    HA   SER  14           HA       SER  14   7.019  19.332  -9.381
   83   1HB   SER  14          2HB       SER  14   8.022  21.142  -7.908
   84   2HB   SER  14          1HB       SER  14   6.851  21.617  -9.150
   85    HG   SER  14           HG       SER  14   6.378  21.361  -6.337
   86    QB   SER  14           QB       SER  14   7.436  21.380  -8.529
   87    H    ASP  15           H        ASP  15   5.651  19.259  -6.082
   88    HA   ASP  15           HA       ASP  15   8.001  17.922  -5.193
   89   1HB   ASP  15          2HB       ASP  15   7.195  18.741  -3.028
   90   2HB   ASP  15          1HB       ASP  15   7.842  20.018  -4.028
   91    QB   ASP  15           QB       ASP  15   7.518  19.380  -3.528
   92    H    LEU  16           H        LEU  16   6.361  16.467  -6.432
   93    HA   LEU  16           HA       LEU  16   5.291  14.814  -4.306
   94   1HB   LEU  16          2HB       LEU  16   4.462  14.812  -7.176
   95   2HB   LEU  16          1HB       LEU  16   3.783  13.820  -5.898
   96    HG   LEU  16           HG       LEU  16   2.185  15.337  -6.274
   97   1HD1  LEU  16          1HD1      LEU  16   3.730  16.590  -4.075
   98   2HD1  LEU  16          3HD1      LEU  16   2.060  16.959  -4.480
   99   3HD1  LEU  16          2HD1      LEU  16   2.498  15.326  -3.961
  100   1HD2  LEU  16          1HD2      LEU  16   4.227  17.484  -6.665
  101   2HD2  LEU  16          3HD2      LEU  16   3.236  16.636  -7.860
  102   3HD2  LEU  16          2HD2      LEU  16   2.466  17.720  -6.691
  103    MD1  LEU  16           QD1      LEU  16   2.763  16.292  -4.172
  104    MD2  LEU  16           QD2      LEU  16   3.310  17.280  -7.072
  105    QB   LEU  16           QB       LEU  16   4.122  14.316  -6.537
  106    QD   LEU  16           QQD      LEU  16   3.036  16.786  -5.622
  107    H    VAL  17           H        VAL  17   5.474  12.703  -4.558
  108    HA   VAL  17           HA       VAL  17   7.500  11.806  -6.173
  109    HB   VAL  17           HB       VAL  17   7.741  12.043  -3.185
  110   1HG1  VAL  17          1HG1      VAL  17   9.005  10.108  -4.957
  111   2HG1  VAL  17          3HG1      VAL  17   9.690  10.488  -3.345
  112   3HG1  VAL  17          2HG1      VAL  17   8.029   9.824  -3.453
  113   1HG2  VAL  17          2HG2      VAL  17   8.894  13.719  -4.635
  114   2HG2  VAL  17          1HG2      VAL  17   9.995  12.794  -3.604
  115   3HG2  VAL  17          3HG2      VAL  17   9.853  12.402  -5.308
  116    MG1  VAL  17           QG1      VAL  17   8.908  10.140  -3.918
  117    MG2  VAL  17           QG2      VAL  17   9.581  12.971  -4.516
  118    QG   VAL  17           QQG      VAL  17   9.244  11.556  -4.217
  119    H    SER  18           H        SER  18   7.297   9.477  -6.137
  120    HA   SER  18           HA       SER  18   5.184   8.363  -4.505
  121   1HB   SER  18          2HB       SER  18   4.349   7.017  -6.470
  122   2HB   SER  18          1HB       SER  18   4.004   8.745  -6.548
  123    HG   SER  18           HG       SER  18   6.357   8.305  -7.685
  124    QB   SER  18           QB       SER  18   4.177   7.881  -6.509
  125    H    CYS  19           H        CYS  19   5.988   6.857  -3.370
  126    HA   CYS  19           HA       CYS  19   8.219   5.283  -4.354
  127   1HB   CYS  19          2HB       CYS  19   6.879   5.380  -1.638
  128   2HB   CYS  19          1HB       CYS  19   8.351   4.493  -2.018
  129    HG   CYS  19           HG       CYS  19  10.003   6.472  -1.580
  130    QB   CYS  19           QB       CYS  19   7.615   4.936  -1.828
  131    H    CYS  20           H        CYS  20   7.882   3.286  -5.122
  132    HA   CYS  20           HA       CYS  20   5.139   2.201  -4.964
  133   1HB   CYS  20          2HB       CYS  20   7.180   1.834  -7.181
  134   2HB   CYS  20          1HB       CYS  20   5.513   1.288  -7.176
  135    HG   CYS  20           HG       CYS  20   6.100   3.471  -8.935
  136    QB   CYS  20           QB       CYS  20   6.346   1.561  -7.179
  137    H    TYR  21           H        TYR  21   5.221   0.531  -3.545
  138    HA   TYR  21           HA       TYR  21   7.776  -0.860  -3.592
  139   1HB   TYR  21          2HB       TYR  21   7.735  -1.144  -1.315
  140   2HB   TYR  21          1HB       TYR  21   7.426   0.554  -1.640
  141    HD1  TYR  21          1HD       TYR  21   5.789  -2.626  -0.656
  142    HD2  TYR  21          2HD       TYR  21   5.797   1.605  -0.485
  143    HE1  TYR  21          1HE       TYR  21   4.162  -2.727   1.059
  144    HE2  TYR  21          2HE       TYR  21   4.139   1.538   1.261
  145    HH   TYR  21           HH       TYR  21   2.370  -0.085   2.107
  146    QB   TYR  21           QB       TYR  21   7.580  -0.295  -1.477
  147    QD   TYR  21           QD       TYR  21   5.793  -0.511  -0.570
  148    QE   TYR  21           QE       TYR  21   4.150  -0.595   1.160
  149    QR   TYR  21           QR       TYR  21   4.972  -0.553   0.295
  150    H    ARG  22           H        ARG  22   7.809  -3.003  -2.989
  151    HA   ARG  22           HA       ARG  22   5.390  -4.519  -3.664
  152   1HB   ARG  22          2HB       ARG  22   7.193  -4.445  -5.383
  153   2HB   ARG  22          1HB       ARG  22   8.315  -5.085  -4.215
  154   1HG   ARG  22          2HG       ARG  22   5.905  -6.575  -5.254
  155   2HG   ARG  22          1HG       ARG  22   7.519  -6.714  -5.934
  156   1HD   ARG  22          2HD       ARG  22   6.537  -7.573  -3.218
  157   2HD   ARG  22          1HD       ARG  22   7.203  -8.583  -4.493
  158    HE   ARG  22           HE       ARG  22   8.684  -6.782  -2.716
  159   1HH1  ARG  22          1HH1      ARG  22   8.800  -9.217  -5.295
  160   2HH1  ARG  22          2HH1      ARG  22  10.398  -9.677  -4.961
  161   1HH2  ARG  22          1HH2      ARG  22  10.918  -7.492  -2.244
  162   2HH2  ARG  22          2HH2      ARG  22  11.623  -8.683  -3.216
  163    QB   ARG  22           QB       ARG  22   7.754  -4.765  -4.799
  164    QG   ARG  22           QG       ARG  22   6.712  -6.645  -5.594
  165    QD   ARG  22           QD       ARG  22   6.870  -8.078  -3.856
  166    QH1  ARG  22           QH1      ARG  22   9.599  -9.447  -5.128
  167    QH2  ARG  22           QH2      ARG  22  11.271  -8.088  -2.730
  168    H    SER  23           H        SER  23   4.723  -5.619  -1.910
  169    HA   SER  23           HA       SER  23   6.745  -6.632  -0.078
  170   1HB   SER  23          2HB       SER  23   3.906  -5.806   0.537
  171   2HB   SER  23          1HB       SER  23   5.040  -6.512   1.699
  172    HG   SER  23           HG       SER  23   5.739  -4.302   0.194
  173    QB   SER  23           QB       SER  23   4.473  -6.159   1.118
  174    H    LEU  24           H        LEU  24   6.064  -8.734   0.932
  175    HA   LEU  24           HA       LEU  24   4.307 -10.282  -0.888
  176   1HB   LEU  24          2HB       LEU  24   6.649 -11.197   0.798
  177   2HB   LEU  24          1HB       LEU  24   5.506 -12.326   0.118
  178    HG   LEU  24           HG       LEU  24   7.492 -12.340  -1.195
  179   1HD1  LEU  24          3HD1      LEU  24   5.451 -12.603  -2.431
  180   2HD1  LEU  24          2HD1      LEU  24   5.359 -10.853  -2.665
  181   3HD1  LEU  24          1HD1      LEU  24   6.668 -11.771  -3.399
  182   1HD2  LEU  24          2HD2      LEU  24   8.372 -10.136  -0.599
  183   2HD2  LEU  24          1HD2      LEU  24   8.371 -10.398  -2.352
  184   3HD2  LEU  24          3HD2      LEU  24   7.122  -9.402  -1.620
  185    MD1  LEU  24           QD1      LEU  24   5.826 -11.742  -2.832
  186    MD2  LEU  24           QD2      LEU  24   7.955  -9.978  -1.524
  187    QB   LEU  24           QB       LEU  24   6.078 -11.762   0.458
  188    QD   LEU  24           QQD      LEU  24   6.890 -10.860  -2.178
  189    H    ALA  25           H        ALA  25   2.970  -8.882   0.914
  190    HA   ALA  25           HA       ALA  25   2.262  -8.812   3.290
  191   1HB   ALA  25          2HB       ALA  25   0.335 -10.357   1.560
  192   2HB   ALA  25          3HB       ALA  25   0.507  -8.594   1.728
  193   3HB   ALA  25          1HB       ALA  25  -0.043  -9.535   3.093
  194    MB   ALA  25           QB       ALA  25   0.266  -9.496   2.127
  195    H    ALA  26           H        ALA  26   2.824  -9.729   5.182
  196    HA   ALA  26           HA       ALA  26   3.840 -12.148   5.270
  197   1HB   ALA  26          2HB       ALA  26   4.321 -10.357   6.706
  198   2HB   ALA  26          1HB       ALA  26   2.720 -10.406   7.410
  199   3HB   ALA  26          3HB       ALA  26   3.837 -11.763   7.690
  200    MB   ALA  26           QB       ALA  26   3.626 -10.842   7.269
  201    HA   PRO  27           HA       PRO  27   0.151 -14.751   5.705
  202   1HB   PRO  27          2HB       PRO  27   1.444 -16.900   6.720
  203   2HB   PRO  27          1HB       PRO  27   1.556 -16.435   5.008
  204   1HG   PRO  27          2HG       PRO  27   3.361 -15.515   7.240
  205   2HG   PRO  27          1HG       PRO  27   3.870 -16.466   5.785
  206   1HD   PRO  27          2HD       PRO  27   4.173 -13.949   5.910
  207   2HD   PRO  27          1HD       PRO  27   3.315 -14.563   4.469
  208    QB   PRO  27           QB       PRO  27   1.500 -16.668   5.864
  209    QG   PRO  27           QG       PRO  27   3.615 -15.991   6.512
  210    QD   PRO  27           QD       PRO  27   3.744 -14.256   5.190
  211    H    ASP  28           H        ASP  28   1.841 -13.376   8.045
  212    HA   ASP  28           HA       ASP  28   0.436 -14.698  10.256
  213   1HB   ASP  28          2HB       ASP  28   2.913 -14.580  10.451
  214   2HB   ASP  28          1HB       ASP  28   2.817 -12.827  10.432
  215    QB   ASP  28           QB       ASP  28   2.865 -13.704  10.442
  216    H    LEU  29           H        LEU  29  -0.184 -12.330   8.245
  217    HA   LEU  29           HA       LEU  29  -0.814 -10.208  10.044
  218   1HB   LEU  29          2HB       LEU  29  -1.609 -10.632   7.188
  219   2HB   LEU  29          1HB       LEU  29  -1.967  -9.193   8.125
  220    HG   LEU  29           HG       LEU  29   0.695 -10.192   7.186
  221   1HD1  LEU  29          2HD1      LEU  29  -0.745  -8.993   5.629
  222   2HD1  LEU  29          1HD1      LEU  29  -0.775  -7.629   6.748
  223   3HD1  LEU  29          3HD1      LEU  29   0.758  -8.117   5.988
  224   1HD2  LEU  29          3HD2      LEU  29   0.094  -7.923   9.079
  225   2HD2  LEU  29          2HD2      LEU  29   0.983  -9.406   9.455
  226   3HD2  LEU  29          1HD2      LEU  29   1.661  -8.237   8.326
  227    MD1  LEU  29           QD1      LEU  29  -0.254  -8.246   6.122
  228    MD2  LEU  29           QD2      LEU  29   0.913  -8.522   8.953
  229    QB   LEU  29           QB       LEU  29  -1.788  -9.913   7.656
  230    QD   LEU  29           QQD      LEU  29   0.329  -8.384   7.537
  231    H    THR  30           H        THR  30  -2.861  -9.319  10.273
  232    HA   THR  30           HA       THR  30  -5.015 -11.273  10.547
  233    HB   THR  30           HB       THR  30  -5.501  -9.189  12.037
  234    HG1  THR  30          1HG       THR  30  -3.593  -8.326  12.597
  235   1HG2  THR  30          3HG2      THR  30  -4.248 -11.807  12.649
  236   2HG2  THR  30          2HG2      THR  30  -4.942 -10.748  13.912
  237   3HG2  THR  30          1HG2      THR  30  -5.964 -11.376  12.592
  238    MG   THR  30           QG2      THR  30  -5.051 -11.311  13.051
  239    H    LEU  31           H        LEU  31  -6.935 -10.803   9.816
  240    HA   LEU  31           HA       LEU  31  -7.507  -9.055   7.718
  241   1HB   LEU  31          2HB       LEU  31  -8.818 -11.018   8.577
  242   2HB   LEU  31          1HB       LEU  31  -9.208  -9.897   9.897
  243    HG   LEU  31           HG       LEU  31 -10.458  -8.473   8.387
  244   1HD1  LEU  31          2HD1      LEU  31  -9.215  -8.869   6.348
  245   2HD1  LEU  31          1HD1      LEU  31  -9.871 -10.512   6.243
  246   3HD1  LEU  31          3HD1      LEU  31 -10.939  -9.104   6.121
  247   1HD2  LEU  31          2HD2      LEU  31 -11.642 -10.261   9.533
  248   2HD2  LEU  31          1HD2      LEU  31 -12.343  -9.952   7.942
  249   3HD2  LEU  31          3HD2      LEU  31 -11.307 -11.356   8.195
  250    MD1  LEU  31           QD1      LEU  31 -10.008  -9.495   6.237
  251    MD2  LEU  31           QD2      LEU  31 -11.764 -10.523   8.557
  252    QB   LEU  31           QB       LEU  31  -9.013 -10.458   9.237
  253    QD   LEU  31           QQD      LEU  31 -10.886 -10.009   7.397
  254    H    ARG  32           H        ARG  32  -7.950  -8.536  11.210
  255    HA   ARG  32           HA       ARG  32  -9.376  -6.138  10.691
  256   1HB   ARG  32          2HB       ARG  32  -9.562  -7.394  12.861
  257   2HB   ARG  32          1HB       ARG  32  -7.973  -6.767  13.296
  258   1HG   ARG  32          2HG       ARG  32  -9.609  -5.335  14.336
  259   2HG   ARG  32          1HG       ARG  32  -8.879  -4.483  12.953
  260   1HD   ARG  32          2HD       ARG  32 -10.772  -5.042  11.551
  261   2HD   ARG  32          1HD       ARG  32 -11.529  -5.921  12.878
  262    HE   ARG  32           HE       ARG  32 -11.187  -3.451  13.878
  263   1HH1  ARG  32          1HH1      ARG  32 -12.704  -4.660  10.939
  264   2HH1  ARG  32          2HH1      ARG  32 -13.751  -3.357  10.713
  265   1HH2  ARG  32          1HH2      ARG  32 -12.605  -1.631  13.654
  266   2HH2  ARG  32          2HH2      ARG  32 -13.683  -1.492  12.356
  267    QB   ARG  32           QB       ARG  32  -8.767  -7.080  13.078
  268    QG   ARG  32           QG       ARG  32  -9.244  -4.909  13.645
  269    QD   ARG  32           QD       ARG  32 -11.150  -5.482  12.214
  270    QH1  ARG  32           QH1      ARG  32 -13.227  -4.009  10.826
  271    QH2  ARG  32           QH2      ARG  32 -13.144  -1.562  13.005
  272    H    ASP  33           H        ASP  33  -6.064  -6.907  10.874
  273    HA   ASP  33           HA       ASP  33  -5.201  -4.224  11.136
  274   1HB   ASP  33          2HB       ASP  33  -3.753  -6.762  10.400
  275   2HB   ASP  33          1HB       ASP  33  -2.955  -5.198  10.305
  276    QB   ASP  33           QB       ASP  33  -3.354  -5.980  10.352
  277    H    LEU  34           H        LEU  34  -6.039  -6.351   8.404
  278    HA   LEU  34           HA       LEU  34  -4.999  -4.470   6.420
  279   1HB   LEU  34          2HB       LEU  34  -7.133  -6.604   6.104
  280   2HB   LEU  34          1HB       LEU  34  -6.619  -5.566   4.805
  281    HG   LEU  34           HG       LEU  34  -5.649  -7.725   4.509
  282   1HD1  LEU  34          2HD1      LEU  34  -4.231  -5.862   3.869
  283   2HD1  LEU  34          1HD1      LEU  34  -3.526  -5.835   5.487
  284   3HD1  LEU  34          3HD1      LEU  34  -3.275  -7.229   4.444
  285   1HD2  LEU  34          3HD2      LEU  34  -5.856  -8.327   6.848
  286   2HD2  LEU  34          2HD2      LEU  34  -4.292  -8.824   6.141
  287   3HD2  LEU  34          1HD2      LEU  34  -4.416  -7.385   7.192
  288    MD1  LEU  34           QD1      LEU  34  -3.678  -6.309   4.600
  289    MD2  LEU  34           QD2      LEU  34  -4.855  -8.179   6.727
  290    QB   LEU  34           QB       LEU  34  -6.876  -6.085   5.455
  291    QD   LEU  34           QQD      LEU  34  -4.266  -7.244   5.664
  292    H    LEU  35           H        LEU  35  -7.984  -5.093   7.953
  293    HA   LEU  35           HA       LEU  35  -9.433  -3.068   6.592
  294   1HB   LEU  35          2HB       LEU  35 -10.033  -4.725   9.036
  295   2HB   LEU  35          1HB       LEU  35 -11.130  -3.464   8.516
  296    HG   LEU  35           HG       LEU  35 -11.784  -5.802   7.757
  297   1HD1  LEU  35          1HD1      LEU  35 -12.610  -3.819   6.609
  298   2HD1  LEU  35          3HD1      LEU  35 -11.192  -3.821   5.561
  299   3HD1  LEU  35          2HD1      LEU  35 -12.343  -5.155   5.489
  300   1HD2  LEU  35          2HD2      LEU  35  -9.462  -6.579   7.296
  301   2HD2  LEU  35          1HD2      LEU  35 -10.539  -6.809   5.896
  302   3HD2  LEU  35          3HD2      LEU  35  -9.389  -5.476   5.978
  303    MD1  LEU  35           QD1      LEU  35 -12.048  -4.265   5.886
  304    MD2  LEU  35           QD2      LEU  35  -9.797  -6.288   6.390
  305    QB   LEU  35           QB       LEU  35 -10.581  -4.095   8.776
  306    QD   LEU  35           QQD      LEU  35 -10.923  -5.276   6.138
  307    H    ASP  36           H        ASP  36  -7.447  -3.090   9.286
  308    HA   ASP  36           HA       ASP  36  -8.021  -0.362  10.105
  309   1HB   ASP  36          2HB       ASP  36  -6.871  -1.880  11.689
  310   2HB   ASP  36          1HB       ASP  36  -5.506  -1.993  10.585
  311    QB   ASP  36           QB       ASP  36  -6.188  -1.937  11.137
  312    H    ILE  37           H        ILE  37  -5.439  -1.896   8.209
  313    HA   ILE  37           HA       ILE  37  -3.899   0.248   7.455
  314    HB   ILE  37           HB       ILE  37  -4.603  -2.249   5.902
  315   1HG1  ILE  37          2HG1      ILE  37  -1.961  -1.492   7.066
  316   2HG1  ILE  37          1HG1      ILE  37  -3.165  -2.244   8.083
  317   1HG2  ILE  37          1HG2      ILE  37  -2.527  -0.187   5.141
  318   2HG2  ILE  37          3HG2      ILE  37  -2.713  -1.774   4.394
  319   3HG2  ILE  37          2HG2      ILE  37  -3.993  -0.570   4.239
  320   1HD1  ILE  37          2HD1      ILE  37  -2.067  -3.420   5.526
  321   2HD1  ILE  37          1HD1      ILE  37  -1.530  -3.844   7.163
  322   3HD1  ILE  37          3HD1      ILE  37  -3.172  -4.198   6.656
  323    MG   ILE  37           QG2      ILE  37  -3.078  -0.844   4.591
  324    MD   ILE  37           QD1      ILE  37  -2.257  -3.821   6.449
  325    QG   ILE  37           QG1      ILE  37  -2.563  -1.868   7.574
  326    H    VAL  38           H        VAL  38  -6.690  -0.991   5.677
  327    HA   VAL  38           HA       VAL  38  -6.703   0.913   3.663
  328    HB   VAL  38           HB       VAL  38  -8.179  -1.029   3.456
  329   1HG1  VAL  38          1HG1      VAL  38  -8.729  -1.348   5.735
  330   2HG1  VAL  38          3HG1      VAL  38  -9.789   0.067   5.722
  331   3HG1  VAL  38          2HG1      VAL  38 -10.169  -1.351   4.726
  332   1HG2  VAL  38          3HG2      VAL  38  -9.817   1.508   3.536
  333   2HG2  VAL  38          2HG2      VAL  38  -8.920   0.883   2.151
  334   3HG2  VAL  38          1HG2      VAL  38 -10.314   0.002   2.765
  335    MG1  VAL  38           QG1      VAL  38  -9.562  -0.877   5.394
  336    MG2  VAL  38           QG2      VAL  38  -9.684   0.798   2.818
  337    QG   VAL  38           QQG      VAL  38  -9.623  -0.040   4.106
  338    H    GLU  39           H        GLU  39  -8.166   1.199   6.839
  339    HA   GLU  39           HA       GLU  39  -9.386   3.734   6.465
  340   1HB   GLU  39          2HB       GLU  39  -8.459   2.321   8.962
  341   2HB   GLU  39          1HB       GLU  39  -9.484   3.744   8.940
  342   1HG   GLU  39          2HG       GLU  39 -10.188   1.126   7.665
  343   2HG   GLU  39          1HG       GLU  39 -10.691   1.611   9.280
  344    QB   GLU  39           QB       GLU  39  -8.971   3.033   8.951
  345    QG   GLU  39           QG       GLU  39 -10.440   1.368   8.472
  346    H    THR  40           H        THR  40  -6.521   2.757   8.274
  347    HA   THR  40           HA       THR  40  -5.555   5.195   9.053
  348    HB   THR  40           HB       THR  40  -4.011   2.671   8.399
  349    HG1  THR  40          1HG       THR  40  -4.783   1.926  10.313
  350   1HG2  THR  40          2HG2      THR  40  -2.561   4.653   8.761
  351   2HG2  THR  40          1HG2      THR  40  -3.368   4.931  10.303
  352   3HG2  THR  40          3HG2      THR  40  -2.395   3.476  10.068
  353    MG   THR  40           QG2      THR  40  -2.775   4.354   9.711
  354    H    SER  41           H        SER  41  -4.922   3.446   6.048
  355    HA   SER  41           HA       SER  41  -2.854   5.129   5.145
  356   1HB   SER  41          2HB       SER  41  -3.214   2.770   4.393
  357   2HB   SER  41          1HB       SER  41  -4.638   3.310   3.507
  358    HG   SER  41           HG       SER  41  -3.321   3.829   1.946
  359    QB   SER  41           QB       SER  41  -3.926   3.040   3.950
  360    H    GLN  42           H        GLN  42  -6.307   4.896   4.116
  361    HA   GLN  42           HA       GLN  42  -6.030   6.985   2.225
  362   1HB   GLN  42          2HB       GLN  42  -8.413   6.854   1.920
  363   2HB   GLN  42          1HB       GLN  42  -7.751   5.238   2.104
  364   1HG   GLN  42          2HG       GLN  42  -8.443   5.303   4.480
  365   2HG   GLN  42          1HG       GLN  42  -9.284   6.812   4.130
  366   1HE2  GLN  42          1HE2      GLN  42 -10.291   4.353   5.016
  367   2HE2  GLN  42          2HE2      GLN  42 -11.420   3.767   3.850
  368    QB   GLN  42           QB       GLN  42  -8.082   6.046   2.012
  369    QG   GLN  42           QG       GLN  42  -8.863   6.057   4.305
  370    QE   GLN  42           QE2      GLN  42 -10.855   4.060   4.433
  371    H    ALA  43           H        ALA  43  -6.932   6.970   5.576
  372    HA   ALA  43           HA       ALA  43  -8.069   9.575   5.520
  373   1HB   ALA  43          3HB       ALA  43  -8.307   9.312   7.896
  374   2HB   ALA  43          1HB       ALA  43  -7.108   8.000   7.905
  375   3HB   ALA  43          2HB       ALA  43  -8.651   7.759   7.110
  376    MB   ALA  43           QB       ALA  43  -8.022   8.357   7.637
  377    H    HIS  44           H        HIS  44  -4.867   8.331   6.416
  378    HA   HIS  44           HA       HIS  44  -3.976  10.992   7.026
  379   1HB   HIS  44          2HB       HIS  44  -2.799   8.994   8.016
  380   2HB   HIS  44          1HB       HIS  44  -2.270   8.605   6.380
  381    HD1  HIS  44          1HD       HIS  44   0.165   9.082   6.289
  382    HD2  HIS  44          2HD       HIS  44  -1.888  12.103   8.259
  383    HE1  HIS  44          1HE       HIS  44   1.888  10.816   6.839
  384    HE2  HIS  44          2HE       HIS  44   0.687  12.353   8.375
  385    QB   HIS  44           QB       HIS  44  -2.535   8.799   7.198
  386    H    ASN  45           H        ASN  45  -4.017   8.937   4.217
  387    HA   ASN  45           HA       ASN  45  -2.389  10.560   2.654
  388   1HB   ASN  45          2HB       ASN  45  -4.391   8.448   1.998
  389   2HB   ASN  45          1HB       ASN  45  -3.827   9.495   0.700
  390   1HD2  ASN  45          1HD2      ASN  45  -2.784   7.790  -0.326
  391   2HD2  ASN  45          2HD2      ASN  45  -1.327   7.098   0.290
  392    QB   ASN  45           QB       ASN  45  -4.109   8.972   1.349
  393    QD   ASN  45           QD2      ASN  45  -2.056   7.444  -0.018
  394    H    ALA  46           H        ALA  46  -5.875  10.615   3.138
  395    HA   ALA  46           HA       ALA  46  -6.476  12.659   1.315
  396   1HB   ALA  46          2HB       ALA  46  -8.491  13.011   2.655
  397   2HB   ALA  46          3HB       ALA  46  -7.786  12.062   3.963
  398   3HB   ALA  46          1HB       ALA  46  -8.187  11.284   2.430
  399    MB   ALA  46           QB       ALA  46  -8.155  12.119   3.016
  400    H    ARG  47           H        ARG  47  -5.355  12.708   4.609
  401    HA   ARG  47           HA       ARG  47  -5.521  15.529   4.976
  402   1HB   ARG  47          2HB       ARG  47  -5.416  13.611   6.740
  403   2HB   ARG  47          1HB       ARG  47  -3.679  13.711   6.425
  404   1HG   ARG  47          2HG       ARG  47  -4.103  14.976   8.391
  405   2HG   ARG  47          1HG       ARG  47  -3.753  16.110   7.086
  406   1HD   ARG  47          2HD       ARG  47  -5.634  16.897   8.404
  407   2HD   ARG  47          1HD       ARG  47  -6.170  16.482   6.778
  408    HE   ARG  47           HE       ARG  47  -6.408  14.375   8.722
  409   1HH1  ARG  47          1HH1      ARG  47  -8.074  17.172   7.322
  410   2HH1  ARG  47          2HH1      ARG  47  -9.632  16.566   7.638
  411   1HH2  ARG  47          1HH2      ARG  47  -8.607  13.589   9.197
  412   2HH2  ARG  47          2HH2      ARG  47  -9.938  14.536   8.742
  413    QB   ARG  47           QB       ARG  47  -4.548  13.661   6.582
  414    QG   ARG  47           QG       ARG  47  -3.928  15.543   7.739
  415    QD   ARG  47           QD       ARG  47  -5.902  16.689   7.591
  416    QH1  ARG  47           QH1      ARG  47  -8.853  16.869   7.480
  417    QH2  ARG  47           QH2      ARG  47  -9.272  14.062   8.970
  418    H    ALA  48           H        ALA  48  -2.803  13.326   4.405
  419    HA   ALA  48           HA       ALA  48  -0.975  15.483   4.301
  420   1HB   ALA  48          2HB       ALA  48  -0.330  13.331   5.177
  421   2HB   ALA  48          3HB       ALA  48   0.701  13.900   3.848
  422   3HB   ALA  48          1HB       ALA  48  -0.487  12.618   3.562
  423    MB   ALA  48           QB       ALA  48  -0.039  13.283   4.196
  424    H    GLN  49           H        GLN  49  -3.160  14.431   2.062
  425    HA   GLN  49           HA       GLN  49  -3.627  15.192  -0.046
  426   1HB   GLN  49          2HB       GLN  49  -0.882  16.437   0.051
  427   2HB   GLN  49          1HB       GLN  49  -2.141  16.840  -1.144
  428   1HG   GLN  49          2HG       GLN  49  -3.266  18.068   0.423
  429   2HG   GLN  49          1HG       GLN  49  -2.660  16.984   1.700
  430   1HE2  GLN  49          1HE2      GLN  49  -0.725  17.303   2.596
  431   2HE2  GLN  49          2HE2      GLN  49   0.249  18.684   2.445
  432    QB   GLN  49           QB       GLN  49  -1.511  16.638  -0.547
  433    QG   GLN  49           QG       GLN  49  -2.963  17.526   1.061
  434    QE   GLN  49           QE2      GLN  49  -0.238  17.993   2.520
  435    H    LEU  50           H        LEU  50  -1.976  12.914   0.809
  436    HA   LEU  50           HA       LEU  50  -0.467  12.028  -1.467
  437   1HB   LEU  50          2HB       LEU  50  -1.174  10.997   1.212
  438   2HB   LEU  50          1HB       LEU  50  -0.686   9.838  -0.003
  439    HG   LEU  50           HG       LEU  50   1.449  10.801  -0.164
  440   1HD1  LEU  50          3HD1      LEU  50   0.532  12.933   1.749
  441   2HD1  LEU  50          2HD1      LEU  50   2.190  12.706   1.189
  442   3HD1  LEU  50          1HD1      LEU  50   0.926  13.155   0.046
  443   1HD2  LEU  50          1HD2      LEU  50   1.079   9.256   1.676
  444   2HD2  LEU  50          3HD2      LEU  50   2.324  10.446   2.051
  445   3HD2  LEU  50          2HD2      LEU  50   0.707  10.614   2.737
  446    MD1  LEU  50           QD1      LEU  50   1.216  12.931   0.995
  447    MD2  LEU  50           QD2      LEU  50   1.370  10.105   2.155
  448    QB   LEU  50           QB       LEU  50  -0.930  10.417   0.605
  449    QD   LEU  50           QQD      LEU  50   1.293  11.518   1.575
  450    H    THR  51           H        THR  51  -1.131  10.676  -3.041
  451    HA   THR  51           HA       THR  51  -3.822   9.599  -2.890
  452    HB   THR  51           HB       THR  51  -3.923   9.997  -5.356
  453    HG1  THR  51          1HG       THR  51  -1.913  10.266  -6.164
  454   1HG2  THR  51          1HG2      THR  51  -4.720  11.525  -3.669
  455   2HG2  THR  51          3HG2      THR  51  -3.155  12.359  -3.693
  456   3HG2  THR  51          2HG2      THR  51  -4.186  12.373  -5.148
  457    MG   THR  51           QG2      THR  51  -4.020  12.086  -4.170
  458    H    GLY  52           H        GLY  52  -4.065   7.490  -4.142
  459   1HA   GLY  52          1HA       GLY  52  -2.375   5.791  -2.824
  460   2HA   GLY  52          2HA       GLY  52  -1.690   5.975  -4.433
  461    QA   GLY  52           QA       GLY  52  -2.033   5.883  -3.628
  462    H    ALA  53           H        ALA  53  -2.120   3.676  -4.040
  463    HA   ALA  53           HA       ALA  53  -4.710   2.681  -4.100
  464   1HB   ALA  53          2HB       ALA  53  -4.731   3.429  -6.456
  465   2HB   ALA  53          3HB       ALA  53  -4.769   1.668  -6.344
  466   3HB   ALA  53          1HB       ALA  53  -3.267   2.496  -6.757
  467    MB   ALA  53           QB       ALA  53  -4.256   2.531  -6.519
  468    H    LEU  54           H        LEU  54  -4.671   0.345  -4.259
  469    HA   LEU  54           HA       LEU  54  -2.032  -0.722  -3.652
  470   1HB   LEU  54          2HB       LEU  54  -3.118  -0.231  -1.542
  471   2HB   LEU  54          1HB       LEU  54  -4.587  -1.002  -2.065
  472    HG   LEU  54           HG       LEU  54  -2.065  -2.644  -1.612
  473   1HD1  LEU  54          3HD1      LEU  54  -2.540  -1.316   0.395
  474   2HD1  LEU  54          2HD1      LEU  54  -4.192  -1.964   0.331
  475   3HD1  LEU  54          1HD1      LEU  54  -2.840  -3.051   0.602
  476   1HD2  LEU  54          1HD2      LEU  54  -5.020  -3.237  -1.546
  477   2HD2  LEU  54          3HD2      LEU  54  -3.868  -3.794  -2.771
  478   3HD2  LEU  54          2HD2      LEU  54  -3.751  -4.349  -1.093
  479    MD1  LEU  54           QD1      LEU  54  -3.190  -2.110   0.443
  480    MD2  LEU  54           QD2      LEU  54  -4.213  -3.793  -1.803
  481    QB   LEU  54           QB       LEU  54  -3.853  -0.616  -1.803
  482    QD   LEU  54           QQD      LEU  54  -3.702  -2.952  -0.680
  483    H    PHE  55           H        PHE  55  -1.671  -2.702  -4.399
  484    HA   PHE  55           HA       PHE  55  -3.881  -4.106  -5.679
  485   1HB   PHE  55          2HB       PHE  55  -1.063  -3.763  -6.754
  486   2HB   PHE  55          1HB       PHE  55  -2.231  -4.900  -7.408
  487    HD1  PHE  55          1HD       PHE  55  -4.328  -3.987  -8.448
  488    HD2  PHE  55          2HD       PHE  55  -1.045  -1.502  -7.415
  489    HE1  PHE  55          1HE       PHE  55  -5.159  -2.261  -9.987
  490    HE2  PHE  55          2HE       PHE  55  -1.872   0.231  -8.953
  491    HZ   PHE  55           HZ       PHE  55  -3.931  -0.149 -10.241
  492    QB   PHE  55           QB       PHE  55  -1.647  -4.332  -7.081
  493    QD   PHE  55           QD       PHE  55  -2.686  -2.745  -7.932
  494    QE   PHE  55           QE       PHE  55  -3.515  -1.015  -9.470
  495    QR   PHE  55           QR       PHE  55  -3.267  -1.534  -9.009
  496    H    TYR  56           H        TYR  56  -4.192  -5.793  -4.418
  497    HA   TYR  56           HA       TYR  56  -1.852  -7.239  -3.382
  498   1HB   TYR  56          2HB       TYR  56  -3.231  -6.120  -1.610
  499   2HB   TYR  56          1HB       TYR  56  -4.650  -6.974  -2.137
  500    HD1  TYR  56          1HD       TYR  56  -3.053  -9.733  -2.410
  501    HD2  TYR  56          2HD       TYR  56  -3.363  -6.794   0.662
  502    HE1  TYR  56          1HE       TYR  56  -2.583 -11.442  -0.730
  503    HE2  TYR  56          2HE       TYR  56  -2.891  -8.508   2.344
  504    HH   TYR  56           HH       TYR  56  -3.080 -10.987   2.567
  505    QB   TYR  56           QB       TYR  56  -3.940  -6.547  -1.873
  506    QD   TYR  56           QD       TYR  56  -3.208  -8.264  -0.874
  507    QE   TYR  56           QE       TYR  56  -2.737  -9.975   0.807
  508    QR   TYR  56           QR       TYR  56  -2.972  -9.119  -0.034
  509    H    SER  57           H        SER  57  -1.642  -9.061  -4.526
  510    HA   SER  57           HA       SER  57  -4.085 -10.433  -5.267
  511   1HB   SER  57          2HB       SER  57  -2.937 -11.115  -7.423
  512   2HB   SER  57          1HB       SER  57  -3.371  -9.411  -7.313
  513    HG   SER  57           HG       SER  57  -0.942 -10.652  -7.415
  514    QB   SER  57           QB       SER  57  -3.154 -10.263  -7.368
  515    H    GLN  58           H        GLN  58  -4.054 -11.915  -3.776
  516    HA   GLN  58           HA       GLN  58  -3.690 -13.807  -2.719
  517   1HB   GLN  58          2HB       GLN  58  -3.320 -14.843  -4.903
  518   2HB   GLN  58          1HB       GLN  58  -1.619 -14.414  -4.838
  519   1HG   GLN  58          2HG       GLN  58  -1.960 -16.760  -4.291
  520   2HG   GLN  58          1HG       GLN  58  -1.308 -15.876  -2.912
  521   1HE2  GLN  58          1HE2      GLN  58  -4.054 -17.499  -4.223
  522   2HE2  GLN  58          2HE2      GLN  58  -4.941 -17.595  -2.741
  523    QB   GLN  58           QB       GLN  58  -2.470 -14.629  -4.871
  524    QG   GLN  58           QG       GLN  58  -1.634 -16.318  -3.602
  525    QE   GLN  58           QE2      GLN  58  -4.497 -17.547  -3.482
  526    H    GLY  59           H        GLY  59  -0.339 -13.209  -3.651
  527   1HA   GLY  59          1HA       GLY  59   1.295 -13.919  -1.906
  528   2HA   GLY  59          2HA       GLY  59   0.249 -13.093  -0.764
  529    QA   GLY  59           QA       GLY  59   0.772 -13.506  -1.335
  530    H    VAL  60           H        VAL  60   0.968 -11.815  -3.948
  531    HA   VAL  60           HA       VAL  60   2.959 -10.147  -2.766
  532    HB   VAL  60           HB       VAL  60   3.407  -9.188  -4.922
  533   1HG1  VAL  60          3HG1      VAL  60   4.437 -11.290  -4.457
  534   2HG1  VAL  60          2HG1      VAL  60   3.056 -12.160  -5.117
  535   3HG1  VAL  60          1HG1      VAL  60   4.059 -11.156  -6.171
  536   1HG2  VAL  60          3HG2      VAL  60   1.135  -9.005  -5.811
  537   2HG2  VAL  60          2HG2      VAL  60   2.196  -9.835  -6.944
  538   3HG2  VAL  60          1HG2      VAL  60   1.050 -10.760  -5.970
  539    MG1  VAL  60           QG1      VAL  60   3.851 -11.535  -5.248
  540    MG2  VAL  60           QG2      VAL  60   1.460  -9.867  -6.242
  541    QG   VAL  60           QQG      VAL  60   2.656 -10.701  -5.745
  542    H    PHE  61           H        PHE  61   2.781  -8.309  -2.033
  543    HA   PHE  61           HA       PHE  61   0.149  -7.008  -1.952
  544   1HB   PHE  61          2HB       PHE  61   1.392  -8.163  -0.072
  545   2HB   PHE  61          1HB       PHE  61   2.560  -6.893  -0.198
  546    HD1  PHE  61          1HD       PHE  61   2.228  -6.726   2.160
  547    HD2  PHE  61          2HD       PHE  61  -0.911  -5.854  -0.567
  548    HE1  PHE  61          1HE       PHE  61   1.037  -5.707   3.959
  549    HE2  PHE  61          2HE       PHE  61  -2.175  -4.765   1.252
  550    HZ   PHE  61           HZ       PHE  61  -1.204  -4.691   3.521
  551    QB   PHE  61           QB       PHE  61   1.976  -7.528  -0.135
  552    QD   PHE  61           QD       PHE  61   0.659  -6.290   0.796
  553    QE   PHE  61           QE       PHE  61  -0.569  -5.236   2.605
  554    QR   PHE  61           QR       PHE  61  -0.205  -5.549   2.065
  555    H    PHE  62           H        PHE  62   0.325  -5.305  -3.518
  556    HA   PHE  62           HA       PHE  62   2.844  -3.819  -3.549
  557   1HB   PHE  62          2HB       PHE  62   2.267  -4.880  -5.709
  558   2HB   PHE  62          1HB       PHE  62   0.720  -4.045  -5.699
  559    HD1  PHE  62          1HD       PHE  62   4.338  -3.693  -6.181
  560    HD2  PHE  62          2HD       PHE  62   0.586  -1.683  -6.233
  561    HE1  PHE  62          1HE       PHE  62   5.366  -1.798  -7.374
  562    HE2  PHE  62          2HE       PHE  62   1.606   0.205  -7.423
  563    HZ   PHE  62           HZ       PHE  62   3.994   0.150  -7.998
  564    QB   PHE  62           QB       PHE  62   1.494  -4.462  -5.704
  565    QD   PHE  62           QD       PHE  62   2.462  -2.688  -6.207
  566    QE   PHE  62           QE       PHE  62   3.486  -0.796  -7.399
  567    QR   PHE  62           QR       PHE  62   3.178  -1.364  -7.042
  568    H    GLN  63           H        GLN  63   2.816  -1.818  -2.905
  569    HA   GLN  63           HA       GLN  63   0.303  -0.322  -2.728
  570   1HB   GLN  63          2HB       GLN  63   0.695  -1.324  -0.523
  571   2HB   GLN  63          1HB       GLN  63   2.339  -0.716  -0.526
  572   1HG   GLN  63          2HG       GLN  63   1.225   0.781   0.856
  573   2HG   GLN  63          1HG       GLN  63   1.277   1.598  -0.684
  574   1HE2  GLN  63          1HE2      GLN  63  -0.741   0.007   1.596
  575   2HE2  GLN  63          2HE2      GLN  63  -2.254   0.500   0.923
  576    QB   GLN  63           QB       GLN  63   1.517  -1.020  -0.524
  577    QG   GLN  63           QG       GLN  63   1.251   1.190   0.086
  578    QE   GLN  63           QE2      GLN  63  -1.498   0.253   1.260
  579    H    TRP  64           H        TRP  64   0.692   1.755  -3.496
  580    HA   TRP  64           HA       TRP  64   3.317   2.748  -3.009
  581   1HB   TRP  64          2HB       TRP  64   3.842   3.434  -5.146
  582   2HB   TRP  64          1HB       TRP  64   3.148   1.818  -5.431
  583    HD1  TRP  64           HD       TRP  64   3.324   5.204  -6.615
  584    HE1  TRP  64          1HE       TRP  64   1.507   5.704  -8.311
  585    HE3  TRP  64          3HE       TRP  64   0.322   1.220  -5.700
  586    HZ2  TRP  64          2HZ       TRP  64  -0.931   4.563  -9.150
  587    HZ3  TRP  64          3HZ       TRP  64  -1.760   1.024  -6.974
  588    HH2  TRP  64           HH       TRP  64  -2.349   2.652  -8.676
  589    QB   TRP  64           QB       TRP  64   3.495   2.626  -5.288
  590    H    LEU  65           H        LEU  65   3.283   5.202  -3.358
  591    HA   LEU  65           HA       LEU  65   0.623   6.328  -3.244
  592   1HB   LEU  65          2HB       LEU  65   1.051   7.528  -1.152
  593   2HB   LEU  65          1HB       LEU  65   0.958   5.792  -0.936
  594    HG   LEU  65           HG       LEU  65   3.589   7.137  -1.232
  595   1HD1  LEU  65          2HD1      LEU  65   1.947   6.844   1.292
  596   2HD1  LEU  65          1HD1      LEU  65   3.668   7.274   1.266
  597   3HD1  LEU  65          3HD1      LEU  65   2.480   8.348   0.534
  598   1HD2  LEU  65          3HD2      LEU  65   3.579   4.701  -1.286
  599   2HD2  LEU  65          2HD2      LEU  65   4.377   5.263   0.183
  600   3HD2  LEU  65          1HD2      LEU  65   2.723   4.646   0.253
  601    MD1  LEU  65           QD1      LEU  65   2.698   7.489   1.031
  602    MD2  LEU  65           QD2      LEU  65   3.560   4.870  -0.283
  603    QB   LEU  65           QB       LEU  65   1.005   6.660  -1.044
  604    QD   LEU  65           QQD      LEU  65   3.129   6.180   0.374
  605    H    GLU  66           H        GLU  66   0.491   8.285  -4.027
  606    HA   GLU  66           HA       GLU  66   2.888   9.671  -5.009
  607   1HB   GLU  66          2HB       GLU  66  -0.043  10.384  -5.282
  608   2HB   GLU  66          1HB       GLU  66   1.291  11.041  -6.195
  609   1HG   GLU  66          2HG       GLU  66   1.505   8.960  -7.428
  610   2HG   GLU  66          1HG       GLU  66   0.244   8.219  -6.436
  611    QB   GLU  66           QB       GLU  66   0.624  10.712  -5.739
  612    QG   GLU  66           QG       GLU  66   0.874   8.590  -6.932
  613    H    GLY  67           H        GLY  67   3.631  11.300  -3.632
  614   1HA   GLY  67          1HA       GLY  67   2.532  11.972  -1.217
  615   2HA   GLY  67          2HA       GLY  67   1.747  13.028  -2.392
  616    QA   GLY  67           QA       GLY  67   2.139  12.500  -1.805
  617    H    HIS  68           H        HIS  68   3.020  14.544  -0.760
  618    HA   HIS  68           HA       HIS  68   5.361  15.479  -2.093
  619   1HB   HIS  68          2HB       HIS  68   4.053  17.138  -0.874
  620   2HB   HIS  68          1HB       HIS  68   4.182  16.242   0.613
  621    HD1  HIS  68          1HD       HIS  68   6.202  16.605   2.078
  622    HD2  HIS  68          2HD       HIS  68   6.165  18.455  -1.538
  623    HE1  HIS  68          1HE       HIS  68   8.284  17.924   2.152
  624    HE2  HIS  68          2HE       HIS  68   8.393  19.049  -0.140
  625    QB   HIS  68           QB       HIS  68   4.118  16.690  -0.130
  626    HA   PRO  69           HA       PRO  69   8.454  12.477  -1.119
  627   1HB   PRO  69          2HB       PRO  69  10.244  14.521  -0.131
  628   2HB   PRO  69          1HB       PRO  69  10.347  13.554  -1.604
  629   1HG   PRO  69          2HG       PRO  69   9.239  16.248  -1.214
  630   2HG   PRO  69          1HG       PRO  69   9.777  15.467  -2.713
  631   1HD   PRO  69          2HD       PRO  69   7.230  15.977  -2.230
  632   2HD   PRO  69          1HD       PRO  69   7.697  14.471  -3.051
  633    QB   PRO  69           QB       PRO  69  10.295  14.037  -0.867
  634    QG   PRO  69           QG       PRO  69   9.508  15.857  -1.964
  635    QD   PRO  69           QD       PRO  69   7.464  15.224  -2.640
  636    H    ALA  70           H        ALA  70   8.301  14.931   1.442
  637    HA   ALA  70           HA       ALA  70   9.409  13.043   3.278
  638   1HB   ALA  70          2HB       ALA  70   9.969  15.350   3.564
  639   2HB   ALA  70          3HB       ALA  70   9.083  14.709   4.968
  640   3HB   ALA  70          1HB       ALA  70   8.240  15.736   3.797
  641    MB   ALA  70           QB       ALA  70   9.097  15.265   4.110
  642    H    ALA  71           H        ALA  71   6.225  13.922   2.508
  643    HA   ALA  71           HA       ALA  71   5.052  12.810   4.811
  644   1HB   ALA  71          3HB       ALA  71   4.136  12.999   2.010
  645   2HB   ALA  71          2HB       ALA  71   3.049  12.616   3.358
  646   3HB   ALA  71          1HB       ALA  71   3.805  14.225   3.245
  647    MB   ALA  71           QB       ALA  71   3.663  13.280   2.871
  648    H    VAL  72           H        VAL  72   5.936  11.753   1.648
  649    HA   VAL  72           HA       VAL  72   5.013   9.081   1.660
  650    HB   VAL  72           HB       VAL  72   7.549   9.738   0.242
  651   1HG1  VAL  72          1HG1      VAL  72   6.481   7.627  -0.074
  652   2HG1  VAL  72          3HG1      VAL  72   5.012   8.500  -0.561
  653   3HG1  VAL  72          2HG1      VAL  72   6.485   8.604  -1.575
  654   1HG2  VAL  72          3HG2      VAL  72   4.934  10.986  -0.567
  655   2HG2  VAL  72          2HG2      VAL  72   6.436  11.790  -0.056
  656   3HG2  VAL  72          1HG2      VAL  72   6.399  10.877  -1.568
  657    MG1  VAL  72           QG1      VAL  72   5.993   8.244  -0.737
  658    MG2  VAL  72           QG2      VAL  72   5.923  11.218  -0.730
  659    QG   VAL  72           QQG      VAL  72   5.958   9.731  -0.733
  660    H    ALA  73           H        ALA  73   8.066  10.588   2.522
  661    HA   ALA  73           HA       ALA  73   9.353   8.177   3.161
  662   1HB   ALA  73          1HB       ALA  73  10.035  10.948   4.005
  663   2HB   ALA  73          3HB       ALA  73  10.977   9.440   4.200
  664   3HB   ALA  73          2HB       ALA  73  10.613  10.030   2.556
  665    MB   ALA  73           QB       ALA  73  10.541  10.140   3.587
  666    H    GLU  74           H        GLU  74   7.645  10.535   5.145
  667    HA   GLU  74           HA       GLU  74   8.167   9.379   7.682
  668   1HB   GLU  74          2HB       GLU  74   6.872  11.501   7.374
  669   2HB   GLU  74          1HB       GLU  74   5.536  10.553   6.734
  670   1HG   GLU  74          2HG       GLU  74   5.588   9.292   8.944
  671   2HG   GLU  74          1HG       GLU  74   6.619  10.594   9.524
  672    QB   GLU  74           QB       GLU  74   6.204  11.027   7.054
  673    QG   GLU  74           QG       GLU  74   6.104   9.943   9.234
  674    H    VAL  75           H        VAL  75   5.716   8.774   5.291
  675    HA   VAL  75           HA       VAL  75   4.508   6.566   6.424
  676    HB   VAL  75           HB       VAL  75   4.828   7.497   3.565
  677   1HG1  VAL  75          1HG1      VAL  75   3.184   5.154   4.505
  678   2HG1  VAL  75          3HG1      VAL  75   3.160   5.886   2.890
  679   3HG1  VAL  75          2HG1      VAL  75   4.628   5.108   3.473
  680   1HG2  VAL  75          1HG2      VAL  75   2.479   7.411   5.444
  681   2HG2  VAL  75          3HG2      VAL  75   3.405   8.842   4.992
  682   3HG2  VAL  75          2HG2      VAL  75   2.437   7.997   3.782
  683    MG1  VAL  75           QG1      VAL  75   3.657   5.383   3.623
  684    MG2  VAL  75           QG2      VAL  75   2.774   8.083   4.740
  685    QG   VAL  75           QQG      VAL  75   3.215   6.733   4.181
  686    H    MET  76           H        MET  76   7.245   6.638   4.002
  687    HA   MET  76           HA       MET  76   7.817   3.998   3.949
  688   1HB   MET  76          2HB       MET  76   9.716   6.319   3.917
  689   2HB   MET  76          1HB       MET  76  10.179   4.712   3.463
  690   1HG   MET  76          2HG       MET  76   7.920   5.981   2.236
  691   2HG   MET  76          1HG       MET  76   9.519   6.461   1.602
  692   1HE   MET  76          3HE       MET  76   6.625   4.213   1.950
  693   2HE   MET  76          2HE       MET  76   6.903   2.791   0.920
  694   3HE   MET  76          1HE       MET  76   7.693   2.925   2.513
  695    QB   MET  76           QB       MET  76   9.947   5.516   3.690
  696    QG   MET  76           QG       MET  76   8.719   6.221   1.919
  697    ME   MET  76           QE       MET  76   7.074   3.310   1.795
  698    H    SER  77           H        SER  77   9.180   6.347   6.243
  699    HA   SER  77           HA       SER  77  10.766   4.427   7.563
  700   1HB   SER  77          2HB       SER  77  11.083   6.921   7.676
  701   2HB   SER  77          1HB       SER  77   9.692   6.997   8.748
  702    HG   SER  77           HG       SER  77  11.162   5.178   9.791
  703    QB   SER  77           QB       SER  77  10.388   6.959   8.212
  704    H    HIS  78           H        HIS  78   7.441   5.331   8.087
  705    HA   HIS  78           HA       HIS  78   7.146   3.749  10.451
  706   1HB   HIS  78          2HB       HIS  78   5.165   4.767   8.415
  707   2HB   HIS  78          1HB       HIS  78   4.670   3.768   9.771
  708    HD1  HIS  78          1HD       HIS  78   3.670   6.708   9.371
  709    HD2  HIS  78          2HD       HIS  78   6.835   5.556  11.792
  710    HE1  HIS  78          1HE       HIS  78   3.909   8.527  11.077
  711    HE2  HIS  78          2HE       HIS  78   5.869   7.826  12.500
  712    QB   HIS  78           QB       HIS  78   4.918   4.267   9.093
  713    H    ILE  79           H        ILE  79   6.361   3.255   7.125
  714    HA   ILE  79           HA       ILE  79   5.431   0.637   7.235
  715    HB   ILE  79           HB       ILE  79   6.255   2.592   5.239
  716   1HG1  ILE  79          2HG1      ILE  79   3.775   0.934   5.612
  717   2HG1  ILE  79          1HG1      ILE  79   4.029   2.613   6.056
  718   1HG2  ILE  79          3HG2      ILE  79   6.244  -0.265   4.542
  719   2HG2  ILE  79          2HG2      ILE  79   5.808   0.961   3.338
  720   3HG2  ILE  79          1HG2      ILE  79   7.393   0.988   4.138
  721   1HD1  ILE  79          1HD1      ILE  79   4.368   3.093   3.643
  722   2HD1  ILE  79          3HD1      ILE  79   3.783   1.448   3.312
  723   3HD1  ILE  79          2HD1      ILE  79   2.750   2.627   4.146
  724    MG   ILE  79           QG2      ILE  79   6.482   0.561   4.006
  725    MD   ILE  79           QD1      ILE  79   3.634   2.389   3.700
  726    QG   ILE  79           QG1      ILE  79   3.902   1.773   5.834
  727    H    GLN  80           H        GLN  80   8.689   1.709   6.358
  728    HA   GLN  80           HA       GLN  80   9.772  -0.782   6.038
  729   1HB   GLN  80          2HB       GLN  80  10.993   1.860   6.809
  730   2HB   GLN  80          1HB       GLN  80  11.924   0.445   6.310
  731   1HG   GLN  80          2HG       GLN  80   9.842   1.853   4.548
  732   2HG   GLN  80          1HG       GLN  80  11.516   1.993   4.353
  733   1HE2  GLN  80          1HE2      GLN  80   8.944  -0.072   4.064
  734   2HE2  GLN  80          2HE2      GLN  80   9.829  -1.228   3.118
  735    QB   GLN  80           QB       GLN  80  11.458   1.152   6.560
  736    QG   GLN  80           QG       GLN  80  10.679   1.923   4.450
  737    QE   GLN  80           QE2      GLN  80   9.387  -0.650   3.591
  738    H    ARG  81           H        ARG  81   8.693   0.596   8.968
  739    HA   ARG  81           HA       ARG  81  10.273  -1.282  10.562
  740   1HB   ARG  81          2HB       ARG  81   8.079   0.640  11.404
  741   2HB   ARG  81          1HB       ARG  81   9.103  -0.278  12.488
  742   1HG   ARG  81          2HG       ARG  81   9.898   1.980  10.697
  743   2HG   ARG  81          1HG       ARG  81   9.869   1.916  12.465
  744   1HD   ARG  81          2HD       ARG  81  11.663   0.329  12.497
  745   2HD   ARG  81          1HD       ARG  81  11.621   0.178  10.744
  746    HE   ARG  81           HE       ARG  81  12.291   2.701  12.073
  747   1HH1  ARG  81          1HH1      ARG  81  13.075   0.136   9.723
  748   2HH1  ARG  81          2HH1      ARG  81  14.371   0.964   9.044
  749   1HH2  ARG  81          1HH2      ARG  81  14.147   3.801  11.150
  750   2HH2  ARG  81          2HH2      ARG  81  15.037   3.075   9.904
  751    QB   ARG  81           QB       ARG  81   8.591   0.181  11.946
  752    QG   ARG  81           QG       ARG  81   9.883   1.948  11.581
  753    QD   ARG  81           QD       ARG  81  11.642   0.253  11.621
  754    QH1  ARG  81           QH1      ARG  81  13.723   0.550   9.383
  755    QH2  ARG  81           QH2      ARG  81  14.592   3.438  10.527
  756    H    ASP  82           H        ASP  82   8.589  -2.119   8.532
  757    HA   ASP  82           HA       ASP  82   6.248  -3.210   8.753
  758   1HB   ASP  82          2HB       ASP  82   7.427  -3.444   7.059
  759   2HB   ASP  82          1HB       ASP  82   8.754  -4.439   7.636
  760    QB   ASP  82           QB       ASP  82   8.090  -3.942   7.347
  761    H    ARG  83           H        ARG  83   5.493  -5.216   9.042
  762    HA   ARG  83           HA       ARG  83   5.716  -6.930  11.073
  763   1HB   ARG  83          2HB       ARG  83   4.396  -5.737  12.868
  764   2HB   ARG  83          1HB       ARG  83   6.047  -5.162  12.660
  765   1HG   ARG  83          2HG       ARG  83   5.178  -3.365  11.226
  766   2HG   ARG  83          1HG       ARG  83   3.536  -3.843  11.643
  767   1HD   ARG  83          2HD       ARG  83   4.306  -3.686  14.102
  768   2HD   ARG  83          1HD       ARG  83   5.675  -2.785  13.470
  769    HE   ARG  83           HE       ARG  83   3.885  -1.284  12.485
  770   1HH1  ARG  83          1HH1      ARG  83   3.652  -2.995  15.583
  771   2HH1  ARG  83          2HH1      ARG  83   2.577  -1.896  16.289
  772   1HH2  ARG  83          1HH2      ARG  83   2.292   0.176  13.422
  773   2HH2  ARG  83          2HH2      ARG  83   1.757  -0.041  15.029
  774    QB   ARG  83           QB       ARG  83   5.221  -5.449  12.764
  775    QG   ARG  83           QG       ARG  83   4.357  -3.604  11.434
  776    QD   ARG  83           QD       ARG  83   4.991  -3.235  13.786
  777    QH1  ARG  83           QH1      ARG  83   3.114  -2.446  15.936
  778    QH2  ARG  83           QH2      ARG  83   2.024   0.067  14.226
  779    H    ARG  84           H        ARG  84   3.767  -4.505   9.397
  780    HA   ARG  84           HA       ARG  84   1.484  -6.346   9.236
  781   1HB   ARG  84          2HB       ARG  84   1.646  -3.423   8.623
  782   2HB   ARG  84          1HB       ARG  84   0.255  -4.453   8.329
  783   1HG   ARG  84          2HG       ARG  84   0.046  -4.841  10.734
  784   2HG   ARG  84          1HG       ARG  84   1.444  -3.785  11.013
  785   1HD   ARG  84          2HD       ARG  84   0.315  -1.936   9.969
  786   2HD   ARG  84          1HD       ARG  84  -1.047  -2.966   9.553
  787    HE   ARG  84           HE       ARG  84  -0.521  -2.877  12.337
  788   1HH1  ARG  84          1HH1      ARG  84  -2.080  -1.132   9.672
  789   2HH1  ARG  84          2HH1      ARG  84  -3.254  -0.381  10.680
  790   1HH2  ARG  84          1HH2      ARG  84  -2.119  -1.785  13.677
  791   2HH2  ARG  84          2HH2      ARG  84  -3.268  -0.735  12.987
  792    QB   ARG  84           QB       ARG  84   0.951  -3.938   8.476
  793    QG   ARG  84           QG       ARG  84   0.745  -4.313  10.873
  794    QD   ARG  84           QD       ARG  84  -0.366  -2.451   9.761
  795    QH1  ARG  84           QH1      ARG  84  -2.667  -0.756  10.176
  796    QH2  ARG  84           QH2      ARG  84  -2.693  -1.260  13.332
  797    H    HIS  85           H        HIS  85   4.085  -6.244   7.398
  798    HA   HIS  85           HA       HIS  85   2.597  -6.722   4.960
  799   1HB   HIS  85          2HB       HIS  85   5.350  -5.699   4.553
  800   2HB   HIS  85          1HB       HIS  85   3.920  -5.370   3.607
  801    HD1  HIS  85          1HD       HIS  85   3.691  -2.874   3.428
  802    HD2  HIS  85          2HD       HIS  85   5.244  -4.023   7.092
  803    HE1  HIS  85          1HE       HIS  85   4.448  -0.819   4.611
  804    HE2  HIS  85          2HE       HIS  85   5.500  -1.640   6.667
  805    QB   HIS  85           QB       HIS  85   4.635  -5.534   4.080
  806    H    SER  86           H        SER  86   4.916  -7.674   3.638
  807    HA   SER  86           HA       SER  86   5.681  -9.627   5.635
  808   1HB   SER  86          2HB       SER  86   4.712 -10.259   3.452
  809   2HB   SER  86          1HB       SER  86   6.227  -9.816   2.737
  810    HG   SER  86           HG       SER  86   5.884 -12.094   3.360
  811    QB   SER  86           QB       SER  86   5.470 -10.038   3.094
  812    H    ASN  87           H        ASN  87   7.250  -7.674   3.389
  813    HA   ASN  87           HA       ASN  87   9.496  -7.374   5.191
  814   1HB   ASN  87          2HB       ASN  87   9.958  -8.381   2.393
  815   2HB   ASN  87          1HB       ASN  87  11.285  -7.750   3.321
  816   1HD2  ASN  87          1HD2      ASN  87   9.293 -10.384   2.586
  817   2HD2  ASN  87          2HD2      ASN  87   9.976 -11.549   3.654
  818    QB   ASN  87           QB       ASN  87  10.621  -8.066   2.857
  819    QD   ASN  87           QD2      ASN  87   9.634 -10.966   3.120
  820    H    VAL  88           H        VAL  88   7.558  -6.040   3.160
  821    HA   VAL  88           HA       VAL  88   7.598  -4.529   1.552
  822    HB   VAL  88           HB       VAL  88   6.425  -3.642   3.257
  823   1HG1  VAL  88          2HG1      VAL  88   7.992  -3.780   5.029
  824   2HG1  VAL  88          1HG1      VAL  88   8.816  -2.290   4.428
  825   3HG1  VAL  88          3HG1      VAL  88   7.093  -2.217   4.880
  826   1HG2  VAL  88          3HG2      VAL  88   6.889  -2.128   1.374
  827   2HG2  VAL  88          2HG2      VAL  88   6.494  -1.276   2.867
  828   3HG2  VAL  88          1HG2      VAL  88   8.158  -1.374   2.327
  829    MG1  VAL  88           QG1      VAL  88   7.967  -2.762   4.779
  830    MG2  VAL  88           QG2      VAL  88   7.181  -1.593   2.189
  831    QG   VAL  88           QQG      VAL  88   7.574  -2.177   3.484
  832    H    GLU  89           H        GLU  89   8.930  -4.737   0.028
  833    HA   GLU  89           HA       GLU  89  11.308  -3.123   0.199
  834   1HB   GLU  89          2HB       GLU  89  10.544  -5.384  -1.558
  835   2HB   GLU  89          1HB       GLU  89  11.803  -4.253  -2.033
  836   1HG   GLU  89          2HG       GLU  89  12.872  -6.001  -1.053
  837   2HG   GLU  89          1HG       GLU  89  12.894  -4.721   0.113
  838    QB   GLU  89           QB       GLU  89  11.174  -4.818  -1.796
  839    QG   GLU  89           QG       GLU  89  12.883  -5.361  -0.470
  840    H    ILE  90           H        ILE  90  10.817  -1.350  -0.213
  841    HA   ILE  90           HA       ILE  90   9.077  -0.113  -2.134
  842    HB   ILE  90           HB       ILE  90  11.724   1.132  -1.587
  843   1HG1  ILE  90          2HG1      ILE  90  11.234   0.272   0.589
  844   2HG1  ILE  90          1HG1      ILE  90  10.951   2.004   0.599
  845   1HG2  ILE  90          1HG2      ILE  90  10.017   2.427  -2.887
  846   2HG2  ILE  90          3HG2      ILE  90   8.914   2.276  -1.507
  847   3HG2  ILE  90          2HG2      ILE  90  10.370   3.196  -1.336
  848   1HD1  ILE  90          1HD1      ILE  90   8.581   1.605   0.372
  849   2HD1  ILE  90          3HD1      ILE  90   8.881  -0.134   0.381
  850   3HD1  ILE  90          2HD1      ILE  90   9.244   0.833   1.825
  851    MG   ILE  90           QG2      ILE  90   9.767   2.633  -1.910
  852    MD   ILE  90           QD1      ILE  90   8.902   0.768   0.859
  853    QG   ILE  90           QG1      ILE  90  11.093   1.138   0.594
  854    H    LEU  91           H        LEU  91  12.409  -0.096  -2.564
  855    HA   LEU  91           HA       LEU  91  13.788  -0.355  -4.343
  856   1HB   LEU  91          2HB       LEU  91  11.694  -2.333  -5.194
  857   2HB   LEU  91          1HB       LEU  91  13.211  -2.131  -6.031
  858    HG   LEU  91           HG       LEU  91  12.895  -3.017  -3.163
  859   1HD1  LEU  91          2HD1      LEU  91  12.143  -4.715  -4.751
  860   2HD1  LEU  91          1HD1      LEU  91  13.663  -4.563  -5.638
  861   3HD1  LEU  91          3HD1      LEU  91  13.662  -5.194  -3.993
  862   1HD2  LEU  91          2HD2      LEU  91  15.359  -2.822  -4.899
  863   2HD2  LEU  91          1HD2      LEU  91  14.987  -1.796  -3.516
  864   3HD2  LEU  91          3HD2      LEU  91  15.291  -3.515  -3.281
  865    MD1  LEU  91           QD1      LEU  91  13.156  -4.824  -4.794
  866    MD2  LEU  91           QD2      LEU  91  15.213  -2.711  -3.899
  867    QB   LEU  91           QB       LEU  91  12.452  -2.232  -5.613
  868    QD   LEU  91           QQD      LEU  91  14.184  -3.768  -4.346
  869    H    ALA  92           H        ALA  92  10.791   1.066  -4.848
  870    HA   ALA  92           HA       ALA  92  11.958   2.331  -7.206
  871   1HB   ALA  92          2HB       ALA  92  10.388   0.736  -8.105
  872   2HB   ALA  92          3HB       ALA  92   9.752   2.381  -8.282
  873   3HB   ALA  92          1HB       ALA  92   9.131   1.333  -7.012
  874    MB   ALA  92           QB       ALA  92   9.757   1.484  -7.799
  875    H    GLU  93           H        GLU  93  12.113   4.422  -6.738
  876    HA   GLU  93           HA       GLU  93   9.805   5.711  -5.507
  877   1HB   GLU  93          2HB       GLU  93  12.650   6.340  -4.584
  878   2HB   GLU  93          1HB       GLU  93  11.133   7.037  -4.030
  879   1HG   GLU  93          2HG       GLU  93  10.419   5.109  -3.070
  880   2HG   GLU  93          1HG       GLU  93  11.829   4.197  -3.647
  881    QB   GLU  93           QB       GLU  93  11.892   6.689  -4.307
  882    QG   GLU  93           QG       GLU  93  11.124   4.653  -3.358
  883    H    GLU  94           H        GLU  94   9.174   7.048  -6.950
  884    HA   GLU  94           HA       GLU  94  11.170   8.400  -8.608
  885   1HB   GLU  94          2HB       GLU  94   9.359   8.369 -10.399
  886   2HB   GLU  94          1HB       GLU  94  10.157   6.838 -10.040
  887   1HG   GLU  94          2HG       GLU  94   8.248   6.164  -8.687
  888   2HG   GLU  94          1HG       GLU  94   7.490   7.727  -8.988
  889    QB   GLU  94           QB       GLU  94   9.758   7.604 -10.219
  890    QG   GLU  94           QG       GLU  94   7.869   6.945  -8.837
  891    H    SER  95           H        SER  95  11.138  10.527  -8.572
  892    HA   SER  95           HA       SER  95   9.208  12.028  -7.125
  893   1HB   SER  95          2HB       SER  95  11.292  12.986  -9.101
  894   2HB   SER  95          1HB       SER  95  10.458  13.952  -7.876
  895    HG   SER  95           HG       SER  95  12.705  12.673  -7.572
  896    QB   SER  95           QB       SER  95  10.875  13.469  -8.489
  897    H    ILE  96           H        ILE  96   7.392  12.825  -7.763
  898    HA   ILE  96           HA       ILE  96   6.711  12.659 -10.641
  899    HB   ILE  96           HB       ILE  96   4.488  12.125 -10.038
  900   1HG1  ILE  96          2HG1      ILE  96   5.594  11.223  -7.385
  901   2HG1  ILE  96          1HG1      ILE  96   4.825  12.782  -7.577
  902   1HG2  ILE  96          1HG2      ILE  96   6.000  10.467 -10.952
  903   2HG2  ILE  96          3HG2      ILE  96   6.649  10.127  -9.348
  904   3HG2  ILE  96          2HG2      ILE  96   4.984   9.694  -9.738
  905   1HD1  ILE  96          2HD1      ILE  96   3.415  10.242  -8.283
  906   2HD1  ILE  96          1HD1      ILE  96   3.454  10.968  -6.650
  907   3HD1  ILE  96          3HD1      ILE  96   2.819  11.892  -7.976
  908    MG   ILE  96           QG2      ILE  96   5.878  10.096 -10.012
  909    MD   ILE  96           QD1      ILE  96   3.229  11.034  -7.636
  910    QG   ILE  96           QG1      ILE  96   5.210  12.002  -7.481
  911    H    ALA  97           H        ALA  97   4.728  13.663 -11.293
  912    HA   ALA  97           HA       ALA  97   4.362  16.272 -10.043
  913   1HB   ALA  97          1HB       ALA  97   4.857  16.261 -12.446
  914   2HB   ALA  97          2HB       ALA  97   3.196  16.849 -12.086
  915   3HB   ALA  97          3HB       ALA  97   3.445  15.196 -12.643
  916    MB   ALA  97           QB       ALA  97   3.832  16.102 -12.392
  917    H    LYS  98           H        LYS  98   3.337  13.516  -9.802
  918    HA   LYS  98           HA       LYS  98   1.512  12.312  -9.155
  919   1HB   LYS  98          2HB       LYS  98   2.096  14.051  -7.565
  920   2HB   LYS  98          1HB       LYS  98   0.746  14.967  -8.180
  921   1HG   LYS  98          2HG       LYS  98   0.006  12.302  -7.490
  922   2HG   LYS  98          1HG       LYS  98   0.941  13.107  -6.268
  923   1HD   LYS  98          2HD       LYS  98  -0.968  14.905  -7.228
  924   2HD   LYS  98          1HD       LYS  98  -1.762  13.462  -6.512
  925   1HE   LYS  98          2HE       LYS  98  -0.233  13.650  -4.747
  926   2HE   LYS  98          1HE       LYS  98   0.385  15.161  -5.435
  927   1HZ   LYS  98          2HZ       LYS  98  -2.473  14.790  -4.575
  928   2HZ   LYS  98          1HZ       LYS  98  -1.328  15.625  -3.653
  929   3HZ   LYS  98          3HZ       LYS  98  -1.786  16.194  -5.163
  930    QB   LYS  98           QB       LYS  98   1.421  14.509  -7.873
  931    QD   LYS  98           QD       LYS  98  -1.365  14.183  -6.870
  932    QG   LYS  98           QG       LYS  98   0.473  12.704  -6.879
  933    QE   LYS  98           QE       LYS  98   0.076  14.405  -5.091
  934    QZ   LYS  98           QZ       LYS  98  -1.862  15.537  -4.464
  935    H    ARG  99           H        ARG  99  -1.032  12.897  -8.886
  936    HA   ARG  99           HA       ARG  99  -3.020  13.365  -9.842
  937   1HB   ARG  99          2HB       ARG  99  -1.312  14.709 -11.862
  938   2HB   ARG  99          1HB       ARG  99  -2.945  14.280 -12.364
  939   1HG   ARG  99          2HG       ARG  99  -2.220  15.974  -9.972
  940   2HG   ARG  99          1HG       ARG  99  -2.769  16.587 -11.541
  941   1HD   ARG  99          2HD       ARG  99  -4.334  14.869  -9.601
  942   2HD   ARG  99          1HD       ARG  99  -4.660  16.534 -10.069
  943    HE   ARG  99           HE       ARG  99  -4.657  15.199 -12.417
  944   1HH1  ARG  99          1HH1      ARG  99  -6.580  14.879  -9.449
  945   2HH1  ARG  99          2HH1      ARG  99  -7.883  14.135 -10.267
  946   1HH2  ARG  99          1HH2      ARG  99  -6.422  14.185 -13.448
  947   2HH2  ARG  99          2HH2      ARG  99  -7.781  13.684 -12.533
  948    QB   ARG  99           QB       ARG  99  -2.128  14.495 -12.113
  949    QG   ARG  99           QG       ARG  99  -2.494  16.281 -10.756
  950    QD   ARG  99           QD       ARG  99  -4.497  15.701  -9.835
  951    QH1  ARG  99           QH1      ARG  99  -7.232  14.507  -9.858
  952    QH2  ARG  99           QH2      ARG  99  -7.102  13.934 -12.990
  953    H    ARG 100           H        ARG 100  -1.497  10.934 -10.000
  954    HA   ARG 100           HA       ARG 100  -2.575   9.827 -12.425
  955   1HB   ARG 100          2HB       ARG 100  -0.833   8.616 -10.298
  956   2HB   ARG 100          1HB       ARG 100  -1.322   7.810 -11.794
  957   1HG   ARG 100          2HG       ARG 100  -0.215   9.495 -13.117
  958   2HG   ARG 100          1HG       ARG 100   0.167  10.399 -11.647
  959   1HD   ARG 100          2HD       ARG 100   1.643   8.624 -10.907
  960   2HD   ARG 100          1HD       ARG 100   1.140   7.599 -12.251
  961    HE   ARG 100           HE       ARG 100   2.120   9.800 -13.465
  962   1HH1  ARG 100          1HH1      ARG 100   3.472   7.544 -11.098
  963   2HH1  ARG 100          2HH1      ARG 100   5.072   7.683 -11.591
  964   1HH2  ARG 100          1HH2      ARG 100   4.388  10.045 -14.195
  965   2HH2  ARG 100          2HH2      ARG 100   5.602   9.170 -13.398
  966    QB   ARG 100           QB       ARG 100  -1.077   8.213 -11.046
  967    QG   ARG 100           QG       ARG 100  -0.024   9.947 -12.382
  968    QD   ARG 100           QD       ARG 100   1.391   8.112 -11.579
  969    QH1  ARG 100           QH1      ARG 100   4.272   7.613 -11.344
  970    QH2  ARG 100           QH2      ARG 100   4.995   9.607 -13.796
  971    H    PHE 101           H        PHE 101  -2.945   9.186  -8.867
  972    HA   PHE 101           HA       PHE 101  -5.397   7.891  -9.736
  973   1HB   PHE 101          2HB       PHE 101  -3.570   7.113  -7.515
  974   2HB   PHE 101          1HB       PHE 101  -5.270   6.654  -7.443
  975    HD1  PHE 101          1HD       PHE 101  -5.851   4.626  -8.340
  976    HD2  PHE 101          2HD       PHE 101  -2.426   6.614  -9.875
  977    HE1  PHE 101          1HE       PHE 101  -5.421   2.719  -9.847
  978    HE2  PHE 101          2HE       PHE 101  -1.993   4.715 -11.372
  979    HZ   PHE 101           HZ       PHE 101  -3.485   2.774 -11.358
  980    QB   PHE 101           QB       PHE 101  -4.420   6.883  -7.479
  981    QD   PHE 101           QD       PHE 101  -4.138   5.620  -9.108
  982    QE   PHE 101           QE       PHE 101  -3.707   3.717 -10.610
  983    QR   PHE 101           QR       PHE 101  -3.835   4.290 -10.158
  984    H    ALA 102           H        ALA 102  -4.404  10.399  -8.126
  985    HA   ALA 102           HA       ALA 102  -5.380  12.207  -7.089
  986   1HB   ALA 102          3HB       ALA 102  -6.817  12.104  -9.095
  987   2HB   ALA 102          1HB       ALA 102  -7.597  12.861  -7.705
  988   3HB   ALA 102          2HB       ALA 102  -8.008  11.206  -8.149
  989    MB   ALA 102           QB       ALA 102  -7.474  12.057  -8.316
  990    H    GLY 103           H        GLY 103  -6.542   9.246  -6.070
  991   1HA   GLY 103          1HA       GLY 103  -8.130   9.436  -3.964
  992   2HA   GLY 103          2HA       GLY 103  -6.690  10.265  -3.352
  993    QA   GLY 103           QA       GLY 103  -7.410   9.851  -3.658
  994    H    TRP 104           H        TRP 104  -6.574   8.285  -1.827
  995    HA   TRP 104           HA       TRP 104  -5.114   6.229  -3.209
  996   1HB   TRP 104          2HB       TRP 104  -4.101   6.942  -1.123
  997   2HB   TRP 104          1HB       TRP 104  -5.595   6.718  -0.253
  998    HD1  TRP 104           HD       TRP 104  -2.454   4.828  -1.243
  999    HE1  TRP 104          1HE       TRP 104  -2.591   2.475  -0.321
 1000    HE3  TRP 104          3HE       TRP 104  -7.298   4.884   0.277
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.606   0.850   0.992
 1002    HZ3  TRP 104          3HZ       TRP 104  -8.224   3.161   1.266
 1003    HH2  TRP 104           HH       TRP 104  -7.025   1.102   1.679
 1004    QB   TRP 104           QB       TRP 104  -4.848   6.830  -0.688
 1005    H    HIS 105           H        HIS 105  -5.690   4.141  -3.481
 1006    HA   HIS 105           HA       HIS 105  -8.569   3.606  -3.138
 1007   1HB   HIS 105          2HB       HIS 105  -6.621   2.967  -5.294
 1008   2HB   HIS 105          1HB       HIS 105  -8.239   2.235  -5.248
 1009    HD1  HIS 105          1HD       HIS 105 -10.208   3.939  -5.846
 1010    HD2  HIS 105          2HD       HIS 105  -6.390   5.482  -6.244
 1011    HE1  HIS 105          1HE       HIS 105 -10.469   6.052  -7.178
 1012    HE2  HIS 105          2HE       HIS 105  -8.141   6.878  -7.545
 1013    QB   HIS 105           QB       HIS 105  -7.430   2.601  -5.271
 1014    H    MET 106           H        MET 106  -9.108   1.329  -2.812
 1015    HA   MET 106           HA       MET 106  -6.833  -0.267  -1.863
 1016   1HB   MET 106          2HB       MET 106  -8.287   0.521   0.009
 1017   2HB   MET 106          1HB       MET 106  -9.650  -0.294  -0.743
 1018   1HG   MET 106          2HG       MET 106  -8.639  -1.584   1.130
 1019   2HG   MET 106          1HG       MET 106  -8.597  -2.456  -0.410
 1020   1HE   MET 106          3HE       MET 106  -6.721  -4.115   0.634
 1021   2HE   MET 106          2HE       MET 106  -5.136  -3.591   1.151
 1022   3HE   MET 106          1HE       MET 106  -6.573  -3.242   2.167
 1023    QB   MET 106           QB       MET 106  -8.969   0.113  -0.367
 1024    QG   MET 106           QG       MET 106  -8.618  -2.020   0.360
 1025    ME   MET 106           QE       MET 106  -6.143  -3.649   1.317
 1026    H    GLN 107           H        GLN 107  -6.784  -2.363  -2.510
 1027    HA   GLN 107           HA       GLN 107  -8.516  -2.957  -4.742
 1028   1HB   GLN 107          2HB       GLN 107  -6.019  -3.449  -4.697
 1029   2HB   GLN 107          1HB       GLN 107  -6.410  -4.804  -3.639
 1030   1HG   GLN 107          2HG       GLN 107  -6.182  -5.499  -5.976
 1031   2HG   GLN 107          1HG       GLN 107  -7.816  -5.771  -5.365
 1032   1HE2  GLN 107          1HE2      GLN 107  -5.858  -3.781  -7.450
 1033   2HE2  GLN 107          2HE2      GLN 107  -7.150  -3.060  -8.314
 1034    QB   GLN 107           QB       GLN 107  -6.214  -4.127  -4.168
 1035    QG   GLN 107           QG       GLN 107  -6.999  -5.635  -5.671
 1036    QE   GLN 107           QE2      GLN 107  -6.504  -3.421  -7.882
 1037    H    LEU 108           H        LEU 108  -7.712  -4.534  -1.632
 1038    HA   LEU 108           HA       LEU 108 -10.362  -5.661  -1.767
 1039   1HB   LEU 108          2HB       LEU 108  -9.412  -7.864  -0.831
 1040   2HB   LEU 108          1HB       LEU 108  -9.288  -7.542  -2.537
 1041    HG   LEU 108           HG       LEU 108  -6.872  -6.866  -2.109
 1042   1HD1  LEU 108          2HD1      LEU 108  -6.964  -6.461   0.269
 1043   2HD1  LEU 108          1HD1      LEU 108  -7.336  -8.155   0.572
 1044   3HD1  LEU 108          3HD1      LEU 108  -5.775  -7.708  -0.114
 1045   1HD2  LEU 108          1HD2      LEU 108  -7.687  -9.701  -1.504
 1046   2HD2  LEU 108          3HD2      LEU 108  -7.455  -8.998  -3.102
 1047   3HD2  LEU 108          2HD2      LEU 108  -6.083  -9.182  -2.018
 1048    MD1  LEU 108           QD1      LEU 108  -6.692  -7.442   0.242
 1049    MD2  LEU 108           QD2      LEU 108  -7.075  -9.294  -2.208
 1050    QB   LEU 108           QB       LEU 108  -9.350  -7.703  -1.684
 1051    QD   LEU 108           QQD      LEU 108  -6.884  -8.368  -0.983
 1052    H    SER 109           H        SER 109 -11.529  -5.272  -0.045
 1053    HA   SER 109           HA       SER 109 -10.174  -4.308   2.276
 1054   1HB   SER 109          2HB       SER 109 -12.607  -3.997   3.038
 1055   2HB   SER 109          1HB       SER 109 -12.080  -3.051   1.648
 1056    HG   SER 109           HG       SER 109 -14.132  -4.160   1.441
 1057    QB   SER 109           QB       SER 109 -12.344  -3.524   2.343
 1058    H    CYS 110           H        CYS 110 -12.800  -6.659   1.864
 1059    HA   CYS 110           HA       CYS 110 -12.244  -7.953   4.372
 1060   1HB   CYS 110          2HB       CYS 110 -14.118  -9.432   3.630
 1061   2HB   CYS 110          1HB       CYS 110 -14.512  -7.710   3.628
 1062    HG   CYS 110           HG       CYS 110 -15.749  -8.429   1.397
 1063    QB   CYS 110           QB       CYS 110 -14.315  -8.571   3.629
 1064    H    SER 111           H        SER 111 -10.251  -8.078   2.113
 1065    HA   SER 111           HA       SER 111  -8.800  -9.419   1.080
 1066   1HB   SER 111          2HB       SER 111  -9.862 -11.631   2.866
 1067   2HB   SER 111          1HB       SER 111  -8.336 -11.662   1.974
 1068    HG   SER 111           HG       SER 111  -8.696  -9.477   3.590
 1069    QB   SER 111           QB       SER 111  -9.099 -11.646   2.420
 1070    H    GLU 112           H        GLU 112 -11.357 -11.892   1.538
 1071    HA   GLU 112           HA       GLU 112 -12.433 -11.374  -0.986
 1072   1HB   GLU 112          2HB       GLU 112 -11.703 -13.178  -2.284
 1073   2HB   GLU 112          1HB       GLU 112 -10.242 -12.693  -1.458
 1074   1HG   GLU 112          2HG       GLU 112 -10.017 -14.900  -1.110
 1075   2HG   GLU 112          1HG       GLU 112 -11.161 -14.634   0.208
 1076    QB   GLU 112           QB       GLU 112 -10.972 -12.936  -1.871
 1077    QG   GLU 112           QG       GLU 112 -10.589 -14.767  -0.451
 1078    H    ALA 113           H        ALA 113 -14.350 -12.265  -1.205
 1079    HA   ALA 113           HA       ALA 113 -15.349 -14.251   0.690
 1080   1HB   ALA 113          2HB       ALA 113 -16.043 -12.039   1.559
 1081   2HB   ALA 113          3HB       ALA 113 -17.436 -12.869   0.864
 1082   3HB   ALA 113          1HB       ALA 113 -16.629 -11.587  -0.036
 1083    MB   ALA 113           QB       ALA 113 -16.703 -12.165   0.796
 1084    H    ASP 114           H        ASP 114 -14.324 -14.550  -1.746
 1085    HA   ASP 114           HA       ASP 114 -16.500 -14.359  -3.694
 1086   1HB   ASP 114          2HB       ASP 114 -14.618 -12.934  -4.146
 1087   2HB   ASP 114          1HB       ASP 114 -13.522 -14.308  -4.069
 1088    QB   ASP 114           QB       ASP 114 -14.070 -13.621  -4.107
 1089    H    MET 115           H        MET 115 -13.542 -16.318  -3.150
 1090    HA   MET 115           HA       MET 115 -14.781 -18.553  -4.458
 1091   1HB   MET 115          2HB       MET 115 -12.190 -18.315  -2.918
 1092   2HB   MET 115          1HB       MET 115 -12.737 -19.816  -3.649
 1093   1HG   MET 115          2HG       MET 115 -12.165 -17.256  -5.121
 1094   2HG   MET 115          1HG       MET 115 -11.077 -18.637  -5.023
 1095   1HE   MET 115          3HE       MET 115 -11.524 -20.969  -6.224
 1096   2HE   MET 115          2HE       MET 115 -13.032 -21.132  -5.323
 1097   3HE   MET 115          1HE       MET 115 -13.021 -21.361  -7.070
 1098    QB   MET 115           QB       MET 115 -12.464 -19.065  -3.284
 1099    QG   MET 115           QG       MET 115 -11.621 -17.946  -5.072
 1100    ME   MET 115           QE       MET 115 -12.526 -21.154  -6.205
 1101    H    ARG 116           H        ARG 116 -13.923 -17.624  -1.180
 1102    HA   ARG 116           HA       ARG 116 -14.746 -18.098   0.845
 1103   1HB   ARG 116          2HB       ARG 116 -17.051 -19.269  -0.658
 1104   2HB   ARG 116          1HB       ARG 116 -17.056 -18.858   1.061
 1105   1HG   ARG 116          2HG       ARG 116 -16.709 -16.509   0.494
 1106   2HG   ARG 116          1HG       ARG 116 -16.637 -16.928  -1.209
 1107   1HD   ARG 116          2HD       ARG 116 -18.993 -17.254   0.621
 1108   2HD   ARG 116          1HD       ARG 116 -18.793 -16.045  -0.653
 1109    HE   ARG 116           HE       ARG 116 -18.735 -18.891  -1.361
 1110   1HH1  ARG 116          1HH1      ARG 116 -20.349 -15.761  -1.600
 1111   2HH1  ARG 116          2HH1      ARG 116 -21.409 -16.236  -2.827
 1112   1HH2  ARG 116          1HH2      ARG 116 -20.193 -19.571  -3.010
 1113   2HH2  ARG 116          2HH2      ARG 116 -21.327 -18.487  -3.659
 1114    QB   ARG 116           QB       ARG 116 -17.053 -19.064   0.201
 1115    QG   ARG 116           QG       ARG 116 -16.673 -16.719  -0.358
 1116    QD   ARG 116           QD       ARG 116 -18.893 -16.649  -0.016
 1117    QH1  ARG 116           QH1      ARG 116 -20.879 -15.998  -2.214
 1118    QH2  ARG 116           QH2      ARG 116 -20.760 -19.029  -3.334
 1119    H    SER 117           H        SER 117 -14.485 -20.754  -1.305
 1120    HA   SER 117           HA       SER 117 -14.645 -22.796   0.711
 1121   1HB   SER 117          2HB       SER 117 -15.287 -23.087  -1.724
 1122   2HB   SER 117          1HB       SER 117 -13.574 -23.002  -2.121
 1123    HG   SER 117           HG       SER 117 -13.326 -24.835  -0.654
 1124    QB   SER 117           QB       SER 117 -14.431 -23.044  -1.922
 1125    H    LEU 118           H        LEU 118 -12.593 -20.517   0.708
 1126    HA   LEU 118           HA       LEU 118 -10.084 -22.002   0.733
 1127   1HB   LEU 118          2HB       LEU 118 -10.647 -19.045   0.890
 1128   2HB   LEU 118          1HB       LEU 118  -9.058 -19.762   0.902
 1129    HG   LEU 118           HG       LEU 118 -10.988 -20.003  -1.403
 1130   1HD1  LEU 118          1HD1      LEU 118  -8.642 -18.157  -0.998
 1131   2HD1  LEU 118          3HD1      LEU 118  -9.530 -18.373  -2.503
 1132   3HD1  LEU 118          2HD1      LEU 118 -10.342 -17.691  -1.094
 1133   1HD2  LEU 118          3HD2      LEU 118  -8.049 -20.644  -1.137
 1134   2HD2  LEU 118          2HD2      LEU 118  -9.362 -21.810  -1.287
 1135   3HD2  LEU 118          1HD2      LEU 118  -8.993 -20.727  -2.624
 1136    MD1  LEU 118           QD1      LEU 118  -9.505 -18.073  -1.532
 1137    MD2  LEU 118           QD2      LEU 118  -8.802 -21.060  -1.683
 1138    QB   LEU 118           QB       LEU 118  -9.853 -19.404   0.896
 1139    QD   LEU 118           QQD      LEU 118  -9.153 -19.567  -1.607
 1140    H    GLY 119           H        GLY 119 -12.409 -21.845   2.777
 1141   1HA   GLY 119          1HA       GLY 119 -10.688 -21.206   5.079
 1142   2HA   GLY 119          2HA       GLY 119 -11.798 -22.561   5.052
 1143    QA   GLY 119           QA       GLY 119 -11.243 -21.884   5.066
 1144    H    LEU 120           H        LEU 120 -13.495 -20.289   3.513
 1145    HA   LEU 120           HA       LEU 120 -14.335 -18.824   5.904
 1146   1HB   LEU 120          2HB       LEU 120 -13.952 -17.665   3.670
 1147   2HB   LEU 120          1HB       LEU 120 -15.349 -18.583   3.109
 1148    HG   LEU 120           HG       LEU 120 -16.759 -17.457   4.775
 1149   1HD1  LEU 120          1HD1      LEU 120 -14.303 -15.801   5.311
 1150   2HD1  LEU 120          3HD1      LEU 120 -15.928 -15.432   5.883
 1151   3HD1  LEU 120          2HD1      LEU 120 -15.115 -16.891   6.441
 1152   1HD2  LEU 120          3HD2      LEU 120 -15.276 -15.641   2.879
 1153   2HD2  LEU 120          2HD2      LEU 120 -16.701 -16.620   2.517
 1154   3HD2  LEU 120          1HD2      LEU 120 -16.828 -15.271   3.638
 1155    MD1  LEU 120           QD1      LEU 120 -15.115 -16.041   5.878
 1156    MD2  LEU 120           QD2      LEU 120 -16.268 -15.844   3.011
 1157    QB   LEU 120           QB       LEU 120 -14.651 -18.124   3.389
 1158    QD   LEU 120           QQD      LEU 120 -15.692 -15.943   4.445
 1159    H    ALA 121           H        ALA 121 -15.666 -20.832   3.321
 1160    HA   ALA 121           HA       ALA 121 -18.061 -21.060   4.844
 1161   1HB   ALA 121          2HB       ALA 121 -17.521 -21.961   2.017
 1162   2HB   ALA 121          1HB       ALA 121 -19.085 -22.013   2.831
 1163   3HB   ALA 121          3HB       ALA 121 -18.317 -20.461   2.493
 1164    MB   ALA 121           QB       ALA 121 -18.308 -21.479   2.447
 1165    H    GLU 122           H        GLU 122 -17.372 -22.412   6.394
 1166    HA   GLU 122           HA       GLU 122 -15.884 -24.791   6.025
 1167   1HB   GLU 122          2HB       GLU 122 -15.985 -23.553   8.158
 1168   2HB   GLU 122          1HB       GLU 122 -17.664 -24.031   8.342
 1169   1HG   GLU 122          2HG       GLU 122 -16.191 -25.395   9.716
 1170   2HG   GLU 122          1HG       GLU 122 -17.008 -26.364   8.490
 1171    QB   GLU 122           QB       GLU 122 -16.825 -23.792   8.250
 1172    QG   GLU 122           QG       GLU 122 -16.600 -25.880   9.103
 1173    H    SER 123           H        SER 123 -19.288 -24.457   7.019
 1174    HA   SER 123           HA       SER 123 -21.145 -25.676   6.684
 1175   1HB   SER 123          2HB       SER 123 -20.714 -25.442   4.304
 1176   2HB   SER 123          1HB       SER 123 -19.586 -26.790   4.329
 1177    HG   SER 123           HG       SER 123 -22.378 -26.764   4.428
 1178    QB   SER 123           QB       SER 123 -20.150 -26.116   4.316
 1179    H    ARG 124           H        ARG 124 -22.124 -27.619   7.354
 1180    HA   ARG 124           HA       ARG 124 -20.532 -29.929   7.808
 1181   1HB   ARG 124          2HB       ARG 124 -20.940 -30.139  10.219
 1182   2HB   ARG 124          1HB       ARG 124 -20.002 -28.701   9.881
 1183   1HG   ARG 124          2HG       ARG 124 -22.960 -28.639  10.288
 1184   2HG   ARG 124          1HG       ARG 124 -21.839 -28.550  11.651
 1185   1HD   ARG 124          2HD       ARG 124 -21.940 -26.627   9.315
 1186   2HD   ARG 124          1HD       ARG 124 -22.613 -26.308  10.918
 1187    HE   ARG 124           HE       ARG 124 -19.837 -27.022  10.952
 1188   1HH1  ARG 124          1HH1      ARG 124 -22.019 -24.263  10.490
 1189   2HH1  ARG 124          2HH1      ARG 124 -20.881 -23.121  11.032
 1190   1HH2  ARG 124          1HH2      ARG 124 -18.298 -25.455  11.666
 1191   2HH2  ARG 124          2HH2      ARG 124 -18.731 -23.815  11.739
 1192    QB   ARG 124           QB       ARG 124 -20.471 -29.420  10.050
 1193    QG   ARG 124           QG       ARG 124 -22.399 -28.595  10.969
 1194    QD   ARG 124           QD       ARG 124 -22.276 -26.468  10.116
 1195    QH1  ARG 124           QH1      ARG 124 -21.450 -23.692  10.761
 1196    QH2  ARG 124           QH2      ARG 124 -18.514 -24.635  11.703
 1197    H    GLN 125           H        GLN 125 -21.694 -31.543   7.307
 1198    HA   GLN 125           HA       GLN 125 -24.485 -31.697   7.968
 1199   1HB   GLN 125          2HB       GLN 125 -25.128 -32.258   5.683
 1200   2HB   GLN 125          1HB       GLN 125 -24.515 -30.616   5.810
 1201   1HG   GLN 125          2HG       GLN 125 -22.922 -32.955   4.748
 1202   2HG   GLN 125          1HG       GLN 125 -23.837 -31.843   3.731
 1203   1HE2  GLN 125          1HE2      GLN 125 -23.119 -29.732   3.560
 1204   2HE2  GLN 125          2HE2      GLN 125 -21.526 -29.227   3.980
 1205    QB   GLN 125           QB       GLN 125 -24.821 -31.437   5.746
 1206    QG   GLN 125           QG       GLN 125 -23.379 -32.399   4.239
 1207    QE   GLN 125           QE2      GLN 125 -22.323 -29.479   3.770

  No H/Q in entry =        1207
  Start of MODEL    9
    1    H1   LEU   5          2HT       LEU   5  -3.665  33.614 -25.842
    2    H2   LEU   5          1HT       LEU   5  -2.756  32.304 -26.302
    3    H3   LEU   5          3HT       LEU   5  -4.092  32.765 -27.236
    4    HA   LEU   5           HA       LEU   5  -5.542  32.185 -25.361
    5   1HB   LEU   5          2HB       LEU   5  -4.724  30.408 -27.009
    6   2HB   LEU   5          1HB       LEU   5  -3.505  29.991 -25.826
    7    HG   LEU   5           HG       LEU   5  -5.353  29.416 -24.237
    8   1HD1  LEU   5          3HD1      LEU   5  -7.056  29.738 -26.700
    9   2HD1  LEU   5          2HD1      LEU   5  -7.580  29.020 -25.178
   10   3HD1  LEU   5          1HD1      LEU   5  -7.131  30.724 -25.240
   11   1HD2  LEU   5          3HD2      LEU   5  -4.159  27.696 -25.493
   12   2HD2  LEU   5          2HD2      LEU   5  -5.858  27.275 -25.304
   13   3HD2  LEU   5          1HD2      LEU   5  -5.272  27.899 -26.845
   14    MD1  LEU   5           QD1      LEU   5  -7.256  29.827 -25.706
   15    MD2  LEU   5           QD2      LEU   5  -5.096  27.623 -25.881
   16    QB   LEU   5           QB       LEU   5  -4.115  30.200 -26.418
   17    QD   LEU   5           QQD      LEU   5  -6.176  28.725 -25.793
   18    H    GLU   6           H        GLU   6  -5.584  31.365 -23.097
   19    HA   GLU   6           HA       GLU   6  -3.256  32.284 -21.710
   20   1HB   GLU   6          2HB       GLU   6  -5.532  32.976 -20.916
   21   2HB   GLU   6          1HB       GLU   6  -5.807  31.249 -20.639
   22   1HG   GLU   6          2HG       GLU   6  -5.327  32.602 -18.668
   23   2HG   GLU   6          1HG       GLU   6  -4.240  31.217 -18.859
   24    QB   GLU   6           QB       GLU   6  -5.670  32.112 -20.777
   25    QG   GLU   6           QG       GLU   6  -4.784  31.910 -18.763
   26    H    ALA   7           H        ALA   7  -2.217  31.027 -20.185
   27    HA   ALA   7           HA       ALA   7  -2.041  28.234 -20.959
   28   1HB   ALA   7          3HB       ALA   7  -0.380  29.812 -19.002
   29   2HB   ALA   7          1HB       ALA   7   0.057  29.480 -20.683
   30   3HB   ALA   7          2HB       ALA   7  -0.086  28.154 -19.523
   31    MB   ALA   7           QB       ALA   7  -0.136  29.149 -19.736
   32    H    ASP   8           H        ASP   8  -2.791  26.642 -19.783
   33    HA   ASP   8           HA       ASP   8  -4.486  27.287 -17.542
   34   1HB   ASP   8          2HB       ASP   8  -5.133  25.575 -19.248
   35   2HB   ASP   8          1HB       ASP   8  -3.783  24.582 -18.717
   36    QB   ASP   8           QB       ASP   8  -4.458  25.079 -18.982
   37    H    VAL   9           H        VAL   9  -4.079  26.669 -15.414
   38    HA   VAL   9           HA       VAL   9  -1.565  26.784 -14.608
   39    HB   VAL   9           HB       VAL   9  -2.338  25.991 -12.351
   40   1HG1  VAL   9          1HG1      VAL   9  -3.965  28.118 -13.744
   41   2HG1  VAL   9          3HG1      VAL   9  -3.810  27.932 -12.000
   42   3HG1  VAL   9          2HG1      VAL   9  -2.396  28.344 -12.973
   43   1HG2  VAL   9          2HG2      VAL   9  -4.919  25.785 -13.838
   44   2HG2  VAL   9          1HG2      VAL   9  -4.033  24.455 -13.095
   45   3HG2  VAL   9          3HG2      VAL   9  -4.772  25.703 -12.069
   46    MG1  VAL   9           QG1      VAL   9  -3.390  28.131 -12.906
   47    MG2  VAL   9           QG2      VAL   9  -4.575  25.314 -13.001
   48    QG   VAL   9           QQG      VAL   9  -3.982  26.723 -12.953
   49    H    THR  10           H        THR  10  -3.474  23.936 -15.268
   50    HA   THR  10           HA       THR  10  -3.130  21.702 -15.290
   51    HB   THR  10           HB       THR  10  -1.195  20.944 -16.396
   52    HG1  THR  10          1HG       THR  10  -0.228  23.436 -15.737
   53   1HG2  THR  10          1HG2      THR  10  -2.463  23.357 -17.664
   54   2HG2  THR  10          3HG2      THR  10  -1.549  22.143 -18.559
   55   3HG2  THR  10          2HG2      THR  10  -3.037  21.690 -17.736
   56    MG   THR  10           QG2      THR  10  -2.349  22.396 -17.986
   57    H    MET  11           H        MET  11  -1.796  19.771 -14.701
   58    HA   MET  11           HA       MET  11  -0.519  20.309 -12.175
   59   1HB   MET  11          2HB       MET  11  -1.691  17.815 -13.389
   60   2HB   MET  11          1HB       MET  11  -0.565  17.722 -12.046
   61   1HG   MET  11          2HG       MET  11  -2.761  17.560 -11.156
   62   2HG   MET  11          1HG       MET  11  -2.144  19.161 -10.788
   63   1HE   MET  11          3HE       MET  11  -5.226  18.309 -10.554
   64   2HE   MET  11          2HE       MET  11  -4.649  19.920 -10.146
   65   3HE   MET  11          1HE       MET  11  -6.022  19.730 -11.235
   66    QB   MET  11           QB       MET  11  -1.128  17.768 -12.718
   67    QG   MET  11           QG       MET  11  -2.452  18.361 -10.972
   68    ME   MET  11           QE       MET  11  -5.299  19.320 -10.645
   69    H    THR  12           H        THR  12   1.368  21.120 -12.889
   70    HA   THR  12           HA       THR  12   2.888  19.953 -14.997
   71    HB   THR  12           HB       THR  12   4.550  21.450 -14.216
   72    HG1  THR  12          1HG       THR  12   3.116  23.128 -12.678
   73   1HG2  THR  12          1HG2      THR  12   3.013  22.120 -15.962
   74   2HG2  THR  12          3HG2      THR  12   1.827  22.640 -14.763
   75   3HG2  THR  12          2HG2      THR  12   3.342  23.522 -14.943
   76    MG   THR  12           QG2      THR  12   2.727  22.761 -15.223
   77    H    GLY  13           H        GLY  13   3.215  20.088 -11.507
   78   1HA   GLY  13          1HA       GLY  13   4.861  17.696 -11.762
   79   2HA   GLY  13          2HA       GLY  13   3.870  18.051 -10.347
   80    QA   GLY  13           QA       GLY  13   4.366  17.874 -11.055
   81    H    SER  14           H        SER  14   4.714  19.264  -8.745
   82    HA   SER  14           HA       SER  14   7.371  20.359  -9.263
   83   1HB   SER  14          2HB       SER  14   5.457  21.205  -7.083
   84   2HB   SER  14          1HB       SER  14   6.932  22.024  -7.598
   85    HG   SER  14           HG       SER  14   5.952  22.303  -9.643
   86    QB   SER  14           QB       SER  14   6.194  21.614  -7.341
   87    H    ASP  15           H        ASP  15   5.613  19.329  -6.219
   88    HA   ASP  15           HA       ASP  15   8.098  18.209  -5.360
   89   1HB   ASP  15          2HB       ASP  15   7.338  18.920  -3.205
   90   2HB   ASP  15          1HB       ASP  15   7.654  20.311  -4.224
   91    QB   ASP  15           QB       ASP  15   7.496  19.615  -3.714
   92    H    LEU  16           H        LEU  16   6.586  16.616  -6.648
   93    HA   LEU  16           HA       LEU  16   5.416  15.000  -4.542
   94   1HB   LEU  16          2HB       LEU  16   4.720  14.912  -7.419
   95   2HB   LEU  16          1HB       LEU  16   3.934  14.034  -6.110
   96    HG   LEU  16           HG       LEU  16   2.408  15.586  -6.599
   97   1HD1  LEU  16          1HD1      LEU  16   3.976  17.021  -4.538
   98   2HD1  LEU  16          3HD1      LEU  16   2.315  17.398  -5.000
   99   3HD1  LEU  16          2HD1      LEU  16   2.705  15.821  -4.309
  100   1HD2  LEU  16          3HD2      LEU  16   4.576  17.516  -7.297
  101   2HD2  LEU  16          2HD2      LEU  16   3.426  16.624  -8.312
  102   3HD2  LEU  16          1HD2      LEU  16   2.834  17.923  -7.274
  103    MD1  LEU  16           QD1      LEU  16   2.999  16.747  -4.616
  104    MD2  LEU  16           QD2      LEU  16   3.612  17.354  -7.628
  105    QB   LEU  16           QB       LEU  16   4.327  14.473  -6.764
  106    QD   LEU  16           QQD      LEU  16   3.305  17.051  -6.122
  107    H    VAL  17           H        VAL  17   5.596  12.902  -4.669
  108    HA   VAL  17           HA       VAL  17   7.603  11.889  -6.256
  109    HB   VAL  17           HB       VAL  17   7.836  12.236  -3.282
  110   1HG1  VAL  17          2HG1      VAL  17   9.021  10.165  -4.940
  111   2HG1  VAL  17          1HG1      VAL  17   9.711  10.600  -3.323
  112   3HG1  VAL  17          3HG1      VAL  17   8.028   9.989  -3.454
  113   1HG2  VAL  17          1HG2      VAL  17   9.053  13.791  -4.813
  114   2HG2  VAL  17          3HG2      VAL  17  10.093  12.902  -3.713
  115   3HG2  VAL  17          2HG2      VAL  17   9.998  12.397  -5.384
  116    MG1  VAL  17           QG1      VAL  17   8.920  10.251  -3.906
  117    MG2  VAL  17           QG2      VAL  17   9.715  13.030  -4.637
  118    QG   VAL  17           QQG      VAL  17   9.317  11.641  -4.271
  119    H    SER  18           H        SER  18   7.375   9.546  -6.116
  120    HA   SER  18           HA       SER  18   5.179   8.527  -4.503
  121   1HB   SER  18          2HB       SER  18   4.398   7.095  -6.388
  122   2HB   SER  18          1HB       SER  18   4.179   8.816  -6.699
  123    HG   SER  18           HG       SER  18   6.543   7.623  -7.501
  124    QB   SER  18           QB       SER  18   4.288   7.955  -6.544
  125    H    CYS  19           H        CYS  19   6.081   7.126  -3.215
  126    HA   CYS  19           HA       CYS  19   8.299   5.530  -4.166
  127   1HB   CYS  19          2HB       CYS  19   6.910   5.636  -1.473
  128   2HB   CYS  19          1HB       CYS  19   8.302   4.622  -1.832
  129    HG   CYS  19           HG       CYS  19  10.032   6.377  -1.107
  130    QB   CYS  19           QB       CYS  19   7.606   5.129  -1.653
  131    H    CYS  20           H        CYS  20   8.046   3.499  -4.905
  132    HA   CYS  20           HA       CYS  20   5.310   2.453  -4.853
  133   1HB   CYS  20          2HB       CYS  20   6.005   3.374  -7.070
  134   2HB   CYS  20          1HB       CYS  20   7.395   2.302  -7.046
  135    HG   CYS  20           HG       CYS  20   6.176   0.076  -7.590
  136    QB   CYS  20           QB       CYS  20   6.700   2.838  -7.058
  137    H    TYR  21           H        TYR  21   5.235   0.308  -4.055
  138    HA   TYR  21           HA       TYR  21   7.873  -0.865  -3.777
  139   1HB   TYR  21          2HB       TYR  21   7.732  -1.181  -1.481
  140   2HB   TYR  21          1HB       TYR  21   7.324   0.491  -1.798
  141    HD1  TYR  21          1HD       TYR  21   5.645  -2.780  -0.940
  142    HD2  TYR  21          2HD       TYR  21   5.702   1.469  -0.699
  143    HE1  TYR  21          1HE       TYR  21   3.826  -2.838   0.721
  144    HE2  TYR  21          2HE       TYR  21   3.927   1.397   0.929
  145    HH   TYR  21           HH       TYR  21   2.076  -0.178   1.634
  146    QB   TYR  21           QB       TYR  21   7.528  -0.345  -1.639
  147    QD   TYR  21           QD       TYR  21   5.673  -0.656  -0.819
  148    QE   TYR  21           QE       TYR  21   3.876  -0.721   0.825
  149    QR   TYR  21           QR       TYR  21   4.775  -0.688   0.003
  150    H    ARG  22           H        ARG  22   7.768  -3.066  -3.116
  151    HA   ARG  22           HA       ARG  22   5.121  -4.224  -3.495
  152   1HB   ARG  22          2HB       ARG  22   5.795  -5.828  -5.007
  153   2HB   ARG  22          1HB       ARG  22   7.074  -4.665  -5.299
  154   1HG   ARG  22          2HG       ARG  22   7.397  -6.916  -3.351
  155   2HG   ARG  22          1HG       ARG  22   7.771  -7.081  -5.059
  156   1HD   ARG  22          2HD       ARG  22   9.465  -5.381  -4.894
  157   2HD   ARG  22          1HD       ARG  22   8.993  -5.025  -3.228
  158    HE   ARG  22           HE       ARG  22  10.069  -6.923  -2.506
  159   1HH1  ARG  22          1HH1      ARG  22  10.053  -6.919  -6.048
  160   2HH1  ARG  22          2HH1      ARG  22  11.222  -8.147  -6.174
  161   1HH2  ARG  22          1HH2      ARG  22  11.595  -8.513  -2.674
  162   2HH2  ARG  22          2HH2      ARG  22  12.149  -9.141  -4.167
  163    QB   ARG  22           QB       ARG  22   6.434  -5.247  -5.153
  164    QG   ARG  22           QG       ARG  22   7.584  -6.998  -4.205
  165    QD   ARG  22           QD       ARG  22   9.229  -5.203  -4.061
  166    QH1  ARG  22           QH1      ARG  22  10.637  -7.533  -6.111
  167    QH2  ARG  22           QH2      ARG  22  11.872  -8.827  -3.420
  168    H    SER  23           H        SER  23   4.681  -5.974  -2.236
  169    HA   SER  23           HA       SER  23   6.683  -6.645  -0.382
  170   1HB   SER  23          2HB       SER  23   4.874  -6.410   1.492
  171   2HB   SER  23          1HB       SER  23   5.748  -4.986   0.939
  172    HG   SER  23           HG       SER  23   3.768  -5.054  -0.647
  173    QB   SER  23           QB       SER  23   5.311  -5.698   1.215
  174    H    LEU  24           H        LEU  24   5.899  -8.597   0.907
  175    HA   LEU  24           HA       LEU  24   4.113 -10.169  -0.851
  176   1HB   LEU  24          2HB       LEU  24   6.577 -11.122   0.607
  177   2HB   LEU  24          1HB       LEU  24   5.390 -12.235  -0.015
  178    HG   LEU  24           HG       LEU  24   7.275 -12.160  -1.492
  179   1HD1  LEU  24          3HD1      LEU  24   5.160 -12.485  -2.552
  180   2HD1  LEU  24          2HD1      LEU  24   4.951 -10.742  -2.742
  181   3HD1  LEU  24          1HD1      LEU  24   6.239 -11.573  -3.606
  182   1HD2  LEU  24          2HD2      LEU  24   8.152  -9.910  -0.943
  183   2HD2  LEU  24          1HD2      LEU  24   7.990 -10.154  -2.688
  184   3HD2  LEU  24          3HD2      LEU  24   6.790  -9.205  -1.821
  185    MD1  LEU  24           QD1      LEU  24   5.450 -11.600  -2.967
  186    MD2  LEU  24           QD2      LEU  24   7.644  -9.756  -1.817
  187    QB   LEU  24           QB       LEU  24   5.983 -11.678   0.296
  188    QD   LEU  24           QQD      LEU  24   6.547 -10.678  -2.392
  189    H    ALA  25           H        ALA  25   2.778  -8.905   0.911
  190    HA   ALA  25           HA       ALA  25   1.891  -8.921   3.188
  191   1HB   ALA  25          3HB       ALA  25   0.223 -10.818   1.524
  192   2HB   ALA  25          1HB       ALA  25   0.245  -9.055   1.368
  193   3HB   ALA  25          2HB       ALA  25  -0.319  -9.768   2.852
  194    MB   ALA  25           QB       ALA  25   0.050  -9.880   1.915
  195    H    ALA  26           H        ALA  26   2.623  -9.729   5.085
  196    HA   ALA  26           HA       ALA  26   3.946 -12.136   5.143
  197   1HB   ALA  26          3HB       ALA  26   4.510 -10.171   6.426
  198   2HB   ALA  26          2HB       ALA  26   3.011 -10.345   7.342
  199   3HB   ALA  26          1HB       ALA  26   4.282 -11.574   7.490
  200    MB   ALA  26           QB       ALA  26   3.935 -10.697   7.086
  201    HA   PRO  27           HA       PRO  27   0.783 -15.103   6.462
  202   1HB   PRO  27          2HB       PRO  27   2.350 -16.592   8.131
  203   2HB   PRO  27          1HB       PRO  27   2.467 -16.703   6.362
  204   1HG   PRO  27          2HG       PRO  27   3.993 -14.828   8.176
  205   2HG   PRO  27          1HG       PRO  27   4.722 -16.075   7.083
  206   1HD   PRO  27          2HD       PRO  27   4.608 -13.637   6.354
  207   2HD   PRO  27          1HD       PRO  27   3.871 -14.820   5.235
  208    QB   PRO  27           QB       PRO  27   2.409 -16.648   7.247
  209    QG   PRO  27           QG       PRO  27   4.358 -15.452   7.630
  210    QD   PRO  27           QD       PRO  27   4.239 -14.228   5.794
  211    H    ASP  28           H        ASP  28   2.411 -13.068   8.404
  212    HA   ASP  28           HA       ASP  28   1.347 -13.633  11.021
  213   1HB   ASP  28          2HB       ASP  28   2.690 -11.185   9.897
  214   2HB   ASP  28          1HB       ASP  28   2.315 -11.439  11.590
  215    QB   ASP  28           QB       ASP  28   2.503 -11.312  10.744
  216    H    LEU  29           H        LEU  29   0.164 -12.229   8.246
  217    HA   LEU  29           HA       LEU  29  -1.202 -10.050   9.311
  218   1HB   LEU  29          2HB       LEU  29  -1.217 -11.411   6.726
  219   2HB   LEU  29          1HB       LEU  29  -2.510 -10.264   7.087
  220    HG   LEU  29           HG       LEU  29   0.445  -9.696   7.143
  221   1HD1  LEU  29          1HD1      LEU  29  -0.461 -10.115   4.917
  222   2HD1  LEU  29          3HD1      LEU  29  -1.723  -8.899   5.247
  223   3HD1  LEU  29          2HD1      LEU  29   0.014  -8.439   5.153
  224   1HD2  LEU  29          3HD2      LEU  29  -1.981  -7.950   7.546
  225   2HD2  LEU  29          2HD2      LEU  29  -0.678  -8.265   8.697
  226   3HD2  LEU  29          1HD2      LEU  29  -0.354  -7.344   7.239
  227    MD1  LEU  29           QD1      LEU  29  -0.723  -9.151   5.106
  228    MD2  LEU  29           QD2      LEU  29  -1.004  -7.853   7.827
  229    QB   LEU  29           QB       LEU  29  -1.863 -10.837   6.907
  230    QD   LEU  29           QQD      LEU  29  -0.864  -8.502   6.467
  231    H    THR  30           H        THR  30  -3.089  -9.594   9.719
  232    HA   THR  30           HA       THR  30  -5.146 -11.623  10.023
  233    HB   THR  30           HB       THR  30  -5.607  -9.682  11.694
  234    HG1  THR  30          1HG       THR  30  -3.722  -8.857  12.402
  235   1HG2  THR  30          2HG2      THR  30  -4.339 -12.319  12.001
  236   2HG2  THR  30          1HG2      THR  30  -4.872 -11.365  13.429
  237   3HG2  THR  30          3HG2      THR  30  -6.039 -11.792  12.171
  238    MG   THR  30           QG2      THR  30  -5.083 -11.826  12.533
  239    H    LEU  31           H        LEU  31  -7.059 -11.009   9.323
  240    HA   LEU  31           HA       LEU  31  -7.463  -8.990   7.393
  241   1HB   LEU  31          2HB       LEU  31  -8.888 -11.004   7.924
  242   2HB   LEU  31          1HB       LEU  31  -9.288 -10.017   9.350
  243    HG   LEU  31           HG       LEU  31 -10.437  -8.382   8.030
  244   1HD1  LEU  31          1HD1      LEU  31  -9.720 -10.012   5.600
  245   2HD1  LEU  31          3HD1      LEU  31 -10.791  -8.602   5.665
  246   3HD1  LEU  31          2HD1      LEU  31  -9.088  -8.416   6.050
  247   1HD2  LEU  31          1HD2      LEU  31 -11.746 -10.291   8.753
  248   2HD2  LEU  31          3HD2      LEU  31 -12.327  -9.703   7.198
  249   3HD2  LEU  31          2HD2      LEU  31 -11.330 -11.157   7.269
  250    MD1  LEU  31           QD1      LEU  31  -9.867  -9.010   5.771
  251    MD2  LEU  31           QD2      LEU  31 -11.801 -10.384   7.740
  252    QB   LEU  31           QB       LEU  31  -9.088 -10.511   8.637
  253    QD   LEU  31           QQD      LEU  31 -10.834  -9.697   6.756
  254    H    ARG  32           H        ARG  32  -8.103  -8.942  10.891
  255    HA   ARG  32           HA       ARG  32  -9.347  -6.424  10.709
  256   1HB   ARG  32          2HB       ARG  32  -9.651  -7.792  12.715
  257   2HB   ARG  32          1HB       ARG  32  -7.949  -7.592  13.119
  258   1HG   ARG  32          2HG       ARG  32  -9.389  -6.103  14.463
  259   2HG   ARG  32          1HG       ARG  32  -8.260  -5.220  13.425
  260   1HD   ARG  32          2HD       ARG  32 -10.487  -4.194  13.411
  261   2HD   ARG  32          1HD       ARG  32 -10.019  -4.766  11.815
  262    HE   ARG  32           HE       ARG  32 -11.511  -6.719  13.217
  263   1HH1  ARG  32          1HH1      ARG  32 -11.918  -3.669  11.420
  264   2HH1  ARG  32          2HH1      ARG  32 -13.530  -4.026  10.988
  265   1HH2  ARG  32          1HH2      ARG  32 -13.698  -7.162  12.571
  266   2HH2  ARG  32          2HH2      ARG  32 -14.555  -6.017  11.629
  267    QB   ARG  32           QB       ARG  32  -8.800  -7.692  12.917
  268    QG   ARG  32           QG       ARG  32  -8.825  -5.661  13.944
  269    QD   ARG  32           QD       ARG  32 -10.253  -4.480  12.613
  270    QH1  ARG  32           QH1      ARG  32 -12.724  -3.847  11.204
  271    QH2  ARG  32           QH2      ARG  32 -14.127  -6.590  12.100
  272    H    ASP  33           H        ASP  33  -6.032  -7.351  10.925
  273    HA   ASP  33           HA       ASP  33  -5.075  -4.759  11.420
  274   1HB   ASP  33          2HB       ASP  33  -3.727  -7.228  10.363
  275   2HB   ASP  33          1HB       ASP  33  -2.880  -5.688  10.412
  276    QB   ASP  33           QB       ASP  33  -3.303  -6.458  10.388
  277    H    LEU  34           H        LEU  34  -5.809  -6.532   8.368
  278    HA   LEU  34           HA       LEU  34  -4.745  -4.411   6.696
  279   1HB   LEU  34          2HB       LEU  34  -6.944  -6.392   6.070
  280   2HB   LEU  34          1HB       LEU  34  -6.375  -5.206   4.931
  281    HG   LEU  34           HG       LEU  34  -5.467  -7.337   4.370
  282   1HD1  LEU  34          1HD1      LEU  34  -3.996  -5.439   4.011
  283   2HD1  LEU  34          3HD1      LEU  34  -3.314  -5.648   5.626
  284   3HD1  LEU  34          2HD1      LEU  34  -3.088  -6.893   4.395
  285   1HD2  LEU  34          2HD2      LEU  34  -5.745  -8.193   6.633
  286   2HD2  LEU  34          1HD2      LEU  34  -4.181  -8.668   5.881
  287   3HD2  LEU  34          3HD2      LEU  34  -4.257  -7.354   7.068
  288    MD1  LEU  34           QD1      LEU  34  -3.466  -5.993   4.677
  289    MD2  LEU  34           QD2      LEU  34  -4.727  -8.072   6.527
  290    QB   LEU  34           QB       LEU  34  -6.660  -5.799   5.500
  291    QD   LEU  34           QQD      LEU  34  -4.097  -7.033   5.602
  292    H    LEU  35           H        LEU  35  -7.740  -5.049   8.128
  293    HA   LEU  35           HA       LEU  35  -9.187  -2.954   6.922
  294   1HB   LEU  35          2HB       LEU  35  -9.640  -4.670   9.332
  295   2HB   LEU  35          1HB       LEU  35 -10.728  -3.345   8.993
  296    HG   LEU  35           HG       LEU  35 -11.400  -5.715   8.160
  297   1HD1  LEU  35          2HD1      LEU  35 -12.462  -3.565   7.514
  298   2HD1  LEU  35          1HD1      LEU  35 -11.299  -3.437   6.193
  299   3HD1  LEU  35          3HD1      LEU  35 -12.470  -4.760   6.216
  300   1HD2  LEU  35          2HD2      LEU  35  -9.132  -6.141   7.140
  301   2HD2  LEU  35          1HD2      LEU  35 -10.494  -6.397   6.003
  302   3HD2  LEU  35          3HD2      LEU  35  -9.506  -4.934   5.960
  303    MD1  LEU  35           QD1      LEU  35 -12.077  -3.921   6.641
  304    MD2  LEU  35           QD2      LEU  35  -9.711  -5.824   6.368
  305    QB   LEU  35           QB       LEU  35 -10.184  -4.007   9.162
  306    QD   LEU  35           QQD      LEU  35 -10.894  -4.872   6.504
  307    H    ASP  36           H        ASP  36  -7.505  -3.148   9.927
  308    HA   ASP  36           HA       ASP  36  -8.039  -0.415  10.641
  309   1HB   ASP  36          2HB       ASP  36  -5.891  -2.280  11.634
  310   2HB   ASP  36          1HB       ASP  36  -5.890  -0.585  12.090
  311    QB   ASP  36           QB       ASP  36  -5.890  -1.433  11.862
  312    H    ILE  37           H        ILE  37  -5.473  -1.938   8.841
  313    HA   ILE  37           HA       ILE  37  -3.819   0.266   8.405
  314    HB   ILE  37           HB       ILE  37  -4.385  -2.159   6.682
  315   1HG1  ILE  37          2HG1      ILE  37  -1.837  -1.458   8.127
  316   2HG1  ILE  37          1HG1      ILE  37  -3.136  -2.321   8.933
  317   1HG2  ILE  37          2HG2      ILE  37  -2.289  -0.040   6.183
  318   2HG2  ILE  37          1HG2      ILE  37  -2.408  -1.578   5.328
  319   3HG2  ILE  37          3HG2      ILE  37  -3.695  -0.381   5.174
  320   1HD1  ILE  37          2HD1      ILE  37  -1.704  -3.249   6.446
  321   2HD1  ILE  37          1HD1      ILE  37  -1.374  -3.806   8.093
  322   3HD1  ILE  37          3HD1      ILE  37  -2.923  -4.150   7.340
  323    MG   ILE  37           QG2      ILE  37  -2.797  -0.667   5.562
  324    MD   ILE  37           QD1      ILE  37  -2.001  -3.735   7.293
  325    QG   ILE  37           QG1      ILE  37  -2.486  -1.889   8.530
  326    H    VAL  38           H        VAL  38  -6.389  -0.979   6.262
  327    HA   VAL  38           HA       VAL  38  -6.261   1.082   4.406
  328    HB   VAL  38           HB       VAL  38  -7.499  -1.007   3.889
  329   1HG1  VAL  38          1HG1      VAL  38  -8.477  -1.419   5.991
  330   2HG1  VAL  38          3HG1      VAL  38  -9.636  -0.107   5.754
  331   3HG1  VAL  38          2HG1      VAL  38  -9.650  -1.522   4.681
  332   1HG2  VAL  38          3HG2      VAL  38  -9.251   1.438   3.670
  333   2HG2  VAL  38          2HG2      VAL  38  -8.039   0.902   2.497
  334   3HG2  VAL  38          1HG2      VAL  38  -9.482  -0.062   2.771
  335    MG1  VAL  38           QG1      VAL  38  -9.254  -1.016   5.476
  336    MG2  VAL  38           QG2      VAL  38  -8.924   0.759   2.979
  337    QG   VAL  38           QQG      VAL  38  -9.089  -0.128   4.227
  338    H    GLU  39           H        GLU  39  -8.488   0.891   7.179
  339    HA   GLU  39           HA       GLU  39  -9.777   3.290   6.821
  340   1HB   GLU  39          2HB       GLU  39  -9.415   1.333   8.950
  341   2HB   GLU  39          1HB       GLU  39  -9.697   2.957   9.554
  342   1HG   GLU  39          2HG       GLU  39 -11.751   1.580   9.306
  343   2HG   GLU  39          1HG       GLU  39 -11.762   3.108   8.443
  344    QB   GLU  39           QB       GLU  39  -9.556   2.145   9.252
  345    QG   GLU  39           QG       GLU  39 -11.757   2.344   8.874
  346    H    THR  40           H        THR  40  -6.821   2.682   8.709
  347    HA   THR  40           HA       THR  40  -6.564   5.361   9.597
  348    HB   THR  40           HB       THR  40  -4.477   3.167   9.416
  349    HG1  THR  40          1HG       THR  40  -5.891   2.364  10.768
  350   1HG2  THR  40          1HG2      THR  40  -4.535   5.677  11.125
  351   2HG2  THR  40          3HG2      THR  40  -3.325   4.396  11.221
  352   3HG2  THR  40          2HG2      THR  40  -3.454   5.376   9.769
  353    MG   THR  40           QG2      THR  40  -3.771   5.150  10.705
  354    H    SER  41           H        SER  41  -5.345   3.596   6.814
  355    HA   SER  41           HA       SER  41  -3.319   5.328   6.028
  356   1HB   SER  41          2HB       SER  41  -3.612   2.989   5.220
  357   2HB   SER  41          1HB       SER  41  -4.980   3.531   4.252
  358    HG   SER  41           HG       SER  41  -3.524   3.950   2.798
  359    QB   SER  41           QB       SER  41  -4.296   3.260   4.736
  360    H    GLN  42           H        GLN  42  -6.687   5.156   4.830
  361    HA   GLN  42           HA       GLN  42  -6.535   7.200   2.902
  362   1HB   GLN  42          2HB       GLN  42  -8.880   6.441   4.599
  363   2HB   GLN  42          1HB       GLN  42  -8.965   7.404   3.138
  364   1HG   GLN  42          2HG       GLN  42  -8.652   5.663   1.778
  365   2HG   GLN  42          1HG       GLN  42  -7.552   4.885   2.913
  366   1HE2  GLN  42          1HE2      GLN  42  -9.494   5.034   5.110
  367   2HE2  GLN  42          2HE2      GLN  42 -10.576   3.754   4.710
  368    QB   GLN  42           QB       GLN  42  -8.923   6.923   3.869
  369    QG   GLN  42           QG       GLN  42  -8.102   5.274   2.345
  370    QE   GLN  42           QE2      GLN  42 -10.035   4.394   4.910
  371    H    ALA  43           H        ALA  43  -7.459   7.370   6.272
  372    HA   ALA  43           HA       ALA  43  -8.231  10.049   6.275
  373   1HB   ALA  43          2HB       ALA  43  -8.264   9.832   8.670
  374   2HB   ALA  43          3HB       ALA  43  -7.197   8.418   8.577
  375   3HB   ALA  43          1HB       ALA  43  -8.823   8.326   7.911
  376    MB   ALA  43           QB       ALA  43  -8.095   8.859   8.386
  377    H    HIS  44           H        HIS  44  -5.116   8.582   6.667
  378    HA   HIS  44           HA       HIS  44  -3.843  11.125   7.354
  379   1HB   HIS  44          2HB       HIS  44  -2.950   8.979   8.333
  380   2HB   HIS  44          1HB       HIS  44  -2.730   8.487   6.644
  381    HD1  HIS  44          1HD       HIS  44  -0.384   8.350   6.153
  382    HD2  HIS  44          2HD       HIS  44  -1.189  11.692   8.465
  383    HE1  HIS  44          1HE       HIS  44   1.777   9.550   6.352
  384    HE2  HIS  44          2HE       HIS  44   1.372  11.118   8.148
  385    QB   HIS  44           QB       HIS  44  -2.840   8.733   7.488
  386    H    ASN  45           H        ASN  45  -3.984   8.890   4.640
  387    HA   ASN  45           HA       ASN  45  -2.113  10.338   3.129
  388   1HB   ASN  45          2HB       ASN  45  -4.070   8.183   2.374
  389   2HB   ASN  45          1HB       ASN  45  -3.064   8.974   1.165
  390   1HD2  ASN  45          1HD2      ASN  45  -2.053   6.992   0.738
  391   2HD2  ASN  45          2HD2      ASN  45  -0.898   6.298   1.814
  392    QB   ASN  45           QB       ASN  45  -3.567   8.579   1.769
  393    QD   ASN  45           QD2      ASN  45  -1.476   6.645   1.276
  394    H    ALA  46           H        ALA  46  -5.646  10.393   3.145
  395    HA   ALA  46           HA       ALA  46  -5.882  12.217   0.998
  396   1HB   ALA  46          2HB       ALA  46  -8.124  12.646   1.880
  397   2HB   ALA  46          3HB       ALA  46  -7.677  11.828   3.376
  398   3HB   ALA  46          1HB       ALA  46  -7.777  10.911   1.870
  399    MB   ALA  46           QB       ALA  46  -7.860  11.795   2.375
  400    H    ARG  47           H        ARG  47  -5.369  12.572   4.448
  401    HA   ARG  47           HA       ARG  47  -5.695  15.377   4.546
  402   1HB   ARG  47          2HB       ARG  47  -5.774  13.617   6.415
  403   2HB   ARG  47          1HB       ARG  47  -4.009  13.727   6.297
  404   1HG   ARG  47          2HG       ARG  47  -3.968  15.968   6.979
  405   2HG   ARG  47          1HG       ARG  47  -5.728  16.114   6.858
  406   1HD   ARG  47          2HD       ARG  47  -4.225  14.342   8.771
  407   2HD   ARG  47          1HD       ARG  47  -5.010  15.877   9.172
  408    HE   ARG  47           HE       ARG  47  -7.042  14.516   8.146
  409   1HH1  ARG  47          1HH1      ARG  47  -4.716  13.594  10.630
  410   2HH1  ARG  47          2HH1      ARG  47  -5.725  12.421  11.347
  411   1HH2  ARG  47          1HH2      ARG  47  -8.429  12.908   9.120
  412   2HH2  ARG  47          2HH2      ARG  47  -7.888  12.055  10.496
  413    QB   ARG  47           QB       ARG  47  -4.892  13.672   6.356
  414    QG   ARG  47           QG       ARG  47  -4.848  16.041   6.918
  415    QD   ARG  47           QD       ARG  47  -4.617  15.109   8.971
  416    QH1  ARG  47           QH1      ARG  47  -5.221  13.008  10.989
  417    QH2  ARG  47           QH2      ARG  47  -8.158  12.481   9.808
  418    H    ALA  48           H        ALA  48  -2.906  13.167   4.310
  419    HA   ALA  48           HA       ALA  48  -1.153  15.364   4.217
  420   1HB   ALA  48          3HB       ALA  48  -0.445  13.240   5.199
  421   2HB   ALA  48          1HB       ALA  48   0.620  13.869   3.935
  422   3HB   ALA  48          2HB       ALA  48  -0.473  12.513   3.580
  423    MB   ALA  48           QB       ALA  48  -0.099  13.207   4.238
  424    H    GLN  49           H        GLN  49  -3.179  14.188   1.925
  425    HA   GLN  49           HA       GLN  49  -3.603  14.892  -0.221
  426   1HB   GLN  49          2HB       GLN  49  -0.875  16.174  -0.106
  427   2HB   GLN  49          1HB       GLN  49  -2.110  16.513  -1.351
  428   1HG   GLN  49          2HG       GLN  49  -3.314  17.759   0.144
  429   2HG   GLN  49          1HG       GLN  49  -2.698  16.734   1.465
  430   1HE2  GLN  49          1HE2      GLN  49  -0.792  17.120   2.379
  431   2HE2  GLN  49          2HE2      GLN  49   0.118  18.562   2.239
  432    QB   GLN  49           QB       GLN  49  -1.493  16.343  -0.729
  433    QG   GLN  49           QG       GLN  49  -3.006  17.246   0.804
  434    QE   GLN  49           QE2      GLN  49  -0.337  17.841   2.309
  435    H    LEU  50           H        LEU  50  -1.988  12.621   0.710
  436    HA   LEU  50           HA       LEU  50  -0.434  11.722  -1.521
  437   1HB   LEU  50          2HB       LEU  50  -1.124  10.715   1.186
  438   2HB   LEU  50          1HB       LEU  50  -0.542   9.582  -0.009
  439    HG   LEU  50           HG       LEU  50   1.539  10.679  -0.180
  440   1HD1  LEU  50          2HD1      LEU  50   0.496  12.810   1.662
  441   2HD1  LEU  50          1HD1      LEU  50   2.157  12.660   1.101
  442   3HD1  LEU  50          3HD1      LEU  50   0.868  13.003  -0.049
  443   1HD2  LEU  50          1HD2      LEU  50   1.235   9.194   1.729
  444   2HD2  LEU  50          3HD2      LEU  50   2.438  10.456   1.979
  445   3HD2  LEU  50          2HD2      LEU  50   0.844  10.607   2.730
  446    MD1  LEU  50           QD1      LEU  50   1.174  12.824   0.905
  447    MD2  LEU  50           QD2      LEU  50   1.506  10.086   2.146
  448    QB   LEU  50           QB       LEU  50  -0.833  10.148   0.588
  449    QD   LEU  50           QQD      LEU  50   1.340  11.455   1.525
  450    H    THR  51           H        THR  51  -1.109  10.597  -3.132
  451    HA   THR  51           HA       THR  51  -3.793   9.450  -3.102
  452    HB   THR  51           HB       THR  51  -3.839  10.057  -5.525
  453    HG1  THR  51          1HG       THR  51  -1.818  10.365  -6.261
  454   1HG2  THR  51          3HG2      THR  51  -4.673  11.503  -3.743
  455   2HG2  THR  51          2HG2      THR  51  -3.081  12.289  -3.674
  456   3HG2  THR  51          1HG2      THR  51  -4.075  12.441  -5.132
  457    MG   THR  51           QG2      THR  51  -3.943  12.078  -4.183
  458    H    GLY  52           H        GLY  52  -4.052   7.411  -4.441
  459   1HA   GLY  52          1HA       GLY  52  -2.502   5.688  -3.049
  460   2HA   GLY  52          2HA       GLY  52  -1.687   5.794  -4.605
  461    QA   GLY  52           QA       GLY  52  -2.094   5.741  -3.827
  462    H    ALA  53           H        ALA  53  -2.103   3.595  -4.208
  463    HA   ALA  53           HA       ALA  53  -4.658   2.486  -4.270
  464   1HB   ALA  53          1HB       ALA  53  -4.714   3.188  -6.640
  465   2HB   ALA  53          2HB       ALA  53  -4.662   1.432  -6.515
  466   3HB   ALA  53          3HB       ALA  53  -3.206   2.329  -6.932
  467    MB   ALA  53           QB       ALA  53  -4.194   2.316  -6.696
  468    H    LEU  54           H        LEU  54  -4.551   0.150  -4.164
  469    HA   LEU  54           HA       LEU  54  -1.915  -0.961  -4.337
  470   1HB   LEU  54          2HB       LEU  54  -1.599  -1.659  -2.128
  471   2HB   LEU  54          1HB       LEU  54  -2.238  -0.040  -1.999
  472    HG   LEU  54           HG       LEU  54  -4.497  -1.202  -1.516
  473   1HD1  LEU  54          3HD1      LEU  54  -2.589  -3.470  -0.960
  474   2HD1  LEU  54          2HD1      LEU  54  -4.255  -3.416  -0.398
  475   3HD1  LEU  54          1HD1      LEU  54  -3.900  -3.465  -2.129
  476   1HD2  LEU  54          3HD2      LEU  54  -3.206   0.082   0.104
  477   2HD2  LEU  54          2HD2      LEU  54  -3.949  -1.331   0.863
  478   3HD2  LEU  54          1HD2      LEU  54  -2.228  -1.340   0.473
  479    MD1  LEU  54           QD1      LEU  54  -3.581  -3.450  -1.162
  480    MD2  LEU  54           QD2      LEU  54  -3.128  -0.863   0.480
  481    QB   LEU  54           QB       LEU  54  -1.919  -0.849  -2.063
  482    QD   LEU  54           QQD      LEU  54  -3.354  -2.157  -0.341
  483    H    PHE  55           H        PHE  55  -1.842  -3.043  -4.704
  484    HA   PHE  55           HA       PHE  55  -4.419  -4.365  -5.122
  485   1HB   PHE  55          2HB       PHE  55  -2.003  -4.463  -6.942
  486   2HB   PHE  55          1HB       PHE  55  -3.488  -5.377  -7.175
  487    HD1  PHE  55          1HD       PHE  55  -5.651  -4.038  -7.489
  488    HD2  PHE  55          2HD       PHE  55  -1.771  -2.307  -7.807
  489    HE1  PHE  55          1HE       PHE  55  -6.600  -2.139  -8.734
  490    HE2  PHE  55          2HE       PHE  55  -2.716  -0.408  -9.050
  491    HZ   PHE  55           HZ       PHE  55  -5.134  -0.321  -9.512
  492    QB   PHE  55           QB       PHE  55  -2.746  -4.920  -7.059
  493    QD   PHE  55           QD       PHE  55  -3.711  -3.172  -7.648
  494    QE   PHE  55           QE       PHE  55  -4.658  -1.273  -8.892
  495    QR   PHE  55           QR       PHE  55  -4.374  -1.842  -8.518
  496    H    TYR  56           H        TYR  56  -4.526  -5.877  -3.733
  497    HA   TYR  56           HA       TYR  56  -2.170  -7.374  -2.873
  498   1HB   TYR  56          2HB       TYR  56  -3.690  -6.338  -1.183
  499   2HB   TYR  56          1HB       TYR  56  -5.033  -7.265  -1.781
  500    HD1  TYR  56          1HD       TYR  56  -4.035 -10.031  -1.848
  501    HD2  TYR  56          2HD       TYR  56  -3.186  -6.929   0.933
  502    HE1  TYR  56          1HE       TYR  56  -3.591 -11.716  -0.106
  503    HE2  TYR  56          2HE       TYR  56  -2.726  -8.598   2.663
  504    HH   TYR  56           HH       TYR  56  -3.368 -10.926   3.148
  505    QB   TYR  56           QB       TYR  56  -4.362  -6.802  -1.482
  506    QD   TYR  56           QD       TYR  56  -3.611  -8.480  -0.458
  507    QE   TYR  56           QE       TYR  56  -3.158 -10.157   1.278
  508    QR   TYR  56           QR       TYR  56  -3.384  -9.319   0.410
  509    H    SER  57           H        SER  57  -1.867  -9.148  -4.205
  510    HA   SER  57           HA       SER  57  -4.278 -10.498  -5.218
  511   1HB   SER  57          2HB       SER  57  -1.706 -10.096  -6.740
  512   2HB   SER  57          1HB       SER  57  -3.195 -10.819  -7.348
  513    HG   SER  57           HG       SER  57  -4.130  -8.908  -7.449
  514    QB   SER  57           QB       SER  57  -2.450 -10.458  -7.044
  515    H    GLN  58           H        GLN  58  -4.288 -12.212  -3.845
  516    HA   GLN  58           HA       GLN  58  -3.967 -14.328  -3.214
  517   1HB   GLN  58          2HB       GLN  58  -3.578 -14.717  -5.630
  518   2HB   GLN  58          1HB       GLN  58  -1.865 -14.435  -5.399
  519   1HG   GLN  58          2HG       GLN  58  -2.356 -16.807  -5.578
  520   2HG   GLN  58          1HG       GLN  58  -1.718 -16.409  -3.983
  521   1HE2  GLN  58          1HE2      GLN  58  -2.619 -18.228  -3.025
  522   2HE2  GLN  58          2HE2      GLN  58  -4.323 -18.383  -2.789
  523    QB   GLN  58           QB       GLN  58  -2.721 -14.576  -5.514
  524    QG   GLN  58           QG       GLN  58  -2.037 -16.608  -4.780
  525    QE   GLN  58           QE2      GLN  58  -3.471 -18.305  -2.907
  526    H    GLY  59           H        GLY  59  -1.687 -12.060  -2.742
  527   1HA   GLY  59          1HA       GLY  59   0.239 -13.789  -1.390
  528   2HA   GLY  59          2HA       GLY  59  -0.668 -12.651  -0.398
  529    QA   GLY  59           QA       GLY  59  -0.214 -13.220  -0.894
  530    H    VAL  60           H        VAL  60   0.225 -11.878  -3.685
  531    HA   VAL  60           HA       VAL  60   2.488 -10.392  -2.717
  532    HB   VAL  60           HB       VAL  60   2.959  -9.683  -4.974
  533   1HG1  VAL  60          3HG1      VAL  60   3.715 -11.888  -4.453
  534   2HG1  VAL  60          2HG1      VAL  60   2.177 -12.580  -4.978
  535   3HG1  VAL  60          1HG1      VAL  60   3.243 -11.804  -6.148
  536   1HG2  VAL  60          3HG2      VAL  60   0.314 -10.903  -5.805
  537   2HG2  VAL  60          2HG2      VAL  60   0.721  -9.186  -5.797
  538   3HG2  VAL  60          1HG2      VAL  60   1.532 -10.278  -6.919
  539    MG1  VAL  60           QG1      VAL  60   3.045 -12.091  -5.193
  540    MG2  VAL  60           QG2      VAL  60   0.856 -10.122  -6.173
  541    QG   VAL  60           QQG      VAL  60   1.950 -11.107  -5.683
  542    H    PHE  61           H        PHE  61   2.603  -8.381  -2.288
  543    HA   PHE  61           HA       PHE  61   0.049  -6.943  -2.105
  544   1HB   PHE  61          2HB       PHE  61   1.739  -7.926  -0.298
  545   2HB   PHE  61          1HB       PHE  61   2.476  -6.369  -0.569
  546    HD1  PHE  61          1HD       PHE  61   1.808  -7.184   1.924
  547    HD2  PHE  61          2HD       PHE  61  -0.735  -5.402  -0.962
  548    HE1  PHE  61          1HE       PHE  61   0.440  -6.378   3.708
  549    HE2  PHE  61          2HE       PHE  61  -2.164  -4.554   0.857
  550    HZ   PHE  61           HZ       PHE  61  -1.531  -5.048   3.213
  551    QB   PHE  61           QB       PHE  61   2.108  -7.147  -0.434
  552    QD   PHE  61           QD       PHE  61   0.537  -6.293   0.481
  553    QE   PHE  61           QE       PHE  61  -0.862  -5.466   2.282
  554    QR   PHE  61           QR       PHE  61  -0.436  -5.713   1.748
  555    H    PHE  62           H        PHE  62   0.155  -5.423  -3.860
  556    HA   PHE  62           HA       PHE  62   2.695  -4.015  -4.185
  557   1HB   PHE  62          2HB       PHE  62   1.977  -5.126  -6.221
  558   2HB   PHE  62          1HB       PHE  62   0.397  -4.336  -6.131
  559    HD1  PHE  62          1HD       PHE  62   3.986  -3.871  -6.777
  560    HD2  PHE  62          2HD       PHE  62   0.109  -2.136  -6.974
  561    HE1  PHE  62          1HE       PHE  62   4.865  -2.074  -8.196
  562    HE2  PHE  62          2HE       PHE  62   0.985  -0.330  -8.390
  563    HZ   PHE  62           HZ       PHE  62   3.356  -0.300  -9.004
  564    QB   PHE  62           QB       PHE  62   1.187  -4.731  -6.176
  565    QD   PHE  62           QD       PHE  62   2.047  -3.003  -6.876
  566    QE   PHE  62           QE       PHE  62   2.925  -1.202  -8.293
  567    QR   PHE  62           QR       PHE  62   2.660  -1.742  -7.868
  568    H    GLN  63           H        GLN  63   2.743  -1.991  -3.374
  569    HA   GLN  63           HA       GLN  63   0.227  -0.475  -3.170
  570   1HB   GLN  63          2HB       GLN  63   0.941  -1.876  -1.085
  571   2HB   GLN  63          1HB       GLN  63   2.198  -0.681  -0.912
  572   1HG   GLN  63          2HG       GLN  63  -0.769  -0.142  -0.816
  573   2HG   GLN  63          1HG       GLN  63   0.286  -0.360   0.550
  574   1HE2  GLN  63          1HE2      GLN  63   2.430   1.339  -0.611
  575   2HE2  GLN  63          2HE2      GLN  63   1.803   2.948  -0.513
  576    QB   GLN  63           QB       GLN  63   1.569  -1.278  -0.998
  577    QG   GLN  63           QG       GLN  63  -0.241  -0.251  -0.133
  578    QE   GLN  63           QE2      GLN  63   2.117   2.144  -0.562
  579    H    TRP  64           H        TRP  64   0.670   1.648  -3.857
  580    HA   TRP  64           HA       TRP  64   3.249   2.637  -3.111
  581   1HB   TRP  64          2HB       TRP  64   3.876   3.526  -5.176
  582   2HB   TRP  64          1HB       TRP  64   3.379   1.846  -5.521
  583    HD1  TRP  64           HD       TRP  64   3.451   5.100  -6.897
  584    HE1  TRP  64          1HE       TRP  64   1.661   5.476  -8.641
  585    HE3  TRP  64          3HE       TRP  64   0.425   1.169  -5.754
  586    HZ2  TRP  64          2HZ       TRP  64  -0.762   4.265  -9.444
  587    HZ3  TRP  64          3HZ       TRP  64  -1.651   0.883  -7.045
  588    HH2  TRP  64           HH       TRP  64  -2.202   2.389  -8.862
  589    QB   TRP  64           QB       TRP  64   3.628   2.686  -5.348
  590    H    LEU  65           H        LEU  65   3.273   5.137  -3.468
  591    HA   LEU  65           HA       LEU  65   0.611   6.284  -3.384
  592   1HB   LEU  65          2HB       LEU  65   1.004   7.459  -1.294
  593   2HB   LEU  65          1HB       LEU  65   0.977   5.729  -1.061
  594    HG   LEU  65           HG       LEU  65   3.561   7.155  -1.397
  595   1HD1  LEU  65          3HD1      LEU  65   1.928   6.867   1.121
  596   2HD1  LEU  65          2HD1      LEU  65   3.633   7.343   1.093
  597   3HD1  LEU  65          1HD1      LEU  65   2.413   8.362   0.332
  598   1HD2  LEU  65          2HD2      LEU  65   3.611   4.713  -1.406
  599   2HD2  LEU  65          1HD2      LEU  65   4.410   5.339   0.037
  600   3HD2  LEU  65          3HD2      LEU  65   2.782   4.676   0.152
  601    MD1  LEU  65           QD1      LEU  65   2.658   7.524   0.848
  602    MD2  LEU  65           QD2      LEU  65   3.601   4.909  -0.406
  603    QB   LEU  65           QB       LEU  65   0.990   6.594  -1.178
  604    QD   LEU  65           QQD      LEU  65   3.129   6.217   0.221
  605    H    GLU  66           H        GLU  66   0.519   8.305  -4.051
  606    HA   GLU  66           HA       GLU  66   2.934   9.645  -5.054
  607   1HB   GLU  66          2HB       GLU  66   0.032  10.439  -5.337
  608   2HB   GLU  66          1HB       GLU  66   1.407  11.009  -6.247
  609   1HG   GLU  66          2HG       GLU  66   1.532   8.895  -7.422
  610   2HG   GLU  66          1HG       GLU  66   0.172   8.282  -6.470
  611    QB   GLU  66           QB       GLU  66   0.719  10.724  -5.792
  612    QG   GLU  66           QG       GLU  66   0.852   8.589  -6.946
  613    H    GLY  67           H        GLY  67   3.680  11.320  -3.697
  614   1HA   GLY  67          1HA       GLY  67   2.591  12.047  -1.282
  615   2HA   GLY  67          2HA       GLY  67   1.810  13.073  -2.498
  616    QA   GLY  67           QA       GLY  67   2.200  12.560  -1.890
  617    H    HIS  68           H        HIS  68   3.124  14.670  -0.914
  618    HA   HIS  68           HA       HIS  68   5.499  15.518  -2.283
  619   1HB   HIS  68          2HB       HIS  68   4.266  17.208  -1.055
  620   2HB   HIS  68          1HB       HIS  68   4.390  16.340   0.446
  621    HD1  HIS  68          1HD       HIS  68   6.611  16.554   1.776
  622    HD2  HIS  68          2HD       HIS  68   6.285  18.525  -1.745
  623    HE1  HIS  68          1HE       HIS  68   8.702  17.889   1.719
  624    HE2  HIS  68          2HE       HIS  68   8.392  19.378  -0.332
  625    QB   HIS  68           QB       HIS  68   4.328  16.774  -0.304
  626    HA   PRO  69           HA       PRO  69   8.418  12.386  -1.156
  627   1HB   PRO  69          2HB       PRO  69  10.387  14.273  -0.264
  628   2HB   PRO  69          1HB       PRO  69  10.361  13.331  -1.747
  629   1HG   PRO  69          2HG       PRO  69   9.498  16.119  -1.293
  630   2HG   PRO  69          1HG       PRO  69   9.968  15.312  -2.799
  631   1HD   PRO  69          2HD       PRO  69   7.447  16.011  -2.312
  632   2HD   PRO  69          1HD       PRO  69   7.820  14.508  -3.178
  633    QB   PRO  69           QB       PRO  69  10.374  13.802  -1.005
  634    QG   PRO  69           QG       PRO  69   9.733  15.716  -2.046
  635    QD   PRO  69           QD       PRO  69   7.634  15.259  -2.745
  636    H    ALA  70           H        ALA  70   8.458  14.994   1.238
  637    HA   ALA  70           HA       ALA  70   9.396  13.191   3.214
  638   1HB   ALA  70          3HB       ALA  70   9.896  15.600   3.268
  639   2HB   ALA  70          1HB       ALA  70   9.229  14.932   4.776
  640   3HB   ALA  70          2HB       ALA  70   8.191  15.859   3.664
  641    MB   ALA  70           QB       ALA  70   9.106  15.464   3.903
  642    H    ALA  71           H        ALA  71   6.287  14.021   2.283
  643    HA   ALA  71           HA       ALA  71   4.999  13.126   4.645
  644   1HB   ALA  71          1HB       ALA  71   4.087  13.180   1.843
  645   2HB   ALA  71          3HB       ALA  71   2.986  13.133   3.231
  646   3HB   ALA  71          2HB       ALA  71   3.995  14.579   2.927
  647    MB   ALA  71           QB       ALA  71   3.689  13.630   2.667
  648    H    VAL  72           H        VAL  72   5.898  11.916   1.568
  649    HA   VAL  72           HA       VAL  72   4.851   9.271   1.609
  650    HB   VAL  72           HB       VAL  72   7.457   9.882   0.280
  651   1HG1  VAL  72          2HG1      VAL  72   6.423   7.755  -0.012
  652   2HG1  VAL  72          1HG1      VAL  72   4.975   8.609  -0.617
  653   3HG1  VAL  72          3HG1      VAL  72   6.484   8.704  -1.549
  654   1HG2  VAL  72          3HG2      VAL  72   4.867  11.067  -0.625
  655   2HG2  VAL  72          2HG2      VAL  72   6.365  11.888  -0.100
  656   3HG2  VAL  72          1HG2      VAL  72   6.351  10.950  -1.598
  657    MG1  VAL  72           QG1      VAL  72   5.961   8.356  -0.726
  658    MG2  VAL  72           QG2      VAL  72   5.861  11.302  -0.774
  659    QG   VAL  72           QQG      VAL  72   5.911   9.829  -0.750
  660    H    ALA  73           H        ALA  73   7.863  10.750   2.596
  661    HA   ALA  73           HA       ALA  73   9.094   8.345   3.368
  662   1HB   ALA  73          1HB       ALA  73   9.730  11.129   4.188
  663   2HB   ALA  73          3HB       ALA  73  10.680   9.639   4.445
  664   3HB   ALA  73          2HB       ALA  73  10.386  10.208   2.778
  665    MB   ALA  73           QB       ALA  73  10.266  10.325   3.804
  666    H    GLU  74           H        GLU  74   7.230  10.735   5.122
  667    HA   GLU  74           HA       GLU  74   7.603   9.639   7.724
  668   1HB   GLU  74          2HB       GLU  74   6.483  11.855   7.318
  669   2HB   GLU  74          1HB       GLU  74   5.120  11.020   6.609
  670   1HG   GLU  74          2HG       GLU  74   5.794  10.218   9.369
  671   2HG   GLU  74          1HG       GLU  74   5.233  11.874   9.182
  672    QB   GLU  74           QB       GLU  74   5.801  11.437   6.964
  673    QG   GLU  74           QG       GLU  74   5.514  11.046   9.276
  674    H    VAL  75           H        VAL  75   5.373   8.986   5.180
  675    HA   VAL  75           HA       VAL  75   4.083   6.786   6.282
  676    HB   VAL  75           HB       VAL  75   4.622   7.632   3.427
  677   1HG1  VAL  75          2HG1      VAL  75   4.424   5.238   3.444
  678   2HG1  VAL  75          1HG1      VAL  75   2.886   5.336   4.330
  679   3HG1  VAL  75          3HG1      VAL  75   3.028   6.001   2.692
  680   1HG2  VAL  75          3HG2      VAL  75   2.146   7.629   5.130
  681   2HG2  VAL  75          2HG2      VAL  75   3.117   9.032   4.679
  682   3HG2  VAL  75          1HG2      VAL  75   2.236   8.138   3.444
  683    MG1  VAL  75           QG1      VAL  75   3.446   5.525   3.489
  684    MG2  VAL  75           QG2      VAL  75   2.499   8.266   4.417
  685    QG   VAL  75           QQG      VAL  75   2.973   6.896   3.953
  686    H    MET  76           H        MET  76   6.976   6.824   4.018
  687    HA   MET  76           HA       MET  76   7.614   4.219   4.066
  688   1HB   MET  76          2HB       MET  76   9.531   6.548   4.181
  689   2HB   MET  76          1HB       MET  76   9.978   4.929   3.742
  690   1HG   MET  76          2HG       MET  76   7.877   6.324   2.323
  691   2HG   MET  76          1HG       MET  76   9.560   6.679   1.861
  692   1HE   MET  76          1HE       MET  76   6.521   4.576   1.922
  693   2HE   MET  76          3HE       MET  76   6.859   3.130   0.952
  694   3HE   MET  76          2HE       MET  76   7.489   3.216   2.588
  695    QB   MET  76           QB       MET  76   9.754   5.738   3.961
  696    QG   MET  76           QG       MET  76   8.719   6.501   2.092
  697    ME   MET  76           QE       MET  76   6.956   3.641   1.821
  698    H    SER  77           H        SER  77   8.729   6.604   6.428
  699    HA   SER  77           HA       SER  77  10.238   4.898   8.018
  700   1HB   SER  77          2HB       SER  77  10.242   7.365   8.207
  701   2HB   SER  77          1HB       SER  77   8.604   7.321   8.849
  702    HG   SER  77           HG       SER  77  10.953   6.271  10.029
  703    QB   SER  77           QB       SER  77   9.423   7.343   8.528
  704    H    HIS  78           H        HIS  78   6.776   5.630   8.274
  705    HA   HIS  78           HA       HIS  78   6.401   3.862  10.479
  706   1HB   HIS  78          2HB       HIS  78   4.448   5.194   8.607
  707   2HB   HIS  78          1HB       HIS  78   3.907   4.066   9.837
  708    HD1  HIS  78          1HD       HIS  78   4.336   7.657   9.392
  709    HD2  HIS  78          2HD       HIS  78   4.949   4.949  12.522
  710    HE1  HIS  78          1HE       HIS  78   4.404   9.002  11.447
  711    HE2  HIS  78          2HE       HIS  78   4.884   7.392  13.319
  712    QB   HIS  78           QB       HIS  78   4.178   4.630   9.222
  713    H    ILE  79           H        ILE  79   6.509   3.385   7.131
  714    HA   ILE  79           HA       ILE  79   5.131   0.834   7.122
  715    HB   ILE  79           HB       ILE  79   5.982   2.835   5.181
  716   1HG1  ILE  79          2HG1      ILE  79   3.601   1.003   5.330
  717   2HG1  ILE  79          1HG1      ILE  79   3.688   2.697   5.803
  718   1HG2  ILE  79          1HG2      ILE  79   6.175  -0.001   4.391
  719   2HG2  ILE  79          3HG2      ILE  79   5.751   1.256   3.230
  720   3HG2  ILE  79          2HG2      ILE  79   7.284   1.340   4.096
  721   1HD1  ILE  79          2HD1      ILE  79   4.196   3.231   3.451
  722   2HD1  ILE  79          1HD1      ILE  79   3.859   1.560   3.033
  723   3HD1  ILE  79          3HD1      ILE  79   2.569   2.571   3.722
  724    MG   ILE  79           QG2      ILE  79   6.404   0.865   3.906
  725    MD   ILE  79           QD1      ILE  79   3.541   2.454   3.402
  726    QG   ILE  79           QG1      ILE  79   3.645   1.850   5.567
  727    H    GLN  80           H        GLN  80   8.437   1.857   6.354
  728    HA   GLN  80           HA       GLN  80   9.475  -0.618   5.844
  729   1HB   GLN  80          2HB       GLN  80  10.750   1.918   6.837
  730   2HB   GLN  80          1HB       GLN  80  11.636   0.519   6.226
  731   1HG   GLN  80          2HG       GLN  80   9.615   2.118   4.562
  732   2HG   GLN  80          1HG       GLN  80  11.313   2.213   4.412
  733   1HE2  GLN  80          1HE2      GLN  80   8.688   0.233   3.957
  734   2HE2  GLN  80          2HE2      GLN  80   9.583  -0.852   2.930
  735    QB   GLN  80           QB       GLN  80  11.193   1.219   6.531
  736    QG   GLN  80           QG       GLN  80  10.464   2.166   4.487
  737    QE   GLN  80           QE2      GLN  80   9.135  -0.309   3.443
  738    H    ARG  81           H        ARG  81   8.654   0.725   8.903
  739    HA   ARG  81           HA       ARG  81  10.269  -1.129  10.421
  740   1HB   ARG  81          2HB       ARG  81   7.959   0.639  11.269
  741   2HB   ARG  81          1HB       ARG  81   8.994  -0.284  12.359
  742   1HG   ARG  81          2HG       ARG  81  10.894   0.910  11.711
  743   2HG   ARG  81          1HG       ARG  81  10.002   1.806  10.478
  744   1HD   ARG  81          2HD       ARG  81   8.612   2.773  12.297
  745   2HD   ARG  81          1HD       ARG  81   9.639   1.935  13.465
  746    HE   ARG  81           HE       ARG  81  11.434   3.241  12.047
  747   1HH1  ARG  81          1HH1      ARG  81   8.458   4.387  13.614
  748   2HH1  ARG  81          2HH1      ARG  81   9.004   6.002  13.738
  749   1HH2  ARG  81          1HH2      ARG  81  12.141   5.492  12.228
  750   2HH2  ARG  81          2HH2      ARG  81  11.117   6.636  12.940
  751    QB   ARG  81           QB       ARG  81   8.476   0.177  11.814
  752    QG   ARG  81           QG       ARG  81  10.448   1.358  11.094
  753    QD   ARG  81           QD       ARG  81   9.126   2.354  12.881
  754    QH1  ARG  81           QH1      ARG  81   8.731   5.194  13.676
  755    QH2  ARG  81           QH2      ARG  81  11.629   6.064  12.584
  756    H    ASP  82           H        ASP  82   8.295  -1.913   8.413
  757    HA   ASP  82           HA       ASP  82   6.129  -3.285   9.003
  758   1HB   ASP  82          2HB       ASP  82   6.454  -3.259   7.040
  759   2HB   ASP  82          1HB       ASP  82   8.193  -3.571   6.942
  760    QB   ASP  82           QB       ASP  82   7.324  -3.415   6.991
  761    H    ARG  83           H        ARG  83   5.563  -5.226   8.978
  762    HA   ARG  83           HA       ARG  83   6.594  -7.586   9.984
  763   1HB   ARG  83          2HB       ARG  83   5.450  -7.379  12.324
  764   2HB   ARG  83          1HB       ARG  83   7.034  -6.631  12.106
  765   1HG   ARG  83          2HG       ARG  83   5.854  -4.517  11.580
  766   2HG   ARG  83          1HG       ARG  83   4.357  -5.269  12.053
  767   1HD   ARG  83          2HD       ARG  83   6.753  -5.021  13.885
  768   2HD   ARG  83          1HD       ARG  83   5.345  -3.960  13.924
  769    HE   ARG  83           HE       ARG  83   4.804  -6.793  14.244
  770   1HH1  ARG  83          1HH1      ARG  83   5.477  -3.742  15.931
  771   2HH1  ARG  83          2HH1      ARG  83   4.693  -4.181  17.349
  772   1HH2  ARG  83          1HH2      ARG  83   3.710  -7.416  16.225
  773   2HH2  ARG  83          2HH2      ARG  83   3.656  -6.333  17.529
  774    QB   ARG  83           QB       ARG  83   6.242  -7.005  12.215
  775    QG   ARG  83           QG       ARG  83   5.105  -4.893  11.816
  776    QD   ARG  83           QD       ARG  83   6.049  -4.490  13.904
  777    QH1  ARG  83           QH1      ARG  83   5.085  -3.962  16.640
  778    QH2  ARG  83           QH2      ARG  83   3.683  -6.874  16.877
  779    H    ARG  84           H        ARG  84   4.707  -6.477   8.022
  780    HA   ARG  84           HA       ARG  84   2.251  -7.951   8.523
  781   1HB   ARG  84          2HB       ARG  84   2.259  -4.956   8.102
  782   2HB   ARG  84          1HB       ARG  84   0.917  -5.929   7.548
  783   1HG   ARG  84          2HG       ARG  84   0.168  -5.119   9.582
  784   2HG   ARG  84          1HG       ARG  84   0.793  -6.703  10.025
  785   1HD   ARG  84          2HD       ARG  84   1.500  -5.085  11.651
  786   2HD   ARG  84          1HD       ARG  84   2.895  -5.623  10.706
  787    HE   ARG  84           HE       ARG  84   2.072  -3.402   9.405
  788   1HH1  ARG  84          1HH1      ARG  84   2.718  -3.952  12.845
  789   2HH1  ARG  84          2HH1      ARG  84   3.356  -2.400  13.100
  790   1HH2  ARG  84          1HH2      ARG  84   2.945  -1.194   9.840
  791   2HH2  ARG  84          2HH2      ARG  84   3.463  -0.848  11.407
  792    QB   ARG  84           QB       ARG  84   1.588  -5.443   7.825
  793    QG   ARG  84           QG       ARG  84   0.481  -5.911   9.804
  794    QD   ARG  84           QD       ARG  84   2.198  -5.354  11.178
  795    QH1  ARG  84           QH1      ARG  84   3.037  -3.176  12.972
  796    QH2  ARG  84           QH2      ARG  84   3.204  -1.021  10.624
  797    H    HIS  85           H        HIS  85   4.097  -5.901   6.419
  798    HA   HIS  85           HA       HIS  85   2.908  -7.231   4.145
  799   1HB   HIS  85          2HB       HIS  85   3.604  -5.288   2.771
  800   2HB   HIS  85          1HB       HIS  85   2.164  -5.040   3.741
  801    HD1  HIS  85          1HD       HIS  85   3.231  -2.413   2.893
  802    HD2  HIS  85          2HD       HIS  85   4.913  -4.327   6.151
  803    HE1  HIS  85          1HE       HIS  85   4.417  -0.695   4.249
  804    HE2  HIS  85          2HE       HIS  85   5.512  -1.891   6.047
  805    QB   HIS  85           QB       HIS  85   2.884  -5.164   3.256
  806    H    SER  86           H        SER  86   4.118  -8.659   4.304
  807    HA   SER  86           HA       SER  86   6.008  -9.543   5.295
  808   1HB   SER  86          2HB       SER  86   4.937 -10.146   3.084
  809   2HB   SER  86          1HB       SER  86   6.663 -10.288   2.600
  810    HG   SER  86           HG       SER  86   6.445 -12.156   3.559
  811    QB   SER  86           QB       SER  86   5.800 -10.217   2.842
  812    H    ASN  87           H        ASN  87   7.247  -7.428   3.066
  813    HA   ASN  87           HA       ASN  87   9.632  -7.176   4.689
  814   1HB   ASN  87          2HB       ASN  87   9.936  -7.980   1.812
  815   2HB   ASN  87          1HB       ASN  87  11.278  -7.317   2.733
  816   1HD2  ASN  87          1HD2      ASN  87   9.433 -10.084   1.970
  817   2HD2  ASN  87          2HD2      ASN  87  10.244 -11.188   2.994
  818    QB   ASN  87           QB       ASN  87  10.607  -7.649   2.272
  819    QD   ASN  87           QD2      ASN  87   9.838 -10.636   2.482
  820    H    VAL  88           H        VAL  88   7.500  -5.804   2.878
  821    HA   VAL  88           HA       VAL  88   7.482  -4.216   1.281
  822    HB   VAL  88           HB       VAL  88   6.323  -3.460   3.151
  823   1HG1  VAL  88          1HG1      VAL  88   7.940  -3.601   4.803
  824   2HG1  VAL  88          3HG1      VAL  88   8.752  -2.105   4.183
  825   3HG1  VAL  88          2HG1      VAL  88   7.052  -2.031   4.698
  826   1HG2  VAL  88          3HG2      VAL  88   6.686  -1.870   1.224
  827   2HG2  VAL  88          2HG2      VAL  88   6.223  -1.112   2.752
  828   3HG2  VAL  88          1HG2      VAL  88   7.887  -1.068   2.226
  829    MG1  VAL  88           QG1      VAL  88   7.914  -2.579   4.561
  830    MG2  VAL  88           QG2      VAL  88   6.932  -1.350   2.068
  831    QG   VAL  88           QQG      VAL  88   7.423  -1.965   3.315
  832    H    GLU  89           H        GLU  89   8.968  -4.611  -0.047
  833    HA   GLU  89           HA       GLU  89  11.367  -2.988   0.180
  834   1HB   GLU  89          2HB       GLU  89  10.630  -5.056  -1.876
  835   2HB   GLU  89          1HB       GLU  89  12.204  -4.293  -1.679
  836   1HG   GLU  89          2HG       GLU  89  12.581  -5.321   0.377
  837   2HG   GLU  89          1HG       GLU  89  10.862  -5.752   0.419
  838    QB   GLU  89           QB       GLU  89  11.417  -4.674  -1.778
  839    QG   GLU  89           QG       GLU  89  11.722  -5.537   0.398
  840    H    ILE  90           H        ILE  90  10.448  -1.098  -0.118
  841    HA   ILE  90           HA       ILE  90   9.001   0.070  -2.186
  842    HB   ILE  90           HB       ILE  90  11.608   1.291  -1.373
  843   1HG1  ILE  90          2HG1      ILE  90  10.863   0.404   0.723
  844   2HG1  ILE  90          1HG1      ILE  90  10.628   2.144   0.722
  845   1HG2  ILE  90          3HG2      ILE  90   8.809   2.438  -1.605
  846   2HG2  ILE  90          2HG2      ILE  90  10.203   3.364  -1.179
  847   3HG2  ILE  90          1HG2      ILE  90  10.087   2.663  -2.812
  848   1HD1  ILE  90          2HD1      ILE  90   8.292   1.808   0.169
  849   2HD1  ILE  90          1HD1      ILE  90   8.532   0.067   0.262
  850   3HD1  ILE  90          3HD1      ILE  90   8.730   1.062   1.717
  851    MG   ILE  90           QG2      ILE  90   9.700   2.822  -1.865
  852    MD   ILE  90           QD1      ILE  90   8.518   0.979   0.716
  853    QG   ILE  90           QG1      ILE  90  10.745   1.274   0.722
  854    H    LEU  91           H        LEU  91  12.331   0.002  -2.247
  855    HA   LEU  91           HA       LEU  91  13.886  -0.407  -3.787
  856   1HB   LEU  91          2HB       LEU  91  11.705  -1.926  -5.221
  857   2HB   LEU  91          1HB       LEU  91  13.399  -1.962  -5.671
  858    HG   LEU  91           HG       LEU  91  12.280  -3.009  -3.025
  859   1HD1  LEU  91          3HD1      LEU  91  13.282  -4.452  -5.461
  860   2HD1  LEU  91          2HD1      LEU  91  12.813  -5.190  -3.931
  861   3HD1  LEU  91          1HD1      LEU  91  11.606  -4.367  -4.921
  862   1HD2  LEU  91          2HD2      LEU  91  15.055  -3.134  -4.219
  863   2HD2  LEU  91          1HD2      LEU  91  14.578  -2.171  -2.822
  864   3HD2  LEU  91          3HD2      LEU  91  14.527  -3.931  -2.737
  865    MD1  LEU  91           QD1      LEU  91  12.567  -4.670  -4.771
  866    MD2  LEU  91           QD2      LEU  91  14.720  -3.078  -3.259
  867    QB   LEU  91           QB       LEU  91  12.552  -1.944  -5.446
  868    QD   LEU  91           QQD      LEU  91  13.643  -3.874  -4.015
  869    H    ALA  92           H        ALA  92  10.941   1.160  -4.744
  870    HA   ALA  92           HA       ALA  92  12.513   2.648  -6.724
  871   1HB   ALA  92          3HB       ALA  92  11.063   1.096  -7.920
  872   2HB   ALA  92          1HB       ALA  92  10.560   2.771  -8.175
  873   3HB   ALA  92          2HB       ALA  92   9.667   1.745  -7.055
  874    MB   ALA  92           QB       ALA  92  10.430   1.870  -7.717
  875    H    GLU  93           H        GLU  93  12.694   4.584  -5.934
  876    HA   GLU  93           HA       GLU  93  10.300   5.885  -4.859
  877   1HB   GLU  93          2HB       GLU  93  13.201   6.477  -4.057
  878   2HB   GLU  93          1HB       GLU  93  11.720   7.175  -3.392
  879   1HG   GLU  93          2HG       GLU  93  11.031   5.214  -2.476
  880   2HG   GLU  93          1HG       GLU  93  12.355   4.291  -3.202
  881    QB   GLU  93           QB       GLU  93  12.460   6.826  -3.724
  882    QG   GLU  93           QG       GLU  93  11.693   4.753  -2.839
  883    H    GLU  94           H        GLU  94   9.599   7.236  -6.355
  884    HA   GLU  94           HA       GLU  94  11.570   8.496  -8.115
  885   1HB   GLU  94          2HB       GLU  94   9.842   8.223  -9.936
  886   2HB   GLU  94          1HB       GLU  94  10.679   6.771  -9.394
  887   1HG   GLU  94          2HG       GLU  94   8.712   6.215  -7.988
  888   2HG   GLU  94          1HG       GLU  94   7.894   7.627  -8.647
  889    QB   GLU  94           QB       GLU  94  10.260   7.497  -9.665
  890    QG   GLU  94           QG       GLU  94   8.303   6.921  -8.318
  891    H    SER  95           H        SER  95  11.303  10.567  -8.647
  892    HA   SER  95           HA       SER  95   9.426  12.156  -7.175
  893   1HB   SER  95          2HB       SER  95  11.710  12.924  -7.563
  894   2HB   SER  95          1HB       SER  95  11.442  12.915  -9.309
  895    HG   SER  95           HG       SER  95   9.781  14.439  -7.603
  896    QB   SER  95           QB       SER  95  11.576  12.919  -8.436
  897    H    ILE  96           H        ILE  96   7.523  12.856  -7.854
  898    HA   ILE  96           HA       ILE  96   6.887  12.362 -10.682
  899    HB   ILE  96           HB       ILE  96   4.641  11.927 -10.109
  900   1HG1  ILE  96          2HG1      ILE  96   5.627  11.236  -7.361
  901   2HG1  ILE  96          1HG1      ILE  96   4.886  12.788  -7.700
  902   1HG2  ILE  96          3HG2      ILE  96   6.752   9.981  -9.206
  903   2HG2  ILE  96          2HG2      ILE  96   5.083   9.532  -9.548
  904   3HG2  ILE  96          1HG2      ILE  96   6.111  10.177 -10.837
  905   1HD1  ILE  96          3HD1      ILE  96   3.566  10.160  -8.190
  906   2HD1  ILE  96          2HD1      ILE  96   3.402  11.166  -6.724
  907   3HD1  ILE  96          1HD1      ILE  96   2.900  11.794  -8.295
  908    MG   ILE  96           QG2      ILE  96   5.982   9.896  -9.864
  909    MD   ILE  96           QD1      ILE  96   3.289  11.040  -7.736
  910    QG   ILE  96           QG1      ILE  96   5.256  12.012  -7.530
  911    H    ALA  97           H        ALA  97   4.887  13.245 -11.459
  912    HA   ALA  97           HA       ALA  97   4.777  16.036 -10.766
  913   1HB   ALA  97          2HB       ALA  97   5.011  15.437 -13.122
  914   2HB   ALA  97          3HB       ALA  97   3.490  16.314 -12.803
  915   3HB   ALA  97          1HB       ALA  97   3.466  14.564 -12.996
  916    MB   ALA  97           QB       ALA  97   3.989  15.439 -12.974
  917    H    LYS  98           H        LYS  98   3.381  13.457 -10.180
  918    HA   LYS  98           HA       LYS  98   1.499  12.504  -9.412
  919   1HB   LYS  98          2HB       LYS  98   2.513  14.124  -7.703
  920   2HB   LYS  98          1HB       LYS  98   0.976  14.896  -8.207
  921   1HG   LYS  98          2HG       LYS  98   0.430  12.250  -7.555
  922   2HG   LYS  98          1HG       LYS  98   1.443  13.010  -6.359
  923   1HD   LYS  98          2HD       LYS  98  -0.704  14.637  -7.249
  924   2HD   LYS  98          1HD       LYS  98  -1.217  13.210  -6.269
  925   1HE   LYS  98          2HE       LYS  98   0.656  13.834  -4.897
  926   2HE   LYS  98          1HE       LYS  98   0.685  15.391  -5.758
  927   1HZ   LYS  98          2HZ       LYS  98  -1.737  15.640  -5.036
  928   2HZ   LYS  98          1HZ       LYS  98  -1.528  14.311  -4.035
  929   3HZ   LYS  98          3HZ       LYS  98  -0.656  15.712  -3.740
  930    QB   LYS  98           QB       LYS  98   1.745  14.510  -7.955
  931    QD   LYS  98           QD       LYS  98  -0.960  13.923  -6.759
  932    QG   LYS  98           QG       LYS  98   0.936  12.630  -6.957
  933    QE   LYS  98           QE       LYS  98   0.670  14.612  -5.327
  934    QZ   LYS  98           QZ       LYS  98  -1.307  15.221  -4.270
  935    H    ARG  99           H        ARG  99  -0.111  12.219  -9.883
  936    HA   ARG  99           HA       ARG  99  -2.629  13.242 -10.349
  937   1HB   ARG  99          2HB       ARG  99  -1.395  14.919 -11.884
  938   2HB   ARG  99          1HB       ARG  99  -1.142  13.589 -12.989
  939   1HG   ARG  99          2HG       ARG  99  -2.982  15.003 -13.718
  940   2HG   ARG  99          1HG       ARG  99  -3.561  13.390 -13.303
  941   1HD   ARG  99          2HD       ARG  99  -4.366  14.188 -11.165
  942   2HD   ARG  99          1HD       ARG  99  -3.681  15.782 -11.470
  943    HE   ARG  99           HE       ARG  99  -5.310  15.473 -13.550
  944   1HH1  ARG  99          1HH1      ARG  99  -5.882  15.074 -10.068
  945   2HH1  ARG  99          2HH1      ARG  99  -7.540  15.405 -10.173
  946   1HH2  ARG  99          1HH2      ARG  99  -7.573  15.988 -13.667
  947   2HH2  ARG  99          2HH2      ARG  99  -8.533  15.932 -12.266
  948    QB   ARG  99           QB       ARG  99  -1.269  14.254 -12.436
  949    QG   ARG  99           QG       ARG  99  -3.272  14.196 -13.510
  950    QD   ARG  99           QD       ARG  99  -4.024  14.985 -11.318
  951    QH1  ARG  99           QH1      ARG  99  -6.711  15.239 -10.121
  952    QH2  ARG  99           QH2      ARG  99  -8.053  15.960 -12.967
  953    H    ARG 100           H        ARG 100  -1.068  10.653 -10.105
  954    HA   ARG 100           HA       ARG 100  -1.631   9.286 -12.542
  955   1HB   ARG 100          2HB       ARG 100  -0.514   8.270  -9.923
  956   2HB   ARG 100          1HB       ARG 100  -0.452   7.448 -11.485
  957   1HG   ARG 100          2HG       ARG 100   1.032   9.085 -12.382
  958   2HG   ARG 100          1HG       ARG 100   0.793  10.125 -10.977
  959   1HD   ARG 100          2HD       ARG 100   2.952   9.068 -10.777
  960   2HD   ARG 100          1HD       ARG 100   1.880   8.350  -9.583
  961    HE   ARG 100           HE       ARG 100   1.630   6.650 -11.626
  962   1HH1  ARG 100          1HH1      ARG 100   4.534   7.881  -9.930
  963   2HH1  ARG 100          2HH1      ARG 100   5.541   6.645 -10.462
  964   1HH2  ARG 100          1HH2      ARG 100   2.990   4.924 -12.252
  965   2HH2  ARG 100          2HH2      ARG 100   4.624   4.852 -11.796
  966    QB   ARG 100           QB       ARG 100  -0.483   7.859 -10.704
  967    QG   ARG 100           QG       ARG 100   0.913   9.605 -11.679
  968    QD   ARG 100           QD       ARG 100   2.416   8.709 -10.180
  969    QH1  ARG 100           QH1      ARG 100   5.038   7.263 -10.196
  970    QH2  ARG 100           QH2      ARG 100   3.807   4.888 -12.024
  971    H    PHE 101           H        PHE 101  -2.611   9.088  -9.071
  972    HA   PHE 101           HA       PHE 101  -5.010   7.925 -10.187
  973   1HB   PHE 101          2HB       PHE 101  -3.529   6.952  -7.783
  974   2HB   PHE 101          1HB       PHE 101  -5.258   6.658  -7.926
  975    HD1  PHE 101          1HD       PHE 101  -5.956   4.730  -8.981
  976    HD2  PHE 101          2HD       PHE 101  -2.129   6.293  -9.948
  977    HE1  PHE 101          1HE       PHE 101  -5.534   2.797 -10.410
  978    HE2  PHE 101          2HE       PHE 101  -1.713   4.358 -11.399
  979    HZ   PHE 101           HZ       PHE 101  -3.413   2.605 -11.626
  980    QB   PHE 101           QB       PHE 101  -4.394   6.805  -7.854
  981    QD   PHE 101           QD       PHE 101  -4.042   5.511  -9.464
  982    QE   PHE 101           QE       PHE 101  -3.624   3.577 -10.904
  983    QR   PHE 101           QR       PHE 101  -3.749   4.156 -10.473
  984    H    ALA 102           H        ALA 102  -3.883  10.194  -8.245
  985    HA   ALA 102           HA       ALA 102  -4.796  12.076  -7.289
  986   1HB   ALA 102          1HB       ALA 102  -5.967  12.256  -9.466
  987   2HB   ALA 102          2HB       ALA 102  -6.857  13.000  -8.139
  988   3HB   ALA 102          3HB       ALA 102  -7.350  11.424  -8.755
  989    MB   ALA 102           QB       ALA 102  -6.725  12.227  -8.787
  990    H    GLY 103           H        GLY 103  -6.052   9.122  -6.457
  991   1HA   GLY 103          1HA       GLY 103  -7.988   9.207  -4.670
  992   2HA   GLY 103          2HA       GLY 103  -6.739  10.125  -3.808
  993    QA   GLY 103           QA       GLY 103  -7.363   9.666  -4.239
  994    H    TRP 104           H        TRP 104  -6.582   8.220  -2.184
  995    HA   TRP 104           HA       TRP 104  -4.916   6.144  -3.356
  996   1HB   TRP 104          2HB       TRP 104  -3.907   7.276  -1.402
  997   2HB   TRP 104          1HB       TRP 104  -5.376   7.010  -0.498
  998    HD1  TRP 104           HD       TRP 104  -2.077   5.310  -1.292
  999    HE1  TRP 104          1HE       TRP 104  -1.973   3.109  -0.029
 1000    HE3  TRP 104          3HE       TRP 104  -6.897   5.098   0.388
 1001    HZ2  TRP 104          2HZ       TRP 104  -3.777   1.498   1.540
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.609   3.418   1.640
 1003    HH2  TRP 104           HH       TRP 104  -6.191   1.589   2.277
 1004    QB   TRP 104           QB       TRP 104  -4.642   7.143  -0.950
 1005    H    HIS 105           H        HIS 105  -5.557   4.001  -3.443
 1006    HA   HIS 105           HA       HIS 105  -8.167   3.469  -2.244
 1007   1HB   HIS 105          2HB       HIS 105  -7.391   3.612  -4.994
 1008   2HB   HIS 105          1HB       HIS 105  -8.612   2.367  -4.621
 1009    HD1  HIS 105          1HD       HIS 105  -8.585   5.612  -5.967
 1010    HD2  HIS 105          2HD       HIS 105 -10.673   3.940  -2.798
 1011    HE1  HIS 105          1HE       HIS 105 -10.537   7.115  -5.583
 1012    HE2  HIS 105          2HE       HIS 105 -11.888   5.973  -3.815
 1013    QB   HIS 105           QB       HIS 105  -8.002   2.989  -4.808
 1014    H    MET 106           H        MET 106  -8.043   1.658  -1.186
 1015    HA   MET 106           HA       MET 106  -6.178  -0.396  -2.027
 1016   1HB   MET 106          2HB       MET 106  -6.381   0.130   0.383
 1017   2HB   MET 106          1HB       MET 106  -8.091  -0.265   0.325
 1018   1HG   MET 106          2HG       MET 106  -7.615  -2.563  -0.085
 1019   2HG   MET 106          1HG       MET 106  -5.900  -2.220  -0.291
 1020   1HE   MET 106          3HE       MET 106  -5.193  -4.064   1.405
 1021   2HE   MET 106          2HE       MET 106  -5.886  -4.231   3.025
 1022   3HE   MET 106          1HE       MET 106  -6.890  -4.500   1.592
 1023    QB   MET 106           QB       MET 106  -7.236  -0.068   0.354
 1024    QG   MET 106           QG       MET 106  -6.757  -2.391  -0.188
 1025    ME   MET 106           QE       MET 106  -5.990  -4.265   2.008
 1026    H    GLN 107           H        GLN 107  -6.838  -2.133  -3.220
 1027    HA   GLN 107           HA       GLN 107  -9.390  -2.060  -4.427
 1028   1HB   GLN 107          2HB       GLN 107  -7.129  -3.187  -5.195
 1029   2HB   GLN 107          1HB       GLN 107  -7.738  -4.583  -4.335
 1030   1HG   GLN 107          2HG       GLN 107  -9.107  -3.200  -6.653
 1031   2HG   GLN 107          1HG       GLN 107  -8.174  -4.681  -6.752
 1032   1HE2  GLN 107          1HE2      GLN 107 -10.921  -4.083  -7.448
 1033   2HE2  GLN 107          2HE2      GLN 107 -11.925  -5.194  -6.586
 1034    QB   GLN 107           QB       GLN 107  -7.433  -3.885  -4.765
 1035    QG   GLN 107           QG       GLN 107  -8.641  -3.941  -6.703
 1036    QE   GLN 107           QE2      GLN 107 -11.423  -4.639  -7.017
 1037    H    LEU 108           H        LEU 108  -8.105  -4.655  -2.336
 1038    HA   LEU 108           HA       LEU 108 -10.789  -5.352  -1.561
 1039   1HB   LEU 108          2HB       LEU 108  -8.144  -6.466  -0.569
 1040   2HB   LEU 108          1HB       LEU 108  -9.715  -7.051  -0.091
 1041    HG   LEU 108           HG       LEU 108 -10.067  -7.689  -2.545
 1042   1HD1  LEU 108          2HD1      LEU 108  -7.088  -7.269  -2.641
 1043   2HD1  LEU 108          1HD1      LEU 108  -8.058  -8.084  -3.869
 1044   3HD1  LEU 108          3HD1      LEU 108  -8.309  -6.371  -3.545
 1045   1HD2  LEU 108          2HD2      LEU 108  -7.905  -9.065  -0.959
 1046   2HD2  LEU 108          1HD2      LEU 108  -9.642  -9.327  -0.809
 1047   3HD2  LEU 108          3HD2      LEU 108  -8.809  -9.775  -2.295
 1048    MD1  LEU 108           QD1      LEU 108  -7.818  -7.241  -3.352
 1049    MD2  LEU 108           QD2      LEU 108  -8.785  -9.389  -1.354
 1050    QB   LEU 108           QB       LEU 108  -8.929  -6.758  -0.330
 1051    QD   LEU 108           QQD      LEU 108  -8.302  -8.315  -2.353
 1052    H    SER 109           H        SER 109 -11.472  -3.482  -0.513
 1053    HA   SER 109           HA       SER 109  -9.920  -2.276   1.584
 1054   1HB   SER 109          2HB       SER 109 -12.798  -1.809   0.799
 1055   2HB   SER 109          1HB       SER 109 -11.807  -0.772   1.831
 1056    HG   SER 109           HG       SER 109 -10.605  -1.315  -0.552
 1057    QB   SER 109           QB       SER 109 -12.303  -1.291   1.315
 1058    H    CYS 110           H        CYS 110 -12.389  -4.678   1.409
 1059    HA   CYS 110           HA       CYS 110 -12.175  -5.082   4.291
 1060   1HB   CYS 110          2HB       CYS 110 -14.230  -3.673   3.760
 1061   2HB   CYS 110          1HB       CYS 110 -14.828  -5.022   2.801
 1062    HG   CYS 110           HG       CYS 110 -14.081  -5.608   6.053
 1063    QB   CYS 110           QB       CYS 110 -14.529  -4.347   3.280
 1064    H    SER 111           H        SER 111 -10.866  -6.330   2.273
 1065    HA   SER 111           HA       SER 111 -10.321  -8.293   1.307
 1066   1HB   SER 111          2HB       SER 111 -10.957  -9.388   3.492
 1067   2HB   SER 111          1HB       SER 111 -12.623  -9.517   2.921
 1068    HG   SER 111           HG       SER 111 -11.564 -11.471   2.569
 1069    QB   SER 111           QB       SER 111 -11.790  -9.452   3.206
 1070    H    GLU 112           H        GLU 112 -11.854 -10.250   0.136
 1071    HA   GLU 112           HA       GLU 112 -13.349  -8.603  -1.661
 1072   1HB   GLU 112          2HB       GLU 112 -13.646 -10.720  -3.049
 1073   2HB   GLU 112          1HB       GLU 112 -12.003 -10.160  -2.855
 1074   1HG   GLU 112          2HG       GLU 112 -11.893 -12.503  -2.679
 1075   2HG   GLU 112          1HG       GLU 112 -11.798 -11.910  -1.020
 1076    QB   GLU 112           QB       GLU 112 -12.825 -10.440  -2.952
 1077    QG   GLU 112           QG       GLU 112 -11.846 -12.206  -1.849
 1078    H    ALA 113           H        ALA 113 -14.039 -11.467   0.307
 1079    HA   ALA 113           HA       ALA 113 -15.857 -12.192   1.389
 1080   1HB   ALA 113          2HB       ALA 113 -15.496 -10.108   2.625
 1081   2HB   ALA 113          3HB       ALA 113 -17.211 -10.524   2.532
 1082   3HB   ALA 113          1HB       ALA 113 -16.552  -9.257   1.495
 1083    MB   ALA 113           QB       ALA 113 -16.420  -9.963   2.217
 1084    H    ASP 114           H        ASP 114 -15.993 -11.974  -1.504
 1085    HA   ASP 114           HA       ASP 114 -18.885 -11.539  -1.847
 1086   1HB   ASP 114          2HB       ASP 114 -17.499  -9.872  -3.026
 1087   2HB   ASP 114          1HB       ASP 114 -16.708 -11.179  -3.900
 1088    QB   ASP 114           QB       ASP 114 -17.103 -10.525  -3.463
 1089    H    MET 115           H        MET 115 -16.087 -13.284  -3.080
 1090    HA   MET 115           HA       MET 115 -17.932 -15.368  -3.984
 1091   1HB   MET 115          2HB       MET 115 -16.130 -16.153  -5.469
 1092   2HB   MET 115          1HB       MET 115 -16.575 -14.494  -5.823
 1093   1HG   MET 115          2HG       MET 115 -14.586 -13.706  -4.673
 1094   2HG   MET 115          1HG       MET 115 -14.168 -15.357  -4.236
 1095   1HE   MET 115          1HE       MET 115 -13.383 -17.210  -5.994
 1096   2HE   MET 115          3HE       MET 115 -14.874 -16.975  -6.907
 1097   3HE   MET 115          2HE       MET 115 -13.324 -16.930  -7.737
 1098    QB   MET 115           QB       MET 115 -16.352 -15.323  -5.646
 1099    QG   MET 115           QG       MET 115 -14.377 -14.532  -4.455
 1100    ME   MET 115           QE       MET 115 -13.860 -17.038  -6.879
 1101    H    ARG 116           H        ARG 116 -15.025 -14.704  -2.141
 1102    HA   ARG 116           HA       ARG 116 -13.795 -15.803  -0.697
 1103   1HB   ARG 116          2HB       ARG 116 -16.296 -17.404  -0.320
 1104   2HB   ARG 116          1HB       ARG 116 -14.824 -17.846   0.528
 1105   1HG   ARG 116          2HG       ARG 116 -16.152 -16.591   2.013
 1106   2HG   ARG 116          1HG       ARG 116 -14.845 -15.534   1.517
 1107   1HD   ARG 116          2HD       ARG 116 -16.853 -14.322   1.558
 1108   2HD   ARG 116          1HD       ARG 116 -16.345 -14.522  -0.114
 1109    HE   ARG 116           HE       ARG 116 -17.936 -16.635   0.129
 1110   1HH1  ARG 116          1HH1      ARG 116 -18.689 -13.245   1.022
 1111   2HH1  ARG 116          2HH1      ARG 116 -20.352 -13.508   0.922
 1112   1HH2  ARG 116          1HH2      ARG 116 -20.238 -16.898   0.041
 1113   2HH2  ARG 116          2HH2      ARG 116 -21.236 -15.545   0.314
 1114    QB   ARG 116           QB       ARG 116 -15.560 -17.625   0.104
 1115    QG   ARG 116           QG       ARG 116 -15.499 -16.063   1.765
 1116    QD   ARG 116           QD       ARG 116 -16.599 -14.422   0.722
 1117    QH1  ARG 116           QH1      ARG 116 -19.520 -13.377   0.972
 1118    QH2  ARG 116           QH2      ARG 116 -20.737 -16.221   0.177
 1119    H    SER 117           H        SER 117 -15.246 -17.964  -3.036
 1120    HA   SER 117           HA       SER 117 -13.810 -20.251  -2.790
 1121   1HB   SER 117          2HB       SER 117 -14.804 -18.993  -5.329
 1122   2HB   SER 117          1HB       SER 117 -14.519 -20.712  -5.040
 1123    HG   SER 117           HG       SER 117 -16.734 -19.525  -4.666
 1124    QB   SER 117           QB       SER 117 -14.662 -19.853  -5.185
 1125    H    LEU 118           H        LEU 118 -12.325 -17.333  -3.591
 1126    HA   LEU 118           HA       LEU 118 -10.361 -18.524  -5.301
 1127   1HB   LEU 118          2HB       LEU 118  -9.235 -16.303  -5.203
 1128   2HB   LEU 118          1HB       LEU 118 -10.852 -16.329  -5.888
 1129    HG   LEU 118           HG       LEU 118 -11.681 -15.341  -3.722
 1130   1HD1  LEU 118          2HD1      LEU 118  -9.851 -16.007  -2.245
 1131   2HD1  LEU 118          1HD1      LEU 118  -8.746 -14.957  -3.138
 1132   3HD1  LEU 118          3HD1      LEU 118 -10.085 -14.257  -2.230
 1133   1HD2  LEU 118          3HD2      LEU 118  -9.620 -13.800  -5.276
 1134   2HD2  LEU 118          2HD2      LEU 118 -11.326 -13.966  -5.670
 1135   3HD2  LEU 118          1HD2      LEU 118 -10.839 -13.077  -4.230
 1136    MD1  LEU 118           QD1      LEU 118  -9.561 -15.074  -2.538
 1137    MD2  LEU 118           QD2      LEU 118 -10.595 -13.615  -5.059
 1138    QB   LEU 118           QB       LEU 118 -10.044 -16.316  -5.545
 1139    QD   LEU 118           QQD      LEU 118 -10.078 -14.344  -3.798
 1140    H    GLY 119           H        GLY 119 -10.809 -18.594  -2.047
 1141   1HA   GLY 119          1HA       GLY 119  -8.128 -18.245  -1.115
 1142   2HA   GLY 119          2HA       GLY 119  -8.443 -19.935  -1.481
 1143    QA   GLY 119           QA       GLY 119  -8.285 -19.090  -1.298
 1144    H    LEU 120           H        LEU 120 -10.808 -17.686  -0.278
 1145    HA   LEU 120           HA       LEU 120 -10.617 -18.463   2.471
 1146   1HB   LEU 120          2HB       LEU 120 -12.768 -17.038   0.913
 1147   2HB   LEU 120          1HB       LEU 120 -12.937 -17.429   2.601
 1148    HG   LEU 120           HG       LEU 120 -10.977 -15.904   3.073
 1149   1HD1  LEU 120          1HD1      LEU 120  -9.868 -16.014   0.907
 1150   2HD1  LEU 120          3HD1      LEU 120 -11.226 -15.172   0.158
 1151   3HD1  LEU 120          2HD1      LEU 120 -10.227 -14.345   1.355
 1152   1HD2  LEU 120          3HD2      LEU 120 -13.324 -15.118   3.239
 1153   2HD2  LEU 120          2HD2      LEU 120 -12.210 -13.827   2.801
 1154   3HD2  LEU 120          1HD2      LEU 120 -13.244 -14.554   1.580
 1155    MD1  LEU 120           QD1      LEU 120 -10.441 -15.177   0.807
 1156    MD2  LEU 120           QD2      LEU 120 -12.926 -14.500   2.540
 1157    QB   LEU 120           QB       LEU 120 -12.852 -17.234   1.757
 1158    QD   LEU 120           QQD      LEU 120 -11.683 -14.838   1.673
 1159    H    ALA 121           H        ALA 121 -12.928 -19.140  -0.119
 1160    HA   ALA 121           HA       ALA 121 -13.883 -21.253   1.554
 1161   1HB   ALA 121          3HB       ALA 121 -15.962 -21.309   0.232
 1162   2HB   ALA 121          1HB       ALA 121 -15.347 -19.990  -0.756
 1163   3HB   ALA 121          2HB       ALA 121 -15.672 -19.738   0.965
 1164    MB   ALA 121           QB       ALA 121 -15.661 -20.346   0.147
 1165    H    GLU 122           H        GLU 122 -12.337 -22.677   1.011
 1166    HA   GLU 122           HA       GLU 122 -12.678 -23.968  -1.570
 1167   1HB   GLU 122          2HB       GLU 122 -10.489 -22.559  -1.246
 1168   2HB   GLU 122          1HB       GLU 122 -10.033 -23.800  -0.095
 1169   1HG   GLU 122          2HG       GLU 122 -10.729 -24.487  -2.933
 1170   2HG   GLU 122          1HG       GLU 122  -9.128 -23.909  -2.506
 1171    QB   GLU 122           QB       GLU 122 -10.261 -23.179  -0.671
 1172    QG   GLU 122           QG       GLU 122  -9.928 -24.198  -2.720
 1173    H    SER 123           H        SER 123 -12.070 -26.361  -1.189
 1174    HA   SER 123           HA       SER 123 -13.523 -27.089   1.148
 1175   1HB   SER 123          2HB       SER 123 -12.238 -28.802  -0.971
 1176   2HB   SER 123          1HB       SER 123 -13.490 -29.304   0.167
 1177    HG   SER 123           HG       SER 123 -14.744 -28.732  -1.396
 1178    QB   SER 123           QB       SER 123 -12.864 -29.053  -0.402
 1179    H    ARG 124           H        ARG 124 -12.432 -26.958   2.995
 1180    HA   ARG 124           HA       ARG 124  -9.863 -28.388   3.119
 1181   1HB   ARG 124          2HB       ARG 124  -8.829 -26.739   4.521
 1182   2HB   ARG 124          1HB       ARG 124  -9.459 -25.920   3.115
 1183   1HG   ARG 124          2HG       ARG 124 -10.809 -25.950   5.816
 1184   2HG   ARG 124          1HG       ARG 124  -9.723 -24.681   5.256
 1185   1HD   ARG 124          2HD       ARG 124 -11.261 -24.171   3.442
 1186   2HD   ARG 124          1HD       ARG 124 -12.327 -25.469   3.967
 1187    HE   ARG 124           HE       ARG 124 -11.879 -23.727   6.113
 1188   1HH1  ARG 124          1HH1      ARG 124 -13.592 -23.770   3.012
 1189   2HH1  ARG 124          2HH1      ARG 124 -14.779 -22.658   3.507
 1190   1HH2  ARG 124          1HH2      ARG 124 -13.487 -22.212   6.773
 1191   2HH2  ARG 124          2HH2      ARG 124 -14.704 -21.723   5.687
 1192    QB   ARG 124           QB       ARG 124  -9.144 -26.330   3.818
 1193    QG   ARG 124           QG       ARG 124 -10.266 -25.315   5.536
 1194    QD   ARG 124           QD       ARG 124 -11.794 -24.820   3.704
 1195    QH1  ARG 124           QH1      ARG 124 -14.186 -23.214   3.259
 1196    QH2  ARG 124           QH2      ARG 124 -14.095 -21.967   6.230
 1197    H    GLN 125           H        GLN 125 -12.749 -28.939   3.987
 1198    HA   GLN 125           HA       GLN 125 -12.118 -29.414   6.786
 1199   1HB   GLN 125          2HB       GLN 125 -14.628 -29.859   7.094
 1200   2HB   GLN 125          1HB       GLN 125 -14.091 -28.216   6.885
 1201   1HG   GLN 125          2HG       GLN 125 -16.116 -28.442   5.671
 1202   2HG   GLN 125          1HG       GLN 125 -14.825 -28.369   4.491
 1203   1HE2  GLN 125          1HE2      GLN 125 -17.579 -29.389   4.373
 1204   2HE2  GLN 125          2HE2      GLN 125 -17.476 -31.018   3.824
 1205    QB   GLN 125           QB       GLN 125 -14.359 -29.037   6.989
 1206    QG   GLN 125           QG       GLN 125 -15.470 -28.405   5.081
 1207    QE   GLN 125           QE2      GLN 125 -17.527 -30.203   4.098

  No H/Q in entry =        1207
  Start of MODEL   10
    1    H1   LEU   5          2HT       LEU   5  -2.203  37.757 -17.926
    2    H2   LEU   5          1HT       LEU   5  -0.896  37.385 -16.957
    3    H3   LEU   5          3HT       LEU   5  -0.683  38.351 -18.343
    4    HA   LEU   5           HA       LEU   5  -1.351  36.520 -19.729
    5   1HB   LEU   5          2HB       LEU   5   0.801  35.813 -17.733
    6   2HB   LEU   5          1HB       LEU   5   0.428  34.786 -19.104
    7    HG   LEU   5           HG       LEU   5   2.354  35.968 -19.664
    8   1HD1  LEU   5          2HD1      LEU   5   0.815  35.830 -21.477
    9   2HD1  LEU   5          1HD1      LEU   5   0.072  37.358 -21.013
   10   3HD1  LEU   5          3HD1      LEU   5   1.741  37.326 -21.569
   11   1HD2  LEU   5          1HD2      LEU   5   2.280  37.689 -17.958
   12   2HD2  LEU   5          3HD2      LEU   5   2.620  38.394 -19.537
   13   3HD2  LEU   5          2HD2      LEU   5   1.008  38.538 -18.837
   14    MD1  LEU   5           QD1      LEU   5   0.876  36.838 -21.353
   15    MD2  LEU   5           QD2      LEU   5   1.969  38.207 -18.777
   16    QB   LEU   5           QB       LEU   5   0.615  35.300 -18.418
   17    QD   LEU   5           QQD      LEU   5   1.423  37.523 -20.065
   18    H    GLU   6           H        GLU   6  -1.547  34.028 -19.723
   19    HA   GLU   6           HA       GLU   6  -3.929  33.524 -18.297
   20   1HB   GLU   6          2HB       GLU   6  -3.490  32.706 -20.626
   21   2HB   GLU   6          1HB       GLU   6  -2.257  31.686 -19.885
   22   1HG   GLU   6          2HG       GLU   6  -4.347  30.603 -20.515
   23   2HG   GLU   6          1HG       GLU   6  -3.897  30.357 -18.814
   24    QB   GLU   6           QB       GLU   6  -2.873  32.196 -20.255
   25    QG   GLU   6           QG       GLU   6  -4.122  30.480 -19.665
   26    H    ALA   7           H        ALA   7  -4.365  31.833 -16.944
   27    HA   ALA   7           HA       ALA   7  -2.312  31.338 -14.977
   28   1HB   ALA   7          2HB       ALA   7  -4.072  30.287 -13.710
   29   2HB   ALA   7          1HB       ALA   7  -4.576  31.891 -14.240
   30   3HB   ALA   7          3HB       ALA   7  -5.192  30.452 -15.067
   31    MB   ALA   7           QB       ALA   7  -4.613  30.876 -14.339
   32    H    ASP   8           H        ASP   8  -1.252  29.532 -14.782
   33    HA   ASP   8           HA       ASP   8  -1.237  27.688 -16.947
   34   1HB   ASP   8          2HB       ASP   8   0.824  28.381 -15.742
   35   2HB   ASP   8          1HB       ASP   8   0.230  27.549 -14.308
   36    QB   ASP   8           QB       ASP   8   0.527  27.965 -15.025
   37    H    VAL   9           H        VAL   9  -2.006  25.645 -17.011
   38    HA   VAL   9           HA       VAL   9  -4.117  25.067 -15.481
   39    HB   VAL   9           HB       VAL   9  -4.105  22.795 -16.546
   40   1HG1  VAL   9          1HG1      VAL   9  -3.755  25.217 -18.322
   41   2HG1  VAL   9          3HG1      VAL   9  -4.512  23.701 -18.810
   42   3HG1  VAL   9          2HG1      VAL   9  -5.263  24.694 -17.563
   43   1HG2  VAL   9          3HG2      VAL   9  -1.668  22.698 -16.679
   44   2HG2  VAL   9          2HG2      VAL   9  -2.445  22.342 -18.245
   45   3HG2  VAL   9          1HG2      VAL   9  -1.709  23.930 -17.923
   46    MG1  VAL   9           QG1      VAL   9  -4.510  24.537 -18.231
   47    MG2  VAL   9           QG2      VAL   9  -1.941  22.990 -17.616
   48    QG   VAL   9           QQG      VAL   9  -3.225  23.763 -17.924
   49    H    THR  10           H        THR  10  -0.806  24.396 -14.883
   50    HA   THR  10           HA       THR  10   0.383  23.143 -13.548
   51    HB   THR  10           HB       THR  10  -0.237  22.989 -11.277
   52    HG1  THR  10          1HG       THR  10  -2.722  23.397 -12.227
   53   1HG2  THR  10          2HG2      THR  10   0.851  24.991 -12.036
   54   2HG2  THR  10          1HG2      THR  10  -0.694  25.705 -12.505
   55   3HG2  THR  10          3HG2      THR  10  -0.323  25.441 -10.801
   56    MG   THR  10           QG2      THR  10  -0.056  25.379 -11.780
   57    H    MET  11           H        MET  11   0.142  21.466 -15.026
   58    HA   MET  11           HA       MET  11  -1.407  19.154 -14.213
   59   1HB   MET  11          2HB       MET  11   0.659  19.596 -16.361
   60   2HB   MET  11          1HB       MET  11  -0.204  18.092 -16.118
   61   1HG   MET  11          2HG       MET  11  -2.288  19.161 -16.650
   62   2HG   MET  11          1HG       MET  11  -1.488  20.724 -16.783
   63   1HE   MET  11          1HE       MET  11   0.278  21.321 -18.634
   64   2HE   MET  11          3HE       MET  11   1.262  19.882 -18.339
   65   3HE   MET  11          2HE       MET  11   0.723  20.275 -19.972
   66    QB   MET  11           QB       MET  11   0.227  18.844 -16.240
   67    QG   MET  11           QG       MET  11  -1.888  19.943 -16.716
   68    ME   MET  11           QE       MET  11   0.754  20.493 -18.982
   69    H    THR  12           H        THR  12   1.884  20.313 -14.370
   70    HA   THR  12           HA       THR  12   2.864  17.981 -12.940
   71    HB   THR  12           HB       THR  12   4.972  18.759 -13.701
   72    HG1  THR  12          1HG       THR  12   4.823  20.844 -14.443
   73   1HG2  THR  12          1HG2      THR  12   3.831  16.984 -14.868
   74   2HG2  THR  12          3HG2      THR  12   2.965  18.154 -15.867
   75   3HG2  THR  12          2HG2      THR  12   4.710  17.967 -16.037
   76    MG   THR  12           QG2      THR  12   3.835  17.701 -15.590
   77    H    GLY  13           H        GLY  13   4.998  18.778 -11.766
   78   1HA   GLY  13          1HA       GLY  13   4.373  19.863  -9.440
   79   2HA   GLY  13          2HA       GLY  13   4.681  21.292 -10.438
   80    QA   GLY  13           QA       GLY  13   4.527  20.577  -9.939
   81    H    SER  14           H        SER  14   6.081  19.589  -8.242
   82    HA   SER  14           HA       SER  14   8.532  18.776  -9.503
   83   1HB   SER  14          2HB       SER  14   8.526  21.250  -7.758
   84   2HB   SER  14          1HB       SER  14   9.974  20.329  -8.163
   85    HG   SER  14           HG       SER  14   8.551  20.881 -10.357
   86    QB   SER  14           QB       SER  14   9.250  20.789  -7.961
   87    H    ASP  15           H        ASP  15   6.606  19.290  -6.501
   88    HA   ASP  15           HA       ASP  15   8.537  17.736  -5.144
   89   1HB   ASP  15          2HB       ASP  15   7.571  18.697  -3.198
   90   2HB   ASP  15          1HB       ASP  15   8.241  19.952  -4.204
   91    QB   ASP  15           QB       ASP  15   7.906  19.324  -3.701
   92    H    LEU  16           H        LEU  16   6.955  16.428  -6.720
   93    HA   LEU  16           HA       LEU  16   5.594  14.854  -4.708
   94   1HB   LEU  16          2HB       LEU  16   5.011  14.873  -7.622
   95   2HB   LEU  16          1HB       LEU  16   4.158  13.957  -6.387
   96    HG   LEU  16           HG       LEU  16   2.695  15.528  -6.860
   97   1HD1  LEU  16          3HD1      LEU  16   2.912  15.694  -4.549
   98   2HD1  LEU  16          2HD1      LEU  16   4.187  16.897  -4.696
   99   3HD1  LEU  16          1HD1      LEU  16   2.540  17.297  -5.193
  100   1HD2  LEU  16          3HD2      LEU  16   4.880  17.468  -7.443
  101   2HD2  LEU  16          2HD2      LEU  16   3.727  16.619  -8.502
  102   3HD2  LEU  16          1HD2      LEU  16   3.143  17.891  -7.432
  103    MD1  LEU  16           QD1      LEU  16   3.213  16.629  -4.812
  104    MD2  LEU  16           QD2      LEU  16   3.917  17.326  -7.792
  105    QB   LEU  16           QB       LEU  16   4.584  14.415  -7.004
  106    QD   LEU  16           QQD      LEU  16   3.565  16.978  -6.302
  107    H    VAL  17           H        VAL  17   5.809  12.770  -4.769
  108    HA   VAL  17           HA       VAL  17   7.818  11.744  -6.346
  109    HB   VAL  17           HB       VAL  17   8.013  12.061  -3.359
  110   1HG1  VAL  17          3HG1      VAL  17   9.167  10.017  -5.062
  111   2HG1  VAL  17          2HG1      VAL  17   9.974  10.454  -3.507
  112   3HG1  VAL  17          1HG1      VAL  17   8.276   9.835  -3.543
  113   1HG2  VAL  17          3HG2      VAL  17   9.207  13.702  -4.758
  114   2HG2  VAL  17          2HG2      VAL  17  10.328  12.732  -3.799
  115   3HG2  VAL  17          1HG2      VAL  17  10.104  12.390  -5.512
  116    MG1  VAL  17           QG1      VAL  17   9.139  10.102  -4.037
  117    MG2  VAL  17           QG2      VAL  17   9.880  12.941  -4.690
  118    QG   VAL  17           QQG      VAL  17   9.509  11.522  -4.363
  119    H    SER  18           H        SER  18   7.598   9.405  -6.233
  120    HA   SER  18           HA       SER  18   5.295   8.410  -4.767
  121   1HB   SER  18          2HB       SER  18   4.644   8.884  -7.139
  122   2HB   SER  18          1HB       SER  18   5.850   7.700  -7.648
  123    HG   SER  18           HG       SER  18   3.819   7.105  -5.787
  124    QB   SER  18           QB       SER  18   5.247   8.292  -7.393
  125    H    CYS  19           H        CYS  19   5.921   6.824  -3.592
  126    HA   CYS  19           HA       CYS  19   8.215   5.241  -4.403
  127   1HB   CYS  19          2HB       CYS  19   6.684   5.354  -1.787
  128   2HB   CYS  19          1HB       CYS  19   8.123   4.383  -2.087
  129    HG   CYS  19           HG       CYS  19   9.861   6.239  -1.490
  130    QB   CYS  19           QB       CYS  19   7.403   4.869  -1.937
  131    H    CYS  20           H        CYS  20   7.883   3.248  -5.178
  132    HA   CYS  20           HA       CYS  20   5.114   2.242  -5.175
  133   1HB   CYS  20          2HB       CYS  20   7.260   1.842  -7.283
  134   2HB   CYS  20          1HB       CYS  20   5.597   1.279  -7.366
  135    HG   CYS  20           HG       CYS  20   5.323   4.442  -6.925
  136    QB   CYS  20           QB       CYS  20   6.428   1.561  -7.324
  137    H    TYR  21           H        TYR  21   5.118   0.499  -3.742
  138    HA   TYR  21           HA       TYR  21   7.713  -0.834  -3.573
  139   1HB   TYR  21          2HB       TYR  21   7.531  -1.078  -1.292
  140   2HB   TYR  21          1HB       TYR  21   7.133   0.602  -1.625
  141    HD1  TYR  21          1HD       TYR  21   5.590  -2.715  -0.706
  142    HD2  TYR  21          2HD       TYR  21   5.364   1.541  -0.526
  143    HE1  TYR  21          1HE       TYR  21   3.804  -2.872   0.958
  144    HE2  TYR  21          2HE       TYR  21   3.637   1.379   1.100
  145    HH   TYR  21           HH       TYR  21   1.907  -0.284   1.827
  146    QB   TYR  21           QB       TYR  21   7.332  -0.238  -1.458
  147    QD   TYR  21           QD       TYR  21   5.477  -0.587  -0.616
  148    QE   TYR  21           QE       TYR  21   3.721  -0.746   1.029
  149    QR   TYR  21           QR       TYR  21   4.599  -0.667   0.206
  150    H    ARG  22           H        ARG  22   7.612  -3.014  -2.827
  151    HA   ARG  22           HA       ARG  22   4.969  -4.173  -3.061
  152   1HB   ARG  22          2HB       ARG  22   5.532  -5.736  -4.642
  153   2HB   ARG  22          1HB       ARG  22   6.890  -4.675  -4.955
  154   1HG   ARG  22          2HG       ARG  22   7.072  -6.922  -2.983
  155   2HG   ARG  22          1HG       ARG  22   7.383  -7.160  -4.699
  156   1HD   ARG  22          2HD       ARG  22   9.234  -5.663  -4.631
  157   2HD   ARG  22          1HD       ARG  22   8.796  -5.106  -3.014
  158    HE   ARG  22           HE       ARG  22   9.718  -7.002  -2.101
  159   1HH1  ARG  22          1HH1      ARG  22   9.584  -7.459  -5.611
  160   2HH1  ARG  22          2HH1      ARG  22  10.761  -8.687  -5.610
  161   1HH2  ARG  22          1HH2      ARG  22  11.325  -8.603  -2.122
  162   2HH2  ARG  22          2HH2      ARG  22  11.773  -9.382  -3.579
  163    QB   ARG  22           QB       ARG  22   6.211  -5.205  -4.798
  164    QG   ARG  22           QG       ARG  22   7.227  -7.041  -3.841
  165    QD   ARG  22           QD       ARG  22   9.015  -5.384  -3.822
  166    QH1  ARG  22           QH1      ARG  22  10.173  -8.073  -5.610
  167    QH2  ARG  22           QH2      ARG  22  11.549  -8.993  -2.850
  168    H    SER  23           H        SER  23   4.635  -5.920  -1.771
  169    HA   SER  23           HA       SER  23   6.775  -6.619  -0.051
  170   1HB   SER  23          2HB       SER  23   4.987  -6.629   1.907
  171   2HB   SER  23          1HB       SER  23   5.883  -5.169   1.531
  172    HG   SER  23           HG       SER  23   3.973  -4.854   0.020
  173    QB   SER  23           QB       SER  23   5.435  -5.899   1.719
  174    H    LEU  24           H        LEU  24   6.072  -8.617   1.250
  175    HA   LEU  24           HA       LEU  24   4.478 -10.218  -0.635
  176   1HB   LEU  24          2HB       LEU  24   6.905 -11.048   0.949
  177   2HB   LEU  24          1HB       LEU  24   5.837 -12.225   0.229
  178    HG   LEU  24           HG       LEU  24   7.794 -11.981  -1.134
  179   1HD1  LEU  24          3HD1      LEU  24   5.741 -12.428  -2.296
  180   2HD1  LEU  24          2HD1      LEU  24   5.441 -10.698  -2.477
  181   3HD1  LEU  24          1HD1      LEU  24   6.817 -11.443  -3.285
  182   1HD2  LEU  24          2HD2      LEU  24   8.438  -9.651  -0.498
  183   2HD2  LEU  24          1HD2      LEU  24   8.430  -9.912  -2.252
  184   3HD2  LEU  24          3HD2      LEU  24   7.088  -9.078  -1.485
  185    MD1  LEU  24           QD1      LEU  24   6.000 -11.523  -2.686
  186    MD2  LEU  24           QD2      LEU  24   7.986  -9.547  -1.412
  187    QB   LEU  24           QB       LEU  24   6.371 -11.637   0.589
  188    QD   LEU  24           QQD      LEU  24   6.993 -10.535  -2.049
  189    H    ALA  25           H        ALA  25   3.047  -8.998   1.031
  190    HA   ALA  25           HA       ALA  25   2.069  -9.025   3.278
  191   1HB   ALA  25          3HB       ALA  25   0.521 -10.850   1.456
  192   2HB   ALA  25          1HB       ALA  25   0.514  -9.080   1.420
  193   3HB   ALA  25          2HB       ALA  25  -0.098  -9.921   2.834
  194    MB   ALA  25           QB       ALA  25   0.312  -9.950   1.903
  195    H    ALA  26           H        ALA  26   2.542  -9.929   5.232
  196    HA   ALA  26           HA       ALA  26   3.935 -12.209   5.275
  197   1HB   ALA  26          2HB       ALA  26   4.328 -10.450   6.737
  198   2HB   ALA  26          1HB       ALA  26   2.679 -10.503   7.384
  199   3HB   ALA  26          3HB       ALA  26   3.805 -11.832   7.721
  200    MB   ALA  26           QB       ALA  26   3.604 -10.929   7.281
  201    HA   PRO  27           HA       PRO  27   0.765 -15.307   5.334
  202   1HB   PRO  27          2HB       PRO  27   2.178 -17.192   6.713
  203   2HB   PRO  27          1HB       PRO  27   2.462 -16.829   5.000
  204   1HG   PRO  27          2HG       PRO  27   3.795 -15.540   7.384
  205   2HG   PRO  27          1HG       PRO  27   4.627 -16.424   6.038
  206   1HD   PRO  27          2HD       PRO  27   4.523 -13.886   6.059
  207   2HD   PRO  27          1HD       PRO  27   3.932 -14.673   4.574
  208    QB   PRO  27           QB       PRO  27   2.320 -17.010   5.856
  209    QG   PRO  27           QG       PRO  27   4.211 -15.982   6.711
  210    QD   PRO  27           QD       PRO  27   4.228 -14.280   5.316
  211    H    ASP  28           H        ASP  28   2.020 -13.869   7.956
  212    HA   ASP  28           HA       ASP  28   0.284 -15.236   9.901
  213   1HB   ASP  28          2HB       ASP  28   1.697 -14.254  11.685
  214   2HB   ASP  28          1HB       ASP  28   2.623 -15.241  10.570
  215    QB   ASP  28           QB       ASP  28   2.160 -14.748  11.128
  216    H    LEU  29           H        LEU  29  -0.141 -12.944   7.907
  217    HA   LEU  29           HA       LEU  29  -0.828 -10.735   9.491
  218   1HB   LEU  29          2HB       LEU  29  -1.087 -11.426   6.661
  219   2HB   LEU  29          1HB       LEU  29  -2.221 -10.242   7.285
  220    HG   LEU  29           HG       LEU  29   0.762 -10.013   7.562
  221   1HD1  LEU  29          1HD1      LEU  29  -1.191  -8.821   5.637
  222   2HD1  LEU  29          3HD1      LEU  29   0.430  -8.178   5.908
  223   3HD1  LEU  29          2HD1      LEU  29   0.284  -9.790   5.230
  224   1HD2  LEU  29          2HD2      LEU  29  -1.554  -8.206   8.149
  225   2HD2  LEU  29          1HD2      LEU  29  -0.372  -8.821   9.295
  226   3HD2  LEU  29          3HD2      LEU  29   0.108  -7.650   8.061
  227    MD1  LEU  29           QD1      LEU  29  -0.159  -8.930   5.592
  228    MD2  LEU  29           QD2      LEU  29  -0.606  -8.226   8.502
  229    QB   LEU  29           QB       LEU  29  -1.654 -10.834   6.973
  230    QD   LEU  29           QQD      LEU  29  -0.383  -8.578   7.047
  231    H    THR  30           H        THR  30  -2.568 -10.008  10.263
  232    HA   THR  30           HA       THR  30  -4.884 -11.709  10.424
  233    HB   THR  30           HB       THR  30  -5.190  -9.703  12.000
  234    HG1  THR  30          1HG       THR  30  -3.219  -8.838  12.497
  235   1HG2  THR  30          1HG2      THR  30  -3.773 -12.273  12.350
  236   2HG2  THR  30          3HG2      THR  30  -4.326 -11.288  13.732
  237   3HG2  THR  30          2HG2      THR  30  -5.514 -11.865  12.535
  238    MG   THR  30           QG2      THR  30  -4.538 -11.808  12.873
  239    H    LEU  31           H        LEU  31  -6.754 -11.110   9.728
  240    HA   LEU  31           HA       LEU  31  -7.150  -9.218   7.662
  241   1HB   LEU  31          2HB       LEU  31  -8.522 -11.249   8.324
  242   2HB   LEU  31          1HB       LEU  31  -8.973 -10.160   9.658
  243    HG   LEU  31           HG       LEU  31 -10.035  -8.623   8.111
  244   1HD1  LEU  31          1HD1      LEU  31  -8.717  -9.075   6.127
  245   2HD1  LEU  31          3HD1      LEU  31  -9.494 -10.662   5.965
  246   3HD1  LEU  31          2HD1      LEU  31 -10.448  -9.169   5.840
  247   1HD2  LEU  31          3HD2      LEU  31 -11.043 -11.445   7.880
  248   2HD2  LEU  31          2HD2      LEU  31 -11.381 -10.298   9.178
  249   3HD2  LEU  31          1HD2      LEU  31 -11.978  -9.985   7.549
  250    MD1  LEU  31           QD1      LEU  31  -9.553  -9.635   5.977
  251    MD2  LEU  31           QD2      LEU  31 -11.468 -10.576   8.202
  252    QB   LEU  31           QB       LEU  31  -8.748 -10.704   8.991
  253    QD   LEU  31           QQD      LEU  31 -10.510 -10.106   7.090
  254    H    ARG  32           H        ARG  32  -7.652  -9.039  11.192
  255    HA   ARG  32           HA       ARG  32  -9.097  -6.621  10.859
  256   1HB   ARG  32          2HB       ARG  32  -9.297  -8.047  12.896
  257   2HB   ARG  32          1HB       ARG  32  -7.712  -7.496  13.400
  258   1HG   ARG  32          2HG       ARG  32  -9.469  -6.212  14.541
  259   2HG   ARG  32          1HG       ARG  32  -8.527  -5.192  13.427
  260   1HD   ARG  32          2HD       ARG  32 -11.017  -4.816  13.328
  261   2HD   ARG  32          1HD       ARG  32 -10.246  -5.205  11.793
  262    HE   ARG  32           HE       ARG  32 -11.149  -7.573  12.959
  263   1HH1  ARG  32          1HH1      ARG  32 -12.585  -4.616  11.631
  264   2HH1  ARG  32          2HH1      ARG  32 -13.910  -5.431  10.926
  265   1HH2  ARG  32          1HH2      ARG  32 -12.908  -8.668  11.970
  266   2HH2  ARG  32          2HH2      ARG  32 -14.088  -7.799  11.097
  267    QB   ARG  32           QB       ARG  32  -8.505  -7.772  13.148
  268    QG   ARG  32           QG       ARG  32  -8.998  -5.702  13.984
  269    QD   ARG  32           QD       ARG  32 -10.632  -5.011  12.561
  270    QH1  ARG  32           QH1      ARG  32 -13.247  -5.024  11.278
  271    QH2  ARG  32           QH2      ARG  32 -13.498  -8.234  11.534
  272    H    ASP  33           H        ASP  33  -5.792  -7.394  11.031
  273    HA   ASP  33           HA       ASP  33  -4.895  -4.769  11.468
  274   1HB   ASP  33          2HB       ASP  33  -3.564  -7.235  10.413
  275   2HB   ASP  33          1HB       ASP  33  -2.760  -5.681  10.263
  276    QB   ASP  33           QB       ASP  33  -3.162  -6.458  10.338
  277    H    LEU  34           H        LEU  34  -5.616  -6.642   8.471
  278    HA   LEU  34           HA       LEU  34  -4.673  -4.501   6.762
  279   1HB   LEU  34          2HB       LEU  34  -6.678  -6.670   6.100
  280   2HB   LEU  34          1HB       LEU  34  -6.112  -5.492   4.951
  281    HG   LEU  34           HG       LEU  34  -5.010  -7.546   4.521
  282   1HD1  LEU  34          3HD1      LEU  34  -3.616  -5.583   4.245
  283   2HD1  LEU  34          2HD1      LEU  34  -3.078  -5.718   5.921
  284   3HD1  LEU  34          1HD1      LEU  34  -2.663  -6.976   4.763
  285   1HD2  LEU  34          3HD2      LEU  34  -5.434  -8.400   6.763
  286   2HD2  LEU  34          2HD2      LEU  34  -3.806  -8.812   6.148
  287   3HD2  LEU  34          1HD2      LEU  34  -4.051  -7.490   7.332
  288    MD1  LEU  34           QD1      LEU  34  -3.119  -6.092   4.976
  289    MD2  LEU  34           QD2      LEU  34  -4.430  -8.234   6.748
  290    QB   LEU  34           QB       LEU  34  -6.395  -6.081   5.525
  291    QD   LEU  34           QQD      LEU  34  -3.775  -7.163   5.862
  292    H    LEU  35           H        LEU  35  -7.661  -5.291   8.192
  293    HA   LEU  35           HA       LEU  35  -9.202  -3.376   6.777
  294   1HB   LEU  35          2HB       LEU  35  -9.692  -5.025   9.228
  295   2HB   LEU  35          1HB       LEU  35 -10.842  -3.797   8.750
  296    HG   LEU  35           HG       LEU  35 -11.325  -6.215   8.009
  297   1HD1  LEU  35          1HD1      LEU  35 -12.448  -4.221   7.059
  298   2HD1  LEU  35          3HD1      LEU  35 -11.143  -4.058   5.884
  299   3HD1  LEU  35          2HD1      LEU  35 -12.191  -5.467   5.833
  300   1HD2  LEU  35          2HD2      LEU  35  -8.975  -6.633   7.243
  301   2HD2  LEU  35          1HD2      LEU  35 -10.191  -6.997   5.975
  302   3HD2  LEU  35          3HD2      LEU  35  -9.232  -5.511   5.965
  303    MD1  LEU  35           QD1      LEU  35 -11.927  -4.582   6.259
  304    MD2  LEU  35           QD2      LEU  35  -9.466  -6.380   6.394
  305    QB   LEU  35           QB       LEU  35 -10.267  -4.411   8.989
  306    QD   LEU  35           QQD      LEU  35 -10.697  -5.481   6.326
  307    H    ASP  36           H        ASP  36  -7.610  -3.317   9.829
  308    HA   ASP  36           HA       ASP  36  -8.360  -0.572  10.336
  309   1HB   ASP  36          2HB       ASP  36  -6.548  -2.475  11.638
  310   2HB   ASP  36          1HB       ASP  36  -6.009  -0.805  11.726
  311    QB   ASP  36           QB       ASP  36  -6.279  -1.640  11.682
  312    H    ILE  37           H        ILE  37  -5.593  -2.066   8.797
  313    HA   ILE  37           HA       ILE  37  -4.035   0.156   8.271
  314    HB   ILE  37           HB       ILE  37  -4.469  -2.387   6.714
  315   1HG1  ILE  37          2HG1      ILE  37  -1.928  -1.419   7.990
  316   2HG1  ILE  37          1HG1      ILE  37  -3.150  -2.243   8.938
  317   1HG2  ILE  37          2HG2      ILE  37  -3.926  -0.726   5.023
  318   2HG2  ILE  37          1HG2      ILE  37  -2.518  -0.209   5.954
  319   3HG2  ILE  37          3HG2      ILE  37  -2.572  -1.829   5.258
  320   1HD1  ILE  37          3HD1      ILE  37  -1.877  -3.355   6.468
  321   2HD1  ILE  37          2HD1      ILE  37  -1.304  -3.696   8.106
  322   3HD1  ILE  37          1HD1      ILE  37  -2.916  -4.216   7.587
  323    MG   ILE  37           QG2      ILE  37  -3.005  -0.921   5.412
  324    MD   ILE  37           QD1      ILE  37  -2.032  -3.756   7.387
  325    QG   ILE  37           QG1      ILE  37  -2.539  -1.831   8.464
  326    H    VAL  38           H        VAL  38  -6.526  -1.228   6.150
  327    HA   VAL  38           HA       VAL  38  -6.401   0.706   4.163
  328    HB   VAL  38           HB       VAL  38  -7.704  -1.345   3.715
  329   1HG1  VAL  38          3HG1      VAL  38  -8.588  -1.707   5.901
  330   2HG1  VAL  38          2HG1      VAL  38  -9.736  -0.387   5.664
  331   3HG1  VAL  38          1HG1      VAL  38  -9.821  -1.829   4.644
  332   1HG2  VAL  38          2HG2      VAL  38  -8.332   0.613   2.373
  333   2HG2  VAL  38          1HG2      VAL  38  -9.719  -0.431   2.680
  334   3HG2  VAL  38          3HG2      VAL  38  -9.521   1.058   3.595
  335    MG1  VAL  38           QG1      VAL  38  -9.382  -1.308   5.403
  336    MG2  VAL  38           QG2      VAL  38  -9.191   0.413   2.883
  337    QG   VAL  38           QQG      VAL  38  -9.286  -0.447   4.143
  338    H    GLU  39           H        GLU  39  -8.515   0.778   6.989
  339    HA   GLU  39           HA       GLU  39  -9.716   3.216   6.302
  340   1HB   GLU  39          2HB       GLU  39  -9.560   1.662   8.861
  341   2HB   GLU  39          1HB       GLU  39 -10.466   3.158   8.778
  342   1HG   GLU  39          2HG       GLU  39 -11.790   2.174   6.898
  343   2HG   GLU  39          1HG       GLU  39 -10.903   0.671   7.139
  344    QB   GLU  39           QB       GLU  39 -10.013   2.410   8.820
  345    QG   GLU  39           QG       GLU  39 -11.347   1.423   7.019
  346    H    THR  40           H        THR  40  -6.907   2.491   8.265
  347    HA   THR  40           HA       THR  40  -6.615   5.186   9.193
  348    HB   THR  40           HB       THR  40  -4.617   2.911   9.228
  349    HG1  THR  40          1HG       THR  40  -6.352   2.243  10.298
  350   1HG2  THR  40          2HG2      THR  40  -3.595   5.117   9.698
  351   2HG2  THR  40          1HG2      THR  40  -4.809   5.404  10.942
  352   3HG2  THR  40          3HG2      THR  40  -3.628   4.116  11.150
  353    MG   THR  40           QG2      THR  40  -4.011   4.879  10.596
  354    H    SER  41           H        SER  41  -5.276   3.319   6.523
  355    HA   SER  41           HA       SER  41  -3.200   5.035   5.813
  356   1HB   SER  41          2HB       SER  41  -3.489   2.690   4.996
  357   2HB   SER  41          1HB       SER  41  -4.819   3.241   3.985
  358    HG   SER  41           HG       SER  41  -3.069   4.799   3.180
  359    QB   SER  41           QB       SER  41  -4.154   2.965   4.491
  360    H    GLN  42           H        GLN  42  -6.591   4.946   4.744
  361    HA   GLN  42           HA       GLN  42  -6.519   6.982   2.811
  362   1HB   GLN  42          2HB       GLN  42  -8.703   6.238   4.731
  363   2HB   GLN  42          1HB       GLN  42  -8.917   7.268   3.323
  364   1HG   GLN  42          2HG       GLN  42  -8.540   5.563   1.843
  365   2HG   GLN  42          1HG       GLN  42  -7.704   4.615   3.077
  366   1HE2  GLN  42          1HE2      GLN  42  -9.743   4.968   5.093
  367   2HE2  GLN  42          2HE2      GLN  42 -11.000   3.937   4.501
  368    QB   GLN  42           QB       GLN  42  -8.810   6.753   4.027
  369    QG   GLN  42           QG       GLN  42  -8.122   5.089   2.460
  370    QE   GLN  42           QE2      GLN  42 -10.371   4.453   4.797
  371    H    ALA  43           H        ALA  43  -6.994   7.068   6.239
  372    HA   ALA  43           HA       ALA  43  -7.722   9.757   6.441
  373   1HB   ALA  43          3HB       ALA  43  -7.630   9.369   8.797
  374   2HB   ALA  43          1HB       ALA  43  -6.538   7.979   8.558
  375   3HB   ALA  43          2HB       ALA  43  -8.180   7.887   7.973
  376    MB   ALA  43           QB       ALA  43  -7.449   8.412   8.442
  377    H    HIS  44           H        HIS  44  -4.564   8.162   6.899
  378    HA   HIS  44           HA       HIS  44  -3.257  10.670   7.469
  379   1HB   HIS  44          2HB       HIS  44  -2.370   8.353   8.198
  380   2HB   HIS  44          1HB       HIS  44  -1.942   8.171   6.495
  381    HD1  HIS  44          1HD       HIS  44   0.405   7.870   8.139
  382    HD2  HIS  44          2HD       HIS  44  -0.876  11.684   7.139
  383    HE1  HIS  44          1HE       HIS  44   2.430   9.314   8.267
  384    HE2  HIS  44          2HE       HIS  44   1.622  11.604   7.952
  385    QB   HIS  44           QB       HIS  44  -2.156   8.262   7.346
  386    H    ASN  45           H        ASN  45  -3.757   8.689   4.594
  387    HA   ASN  45           HA       ASN  45  -1.933  10.214   3.070
  388   1HB   ASN  45          2HB       ASN  45  -3.996   8.185   2.239
  389   2HB   ASN  45          1HB       ASN  45  -2.992   9.037   1.068
  390   1HD2  ASN  45          1HD2      ASN  45  -1.989   7.094   0.433
  391   2HD2  ASN  45          2HD2      ASN  45  -0.834   6.305   1.461
  392    QB   ASN  45           QB       ASN  45  -3.494   8.611   1.654
  393    QD   ASN  45           QD2      ASN  45  -1.412   6.699   0.947
  394    H    ALA  46           H        ALA  46  -5.416  10.395   3.492
  395    HA   ALA  46           HA       ALA  46  -5.896  12.436   1.602
  396   1HB   ALA  46          3HB       ALA  46  -7.877  12.957   2.967
  397   2HB   ALA  46          1HB       ALA  46  -7.211  11.983   4.276
  398   3HB   ALA  46          2HB       ALA  46  -7.695  11.208   2.764
  399    MB   ALA  46           QB       ALA  46  -7.595  12.049   3.336
  400    H    ARG  47           H        ARG  47  -4.816  12.411   4.888
  401    HA   ARG  47           HA       ARG  47  -4.771  15.165   5.428
  402   1HB   ARG  47          2HB       ARG  47  -4.581  13.229   7.065
  403   2HB   ARG  47          1HB       ARG  47  -2.936  13.083   6.435
  404   1HG   ARG  47          2HG       ARG  47  -2.304  15.210   7.304
  405   2HG   ARG  47          1HG       ARG  47  -3.953  15.518   7.861
  406   1HD   ARG  47          2HD       ARG  47  -3.801  13.566   9.349
  407   2HD   ARG  47          1HD       ARG  47  -2.158  13.283   8.792
  408    HE   ARG  47           HE       ARG  47  -2.279  15.871   9.748
  409   1HH1  ARG  47          1HH1      ARG  47  -2.590  12.571  11.045
  410   2HH1  ARG  47          2HH1      ARG  47  -2.019  13.000  12.599
  411   1HH2  ARG  47          1HH2      ARG  47  -1.490  16.410  11.939
  412   2HH2  ARG  47          2HH2      ARG  47  -1.388  15.174  13.103
  413    QB   ARG  47           QB       ARG  47  -3.758  13.156   6.750
  414    QG   ARG  47           QG       ARG  47  -3.128  15.364   7.582
  415    QD   ARG  47           QD       ARG  47  -2.980  13.424   9.070
  416    QH1  ARG  47           QH1      ARG  47  -2.305  12.785  11.822
  417    QH2  ARG  47           QH2      ARG  47  -1.439  15.792  12.521
  418    H    ALA  48           H        ALA  48  -2.157  12.944   4.498
  419    HA   ALA  48           HA       ALA  48  -0.443  15.148   4.260
  420   1HB   ALA  48          1HB       ALA  48   0.405  13.059   5.097
  421   2HB   ALA  48          2HB       ALA  48   1.295  13.593   3.677
  422   3HB   ALA  48          3HB       ALA  48   0.112  12.278   3.536
  423    MB   ALA  48           QB       ALA  48   0.604  12.977   4.103
  424    H    GLN  49           H        GLN  49  -2.760  14.072   2.241
  425    HA   GLN  49           HA       GLN  49  -3.450  14.628   0.173
  426   1HB   GLN  49          2HB       GLN  49  -0.936  16.276   0.143
  427   2HB   GLN  49          1HB       GLN  49  -2.191  16.393  -1.115
  428   1HG   GLN  49          2HG       GLN  49  -3.428  17.648   0.243
  429   2HG   GLN  49          1HG       GLN  49  -3.051  16.489   1.560
  430   1HE2  GLN  49          1HE2      GLN  49  -1.578  16.935   2.993
  431   2HE2  GLN  49          2HE2      GLN  49  -0.548  18.291   3.062
  432    QB   GLN  49           QB       GLN  49  -1.564  16.335  -0.486
  433    QG   GLN  49           QG       GLN  49  -3.239  17.069   0.902
  434    QE   GLN  49           QE2      GLN  49  -1.063  17.613   3.028
  435    H    LEU  50           H        LEU  50  -1.824  12.500   0.807
  436    HA   LEU  50           HA       LEU  50  -0.384  11.733  -1.565
  437   1HB   LEU  50          2HB       LEU  50  -0.848  10.558   1.098
  438   2HB   LEU  50          1HB       LEU  50  -0.535   9.445  -0.220
  439    HG   LEU  50           HG       LEU  50   1.531  10.571  -0.688
  440   1HD1  LEU  50          2HD1      LEU  50   1.039  12.797   0.060
  441   2HD1  LEU  50          1HD1      LEU  50   0.967  12.247   1.731
  442   3HD1  LEU  50          3HD1      LEU  50   2.495  12.191   0.855
  443   1HD2  LEU  50          2HD2      LEU  50   1.518   8.664   0.820
  444   2HD2  LEU  50          1HD2      LEU  50   2.784   9.821   1.261
  445   3HD2  LEU  50          3HD2      LEU  50   1.283   9.774   2.176
  446    MD1  LEU  50           QD1      LEU  50   1.500  12.411   0.882
  447    MD2  LEU  50           QD2      LEU  50   1.862   9.420   1.419
  448    QB   LEU  50           QB       LEU  50  -0.691  10.002   0.439
  449    QD   LEU  50           QQD      LEU  50   1.681  10.916   1.150
  450    H    THR  51           H        THR  51  -1.146  10.708  -3.206
  451    HA   THR  51           HA       THR  51  -3.781   9.534  -3.000
  452    HB   THR  51           HB       THR  51  -4.037  10.119  -5.417
  453    HG1  THR  51          1HG       THR  51  -1.988  10.301  -6.262
  454   1HG2  THR  51          1HG2      THR  51  -4.685  11.563  -3.581
  455   2HG2  THR  51          3HG2      THR  51  -3.099  12.354  -3.666
  456   3HG2  THR  51          2HG2      THR  51  -4.227  12.488  -5.035
  457    MG   THR  51           QG2      THR  51  -4.004  12.135  -4.094
  458    H    GLY  52           H        GLY  52  -4.071   7.507  -4.352
  459   1HA   GLY  52          1HA       GLY  52  -2.334   5.796  -3.093
  460   2HA   GLY  52          2HA       GLY  52  -1.713   5.982  -4.723
  461    QA   GLY  52           QA       GLY  52  -2.024   5.889  -3.908
  462    H    ALA  53           H        ALA  53  -2.090   3.699  -4.286
  463    HA   ALA  53           HA       ALA  53  -4.630   2.577  -4.229
  464   1HB   ALA  53          3HB       ALA  53  -4.836   3.357  -6.562
  465   2HB   ALA  53          1HB       ALA  53  -4.773   1.597  -6.489
  466   3HB   ALA  53          2HB       ALA  53  -3.347   2.518  -6.982
  467    MB   ALA  53           QB       ALA  53  -4.319   2.490  -6.677
  468    H    LEU  54           H        LEU  54  -4.443   0.146  -4.578
  469    HA   LEU  54           HA       LEU  54  -1.771  -0.813  -4.683
  470   1HB   LEU  54          2HB       LEU  54  -1.749  -1.973  -2.548
  471   2HB   LEU  54          1HB       LEU  54  -1.918  -0.251  -2.325
  472    HG   LEU  54           HG       LEU  54  -4.410  -0.717  -1.918
  473   1HD1  LEU  54          2HD1      LEU  54  -4.454  -3.020  -2.796
  474   2HD1  LEU  54          1HD1      LEU  54  -3.383  -3.535  -1.495
  475   3HD1  LEU  54          3HD1      LEU  54  -5.002  -2.937  -1.128
  476   1HD2  LEU  54          3HD2      LEU  54  -2.328  -1.744  -0.014
  477   2HD2  LEU  54          2HD2      LEU  54  -2.870  -0.073  -0.167
  478   3HD2  LEU  54          1HD2      LEU  54  -3.970  -1.306   0.440
  479    MD1  LEU  54           QD1      LEU  54  -4.280  -3.164  -1.806
  480    MD2  LEU  54           QD2      LEU  54  -3.056  -1.041   0.086
  481    QB   LEU  54           QB       LEU  54  -1.833  -1.112  -2.437
  482    QD   LEU  54           QQD      LEU  54  -3.668  -2.102  -0.860
  483    H    PHE  55           H        PHE  55  -1.613  -2.997  -4.980
  484    HA   PHE  55           HA       PHE  55  -4.105  -4.346  -5.645
  485   1HB   PHE  55          2HB       PHE  55  -1.546  -4.383  -7.283
  486   2HB   PHE  55          1HB       PHE  55  -2.988  -5.334  -7.616
  487    HD1  PHE  55          1HD       PHE  55  -5.120  -4.136  -8.224
  488    HD2  PHE  55          2HD       PHE  55  -1.352  -2.170  -8.061
  489    HE1  PHE  55          1HE       PHE  55  -6.027  -2.293  -9.575
  490    HE2  PHE  55          2HE       PHE  55  -2.248  -0.321  -9.419
  491    HZ   PHE  55           HZ       PHE  55  -4.590  -0.380 -10.174
  492    QB   PHE  55           QB       PHE  55  -2.267  -4.859  -7.449
  493    QD   PHE  55           QD       PHE  55  -3.236  -3.153  -8.143
  494    QE   PHE  55           QE       PHE  55  -4.138  -1.307  -9.497
  495    QR   PHE  55           QR       PHE  55  -3.868  -1.860  -9.091
  496    H    TYR  56           H        TYR  56  -4.261  -6.003  -4.431
  497    HA   TYR  56           HA       TYR  56  -1.852  -7.294  -3.354
  498   1HB   TYR  56          2HB       TYR  56  -3.427  -6.334  -1.698
  499   2HB   TYR  56          1HB       TYR  56  -4.735  -7.300  -2.316
  500    HD1  TYR  56          1HD       TYR  56  -3.513 -10.019  -2.438
  501    HD2  TYR  56          2HD       TYR  56  -3.045  -6.942   0.446
  502    HE1  TYR  56          1HE       TYR  56  -2.978 -11.709  -0.739
  503    HE2  TYR  56          2HE       TYR  56  -2.505  -8.629   2.161
  504    HH   TYR  56           HH       TYR  56  -1.834 -11.880   1.370
  505    QB   TYR  56           QB       TYR  56  -4.081  -6.817  -2.007
  506    QD   TYR  56           QD       TYR  56  -3.279  -8.481  -0.996
  507    QE   TYR  56           QE       TYR  56  -2.742 -10.169   0.711
  508    QR   TYR  56           QR       TYR  56  -3.010  -9.325  -0.142
  509    H    SER  57           H        SER  57  -1.371  -9.012  -4.542
  510    HA   SER  57           HA       SER  57  -3.587 -10.483  -5.745
  511   1HB   SER  57          2HB       SER  57  -0.770 -10.160  -6.787
  512   2HB   SER  57          1HB       SER  57  -2.064 -11.060  -7.578
  513    HG   SER  57           HG       SER  57  -3.246  -8.998  -7.398
  514    QB   SER  57           QB       SER  57  -1.417 -10.610  -7.182
  515    H    GLN  58           H        GLN  58  -3.882 -11.872  -4.088
  516    HA   GLN  58           HA       GLN  58  -3.769 -13.735  -2.911
  517   1HB   GLN  58          2HB       GLN  58  -3.331 -14.675  -5.087
  518   2HB   GLN  58          1HB       GLN  58  -1.604 -14.503  -4.858
  519   1HG   GLN  58          2HG       GLN  58  -1.630 -16.098  -3.027
  520   2HG   GLN  58          1HG       GLN  58  -3.381 -16.239  -3.139
  521   1HE2  GLN  58          1HE2      GLN  58  -3.444 -16.318  -6.074
  522   2HE2  GLN  58          2HE2      GLN  58  -2.811 -17.835  -6.523
  523    QB   GLN  58           QB       GLN  58  -2.467 -14.589  -4.972
  524    QG   GLN  58           QG       GLN  58  -2.506 -16.169  -3.083
  525    QE   GLN  58           QE2      GLN  58  -3.127 -17.077  -6.299
  526    H    GLY  59           H        GLY  59  -0.364 -13.207  -3.593
  527   1HA   GLY  59          1HA       GLY  59   1.121 -14.005  -1.668
  528   2HA   GLY  59          2HA       GLY  59   0.044 -13.042  -0.678
  529    QA   GLY  59           QA       GLY  59   0.582 -13.524  -1.173
  530    H    VAL  60           H        VAL  60   0.765 -11.747  -3.815
  531    HA   VAL  60           HA       VAL  60   2.960 -10.256  -2.687
  532    HB   VAL  60           HB       VAL  60   3.513  -9.495  -4.912
  533   1HG1  VAL  60          2HG1      VAL  60   2.951 -12.443  -4.887
  534   2HG1  VAL  60          1HG1      VAL  60   4.031 -11.627  -6.017
  535   3HG1  VAL  60          3HG1      VAL  60   4.397 -11.625  -4.291
  536   1HG2  VAL  60          2HG2      VAL  60   1.256  -9.229  -5.860
  537   2HG2  VAL  60          1HG2      VAL  60   2.270 -10.207  -6.925
  538   3HG2  VAL  60          3HG2      VAL  60   1.070 -10.981  -5.892
  539    MG1  VAL  60           QG1      VAL  60   3.793 -11.898  -5.065
  540    MG2  VAL  60           QG2      VAL  60   1.532 -10.139  -6.226
  541    QG   VAL  60           QQG      VAL  60   2.662 -11.019  -5.645
  542    H    PHE  61           H        PHE  61   2.929  -8.239  -2.279
  543    HA   PHE  61           HA       PHE  61   0.332  -6.838  -2.260
  544   1HB   PHE  61          2HB       PHE  61   2.270  -7.522  -0.417
  545   2HB   PHE  61          1HB       PHE  61   2.578  -5.844  -0.768
  546    HD1  PHE  61          1HD       PHE  61   1.973  -7.121   1.772
  547    HD2  PHE  61          2HD       PHE  61  -0.592  -5.293  -1.085
  548    HE1  PHE  61          1HE       PHE  61   0.478  -6.576   3.552
  549    HE2  PHE  61          2HE       PHE  61  -2.160  -4.706   0.725
  550    HZ   PHE  61           HZ       PHE  61  -1.594  -5.321   3.064
  551    QB   PHE  61           QB       PHE  61   2.424  -6.683  -0.592
  552    QD   PHE  61           QD       PHE  61   0.691  -6.207   0.343
  553    QE   PHE  61           QE       PHE  61  -0.841  -5.641   2.138
  554    QR   PHE  61           QR       PHE  61  -0.379  -5.803   1.605
  555    H    PHE  62           H        PHE  62   0.474  -5.419  -4.179
  556    HA   PHE  62           HA       PHE  62   2.969  -3.873  -4.322
  557   1HB   PHE  62          2HB       PHE  62   2.399  -5.005  -6.446
  558   2HB   PHE  62          1HB       PHE  62   0.831  -4.190  -6.454
  559    HD1  PHE  62          1HD       PHE  62   4.492  -3.481  -6.423
  560    HD2  PHE  62          2HD       PHE  62   0.613  -2.168  -7.579
  561    HE1  PHE  62          1HE       PHE  62   5.499  -1.600  -7.646
  562    HE2  PHE  62          2HE       PHE  62   1.612  -0.288  -8.817
  563    HZ   PHE  62           HZ       PHE  62   4.059   0.000  -8.847
  564    QB   PHE  62           QB       PHE  62   1.615  -4.598  -6.450
  565    QD   PHE  62           QD       PHE  62   2.553  -2.824  -7.001
  566    QE   PHE  62           QE       PHE  62   3.555  -0.944  -8.231
  567    QR   PHE  62           QR       PHE  62   3.255  -1.507  -7.862
  568    H    GLN  63           H        GLN  63   2.884  -1.889  -3.581
  569    HA   GLN  63           HA       GLN  63   0.274  -0.556  -3.301
  570   1HB   GLN  63          2HB       GLN  63   1.092  -1.967  -1.298
  571   2HB   GLN  63          1HB       GLN  63   2.360  -0.783  -1.143
  572   1HG   GLN  63          2HG       GLN  63  -0.600  -0.275  -0.815
  573   2HG   GLN  63          1HG       GLN  63   0.581  -0.496   0.455
  574   1HE2  GLN  63          1HE2      GLN  63  -1.139   1.587   0.214
  575   2HE2  GLN  63          2HE2      GLN  63  -0.237   3.071  -0.028
  576    QB   GLN  63           QB       GLN  63   1.726  -1.375  -1.221
  577    QG   GLN  63           QG       GLN  63  -0.009  -0.385  -0.180
  578    QE   GLN  63           QE2      GLN  63  -0.688   2.329   0.093
  579    H    TRP  64           H        TRP  64   0.591   1.598  -3.994
  580    HA   TRP  64           HA       TRP  64   3.165   2.641  -3.377
  581   1HB   TRP  64          2HB       TRP  64   3.752   3.423  -5.488
  582   2HB   TRP  64          1HB       TRP  64   3.182   1.769  -5.799
  583    HD1  TRP  64           HD       TRP  64   3.277   5.045  -7.123
  584    HE1  TRP  64          1HE       TRP  64   1.478   5.484  -8.817
  585    HE3  TRP  64          3HE       TRP  64   0.217   1.131  -6.009
  586    HZ2  TRP  64          2HZ       TRP  64  -0.986   4.333  -9.620
  587    HZ3  TRP  64          3HZ       TRP  64  -1.881   0.903  -7.269
  588    HH2  TRP  64           HH       TRP  64  -2.451   2.458  -9.054
  589    QB   TRP  64           QB       TRP  64   3.467   2.596  -5.643
  590    H    LEU  65           H        LEU  65   3.189   5.046  -3.706
  591    HA   LEU  65           HA       LEU  65   0.595   6.286  -3.604
  592   1HB   LEU  65          2HB       LEU  65   1.541   7.451  -1.418
  593   2HB   LEU  65          1HB       LEU  65   0.511   6.054  -1.339
  594    HG   LEU  65           HG       LEU  65   2.830   4.790  -1.420
  595   1HD1  LEU  65          3HD1      LEU  65   4.215   6.704  -1.733
  596   2HD1  LEU  65          2HD1      LEU  65   3.615   7.406  -0.227
  597   3HD1  LEU  65          1HD1      LEU  65   4.567   5.924  -0.189
  598   1HD2  LEU  65          1HD2      LEU  65   1.709   6.082   1.049
  599   2HD2  LEU  65          3HD2      LEU  65   1.238   4.533   0.342
  600   3HD2  LEU  65          2HD2      LEU  65   2.853   4.729   1.011
  601    MD1  LEU  65           QD1      LEU  65   4.132   6.678  -0.716
  602    MD2  LEU  65           QD2      LEU  65   1.934   5.115   0.800
  603    QB   LEU  65           QB       LEU  65   1.026   6.753  -1.378
  604    QD   LEU  65           QQD      LEU  65   3.033   5.896   0.042
  605    H    GLU  66           H        GLU  66   0.521   8.330  -4.116
  606    HA   GLU  66           HA       GLU  66   2.922   9.623  -5.211
  607   1HB   GLU  66          2HB       GLU  66   0.025  10.457  -5.396
  608   2HB   GLU  66          1HB       GLU  66   1.381  10.979  -6.369
  609   1HG   GLU  66          2HG       GLU  66   1.402   8.899  -7.555
  610   2HG   GLU  66          1HG       GLU  66   0.146   8.237  -6.497
  611    QB   GLU  66           QB       GLU  66   0.703  10.718  -5.882
  612    QG   GLU  66           QG       GLU  66   0.774   8.568  -7.026
  613    H    GLY  67           H        GLY  67   3.750  11.261  -3.882
  614   1HA   GLY  67          1HA       GLY  67   2.707  12.012  -1.476
  615   2HA   GLY  67          2HA       GLY  67   1.900  13.023  -2.675
  616    QA   GLY  67           QA       GLY  67   2.304  12.518  -2.076
  617    H    HIS  68           H        HIS  68   3.193  14.578  -1.141
  618    HA   HIS  68           HA       HIS  68   5.538  15.505  -2.487
  619   1HB   HIS  68          2HB       HIS  68   4.196  17.158  -1.383
  620   2HB   HIS  68          1HB       HIS  68   4.208  16.318   0.135
  621    HD1  HIS  68          1HD       HIS  68   6.129  16.782   1.719
  622    HD2  HIS  68          2HD       HIS  68   6.259  18.498  -1.937
  623    HE1  HIS  68          1HE       HIS  68   8.193  18.141   1.856
  624    HE2  HIS  68          2HE       HIS  68   8.034  19.575  -0.265
  625    QB   HIS  68           QB       HIS  68   4.202  16.738  -0.624
  626    HA   PRO  69           HA       PRO  69   8.638  12.541  -1.235
  627   1HB   PRO  69          2HB       PRO  69  10.495  14.523  -0.307
  628   2HB   PRO  69          1HB       PRO  69  10.531  13.596  -1.808
  629   1HG   PRO  69          2HG       PRO  69   9.491  16.320  -1.302
  630   2HG   PRO  69          1HG       PRO  69  10.087  15.602  -2.810
  631   1HD   PRO  69          2HD       PRO  69   7.502  16.090  -2.470
  632   2HD   PRO  69          1HD       PRO  69   8.022  14.604  -3.282
  633    QB   PRO  69           QB       PRO  69  10.513  14.059  -1.058
  634    QG   PRO  69           QG       PRO  69   9.789  15.961  -2.056
  635    QD   PRO  69           QD       PRO  69   7.762  15.347  -2.876
  636    H    ALA  70           H        ALA  70   8.368  15.134   1.159
  637    HA   ALA  70           HA       ALA  70   9.391  13.314   3.110
  638   1HB   ALA  70          3HB       ALA  70   9.954  15.681   3.268
  639   2HB   ALA  70          1HB       ALA  70   9.161  15.050   4.725
  640   3HB   ALA  70          2HB       ALA  70   8.236  16.027   3.552
  641    MB   ALA  70           QB       ALA  70   9.117  15.586   3.848
  642    H    ALA  71           H        ALA  71   6.302  14.233   2.176
  643    HA   ALA  71           HA       ALA  71   4.930  13.324   4.454
  644   1HB   ALA  71          3HB       ALA  71   4.274  13.357   1.581
  645   2HB   ALA  71          2HB       ALA  71   3.073  13.050   2.834
  646   3HB   ALA  71          1HB       ALA  71   3.870  14.659   2.717
  647    MB   ALA  71           QB       ALA  71   3.739  13.689   2.377
  648    H    VAL  72           H        VAL  72   5.988  12.086   1.429
  649    HA   VAL  72           HA       VAL  72   5.035   9.437   1.476
  650    HB   VAL  72           HB       VAL  72   7.679  10.161   0.257
  651   1HG1  VAL  72          3HG1      VAL  72   6.866   7.914   0.132
  652   2HG1  VAL  72          2HG1      VAL  72   5.384   8.583  -0.598
  653   3HG1  VAL  72          1HG1      VAL  72   6.933   8.712  -1.474
  654   1HG2  VAL  72          2HG2      VAL  72   5.017  10.884  -0.870
  655   2HG2  VAL  72          1HG2      VAL  72   6.334  11.971  -0.290
  656   3HG2  VAL  72          3HG2      VAL  72   6.581  10.949  -1.720
  657    MG1  VAL  72           QG1      VAL  72   6.394   8.403  -0.647
  658    MG2  VAL  72           QG2      VAL  72   5.977  11.268  -0.960
  659    QG   VAL  72           QQG      VAL  72   6.186   9.836  -0.803
  660    H    ALA  73           H        ALA  73   8.046  10.932   2.526
  661    HA   ALA  73           HA       ALA  73   9.170   8.516   3.358
  662   1HB   ALA  73          3HB       ALA  73   9.878  11.287   4.167
  663   2HB   ALA  73          2HB       ALA  73  10.782   9.748   4.488
  664   3HB   ALA  73          1HB       ALA  73  10.562  10.319   2.818
  665    MB   ALA  73           QB       ALA  73  10.408  10.451   3.825
  666    H    GLU  74           H        GLU  74   7.396  11.008   5.086
  667    HA   GLU  74           HA       GLU  74   7.569   9.950   7.705
  668   1HB   GLU  74          2HB       GLU  74   6.511  12.153   7.130
  669   2HB   GLU  74          1HB       GLU  74   5.179  11.286   6.391
  670   1HG   GLU  74          2HG       GLU  74   4.606  10.319   8.567
  671   2HG   GLU  74          1HG       GLU  74   5.938  11.208   9.300
  672    QB   GLU  74           QB       GLU  74   5.845  11.719   6.760
  673    QG   GLU  74           QG       GLU  74   5.272  10.763   8.934
  674    H    VAL  75           H        VAL  75   5.496   9.235   5.027
  675    HA   VAL  75           HA       VAL  75   4.093   7.137   6.234
  676    HB   VAL  75           HB       VAL  75   4.564   7.992   3.381
  677   1HG1  VAL  75          1HG1      VAL  75   2.906   5.637   4.267
  678   2HG1  VAL  75          3HG1      VAL  75   2.987   6.342   2.644
  679   3HG1  VAL  75          2HG1      VAL  75   4.417   5.580   3.340
  680   1HG2  VAL  75          2HG2      VAL  75   2.136   7.878   5.147
  681   2HG2  VAL  75          1HG2      VAL  75   3.049   9.325   4.704
  682   3HG2  VAL  75          3HG2      VAL  75   2.159   8.423   3.473
  683    MG1  VAL  75           QG1      VAL  75   3.437   5.853   3.417
  684    MG2  VAL  75           QG2      VAL  75   2.448   8.542   4.441
  685    QG   VAL  75           QQG      VAL  75   2.942   7.198   3.929
  686    H    MET  76           H        MET  76   6.998   7.079   4.027
  687    HA   MET  76           HA       MET  76   7.540   4.441   4.123
  688   1HB   MET  76          2HB       MET  76   9.518   6.714   4.170
  689   2HB   MET  76          1HB       MET  76   9.931   5.061   3.817
  690   1HG   MET  76          2HG       MET  76   7.880   6.434   2.297
  691   2HG   MET  76          1HG       MET  76   9.570   6.728   1.832
  692   1HE   MET  76          2HE       MET  76   6.473   4.703   2.028
  693   2HE   MET  76          1HE       MET  76   6.743   3.205   1.087
  694   3HE   MET  76          3HE       MET  76   7.421   3.363   2.695
  695    QB   MET  76           QB       MET  76   9.724   5.888   3.993
  696    QG   MET  76           QG       MET  76   8.725   6.581   2.064
  697    ME   MET  76           QE       MET  76   6.879   3.757   1.936
  698    H    SER  77           H        SER  77   8.682   6.830   6.505
  699    HA   SER  77           HA       SER  77  10.033   5.017   8.095
  700   1HB   SER  77          2HB       SER  77   8.503   7.484   8.938
  701   2HB   SER  77          1HB       SER  77   9.695   6.650   9.941
  702    HG   SER  77           HG       SER  77  10.804   7.114   7.581
  703    QB   SER  77           QB       SER  77   9.099   7.067   9.440
  704    H    HIS  78           H        HIS  78   6.600   5.958   8.281
  705    HA   HIS  78           HA       HIS  78   5.857   4.265  10.430
  706   1HB   HIS  78          2HB       HIS  78   4.304   5.447   8.147
  707   2HB   HIS  78          1HB       HIS  78   3.534   4.279   9.192
  708    HD1  HIS  78          1HD       HIS  78   5.025   7.755   9.273
  709    HD2  HIS  78          2HD       HIS  78   2.682   5.256  11.613
  710    HE1  HIS  78          1HE       HIS  78   4.060   9.214  11.068
  711    HE2  HIS  78          2HE       HIS  78   2.868   7.621  12.606
  712    QB   HIS  78           QB       HIS  78   3.919   4.863   8.670
  713    H    ILE  79           H        ILE  79   6.163   3.652   7.062
  714    HA   ILE  79           HA       ILE  79   4.924   1.047   7.109
  715    HB   ILE  79           HB       ILE  79   5.987   2.917   5.091
  716   1HG1  ILE  79          2HG1      ILE  79   3.370   1.445   5.336
  717   2HG1  ILE  79          1HG1      ILE  79   3.678   3.141   5.698
  718   1HG2  ILE  79          1HG2      ILE  79   5.769   0.033   4.571
  719   2HG2  ILE  79          3HG2      ILE  79   5.501   1.215   3.293
  720   3HG2  ILE  79          2HG2      ILE  79   7.048   1.177   4.142
  721   1HD1  ILE  79          1HD1      ILE  79   4.192   3.492   3.313
  722   2HD1  ILE  79          3HD1      ILE  79   3.774   1.808   3.014
  723   3HD1  ILE  79          2HD1      ILE  79   2.543   2.931   3.591
  724    MG   ILE  79           QG2      ILE  79   6.106   0.808   4.002
  725    MD   ILE  79           QD1      ILE  79   3.503   2.744   3.306
  726    QG   ILE  79           QG1      ILE  79   3.524   2.293   5.517
  727    H    GLN  80           H        GLN  80   8.239   2.109   6.439
  728    HA   GLN  80           HA       GLN  80   9.328  -0.388   6.134
  729   1HB   GLN  80          2HB       GLN  80  10.550   2.233   6.943
  730   2HB   GLN  80          1HB       GLN  80  11.479   0.803   6.501
  731   1HG   GLN  80          2HG       GLN  80   9.518   2.248   4.643
  732   2HG   GLN  80          1HG       GLN  80  11.217   2.308   4.524
  733   1HE2  GLN  80          1HE2      GLN  80   8.564   0.372   4.112
  734   2HE2  GLN  80          2HE2      GLN  80   9.441  -0.815   3.202
  735    QB   GLN  80           QB       GLN  80  11.014   1.518   6.722
  736    QG   GLN  80           QG       GLN  80  10.368   2.278   4.584
  737    QE   GLN  80           QE2      GLN  80   9.002  -0.221   3.657
  738    H    ARG  81           H        ARG  81   8.274   1.028   9.068
  739    HA   ARG  81           HA       ARG  81   9.908  -0.707  10.713
  740   1HB   ARG  81          2HB       ARG  81   7.804   1.370  11.240
  741   2HB   ARG  81          1HB       ARG  81   8.158   0.179  12.481
  742   1HG   ARG  81          2HG       ARG  81   9.382   2.281  12.814
  743   2HG   ARG  81          1HG       ARG  81  10.447   0.890  12.579
  744   1HD   ARG  81          2HD       ARG  81  10.800   1.559  10.263
  745   2HD   ARG  81          1HD       ARG  81   9.696   2.908  10.486
  746    HE   ARG  81           HE       ARG  81  11.552   3.297  12.397
  747   1HH1  ARG  81          1HH1      ARG  81  11.783   2.783   8.919
  748   2HH1  ARG  81          2HH1      ARG  81  13.166   3.749   8.701
  749   1HH2  ARG  81          1HH2      ARG  81  13.401   4.648  12.129
  750   2HH2  ARG  81          2HH2      ARG  81  14.120   4.845  10.589
  751    QB   ARG  81           QB       ARG  81   7.981   0.774  11.861
  752    QG   ARG  81           QG       ARG  81   9.914   1.586  12.696
  753    QD   ARG  81           QD       ARG  81  10.248   2.233  10.375
  754    QH1  ARG  81           QH1      ARG  81  12.475   3.266   8.810
  755    QH2  ARG  81           QH2      ARG  81  13.761   4.747  11.359
  756    H    ASP  82           H        ASP  82   8.082  -1.597   8.633
  757    HA   ASP  82           HA       ASP  82   5.902  -2.852   9.054
  758   1HB   ASP  82          2HB       ASP  82   6.447  -3.284   7.129
  759   2HB   ASP  82          1HB       ASP  82   8.170  -3.520   7.326
  760    QB   ASP  82           QB       ASP  82   7.308  -3.402   7.227
  761    H    ARG  83           H        ARG  83   5.347  -5.016   9.063
  762    HA   ARG  83           HA       ARG  83   5.802  -6.839  10.954
  763   1HB   ARG  83          2HB       ARG  83   4.294  -6.012  12.847
  764   2HB   ARG  83          1HB       ARG  83   5.853  -5.219  12.717
  765   1HG   ARG  83          2HG       ARG  83   4.654  -3.450  11.359
  766   2HG   ARG  83          1HG       ARG  83   3.154  -4.130  11.975
  767   1HD   ARG  83          2HD       ARG  83   3.728  -2.383  13.500
  768   2HD   ARG  83          1HD       ARG  83   4.137  -3.888  14.308
  769    HE   ARG  83           HE       ARG  83   6.393  -2.972  12.918
  770   1HH1  ARG  83          1HH1      ARG  83   4.444  -1.859  15.646
  771   2HH1  ARG  83          2HH1      ARG  83   5.781  -1.225  16.494
  772   1HH2  ARG  83          1HH2      ARG  83   8.202  -2.029  14.067
  773   2HH2  ARG  83          2HH2      ARG  83   7.930  -1.310  15.575
  774    QB   ARG  83           QB       ARG  83   5.074  -5.616  12.782
  775    QG   ARG  83           QG       ARG  83   3.904  -3.790  11.667
  776    QD   ARG  83           QD       ARG  83   3.932  -3.136  13.904
  777    QH1  ARG  83           QH1      ARG  83   5.113  -1.542  16.070
  778    QH2  ARG  83           QH2      ARG  83   8.066  -1.669  14.821
  779    H    ARG  84           H        ARG  84   3.544  -4.800   9.114
  780    HA   ARG  84           HA       ARG  84   1.720  -7.078   9.000
  781   1HB   ARG  84          2HB       ARG  84   1.097  -4.148   8.911
  782   2HB   ARG  84          1HB       ARG  84   0.061  -5.319   8.101
  783   1HG   ARG  84          2HG       ARG  84  -0.919  -4.899  10.188
  784   2HG   ARG  84          1HG       ARG  84  -0.174  -6.490  10.318
  785   1HD   ARG  84          2HD       ARG  84   0.210  -5.298  12.336
  786   2HD   ARG  84          1HD       ARG  84   1.736  -5.382  11.461
  787    HE   ARG  84           HE       ARG  84   1.665  -3.071  11.144
  788   1HH1  ARG  84          1HH1      ARG  84  -1.427  -4.118  12.534
  789   2HH1  ARG  84          2HH1      ARG  84  -1.866  -2.557  13.035
  790   1HH2  ARG  84          1HH2      ARG  84   1.066  -0.973  11.856
  791   2HH2  ARG  84          2HH2      ARG  84  -0.403  -0.698  12.637
  792    QB   ARG  84           QB       ARG  84   0.579  -4.733   8.506
  793    QG   ARG  84           QG       ARG  84  -0.547  -5.695  10.253
  794    QD   ARG  84           QD       ARG  84   0.973  -5.340  11.899
  795    QH1  ARG  84           QH1      ARG  84  -1.646  -3.338  12.785
  796    QH2  ARG  84           QH2      ARG  84   0.332  -0.836  12.246
  797    H    HIS  85           H        HIS  85   4.092  -6.433   7.080
  798    HA   HIS  85           HA       HIS  85   2.821  -7.298   4.768
  799   1HB   HIS  85          2HB       HIS  85   3.528  -5.403   3.263
  800   2HB   HIS  85          1HB       HIS  85   2.048  -5.165   4.157
  801    HD1  HIS  85          1HD       HIS  85   2.944  -2.562   3.285
  802    HD2  HIS  85          2HD       HIS  85   4.834  -4.282   6.565
  803    HE1  HIS  85          1HE       HIS  85   4.073  -0.750   4.496
  804    HE2  HIS  85          2HE       HIS  85   5.097  -1.755   6.504
  805    QB   HIS  85           QB       HIS  85   2.788  -5.284   3.710
  806    H    SER  86           H        SER  86   4.145  -8.772   4.520
  807    HA   SER  86           HA       SER  86   6.086  -9.518   5.621
  808   1HB   SER  86          2HB       SER  86   5.361  -9.720   3.092
  809   2HB   SER  86          1HB       SER  86   7.065 -10.386   3.252
  810    HG   SER  86           HG       SER  86   5.161 -11.783   3.495
  811    QB   SER  86           QB       SER  86   6.213 -10.053   3.172
  812    H    ASN  87           H        ASN  87   7.229  -7.416   3.246
  813    HA   ASN  87           HA       ASN  87   9.563  -7.022   4.944
  814   1HB   ASN  87          2HB       ASN  87  10.119  -7.311   2.039
  815   2HB   ASN  87          1HB       ASN  87  11.296  -7.468   3.352
  816   1HD2  ASN  87          1HD2      ASN  87   9.535  -8.940   1.038
  817   2HD2  ASN  87          2HD2      ASN  87   9.554 -10.569   1.629
  818    QB   ASN  87           QB       ASN  87  10.708  -7.390   2.695
  819    QD   ASN  87           QD2      ASN  87   9.544  -9.754   1.333
  820    H    VAL  88           H        VAL  88   7.358  -5.659   3.235
  821    HA   VAL  88           HA       VAL  88   7.393  -4.108   1.532
  822    HB   VAL  88           HB       VAL  88   6.170  -3.343   3.298
  823   1HG1  VAL  88          3HG1      VAL  88   7.694  -3.424   5.103
  824   2HG1  VAL  88          2HG1      VAL  88   8.525  -1.942   4.472
  825   3HG1  VAL  88          1HG1      VAL  88   6.803  -1.894   4.918
  826   1HG2  VAL  88          2HG2      VAL  88   6.558  -1.771   1.406
  827   2HG2  VAL  88          1HG2      VAL  88   6.124  -0.982   2.925
  828   3HG2  VAL  88          3HG2      VAL  88   7.784  -0.984   2.405
  829    MG1  VAL  88           QG1      VAL  88   7.674  -2.420   4.831
  830    MG2  VAL  88           QG2      VAL  88   6.822  -1.245   2.245
  831    QG   VAL  88           QQG      VAL  88   7.248  -1.833   3.538
  832    H    GLU  89           H        GLU  89   8.791  -4.469   0.205
  833    HA   GLU  89           HA       GLU  89  11.258  -2.953   0.343
  834   1HB   GLU  89          2HB       GLU  89  10.285  -5.086  -1.531
  835   2HB   GLU  89          1HB       GLU  89  11.891  -4.363  -1.564
  836   1HG   GLU  89          2HG       GLU  89  12.596  -5.444   0.221
  837   2HG   GLU  89          1HG       GLU  89  10.996  -5.359   0.952
  838    QB   GLU  89           QB       GLU  89  11.088  -4.725  -1.547
  839    QG   GLU  89           QG       GLU  89  11.796  -5.402   0.586
  840    H    ILE  90           H        ILE  90  10.332  -1.051   0.055
  841    HA   ILE  90           HA       ILE  90   8.844   0.105  -1.981
  842    HB   ILE  90           HB       ILE  90  11.472   1.345  -1.266
  843   1HG1  ILE  90          2HG1      ILE  90  10.776   0.480   0.869
  844   2HG1  ILE  90          1HG1      ILE  90  10.527   2.216   0.848
  845   1HG2  ILE  90          2HG2      ILE  90   8.676   2.480  -1.428
  846   2HG2  ILE  90          1HG2      ILE  90  10.101   3.410  -1.109
  847   3HG2  ILE  90          3HG2      ILE  90   9.919   2.654  -2.696
  848   1HD1  ILE  90          2HD1      ILE  90   8.187   1.870   0.364
  849   2HD1  ILE  90          1HD1      ILE  90   8.437   0.127   0.442
  850   3HD1  ILE  90          3HD1      ILE  90   8.663   1.114   1.896
  851    MG   ILE  90           QG2      ILE  90   9.565   2.848  -1.744
  852    MD   ILE  90           QD1      ILE  90   8.429   1.037   0.901
  853    QG   ILE  90           QG1      ILE  90  10.652   1.348   0.859
  854    H    LEU  91           H        LEU  91  12.208   0.131  -2.219
  855    HA   LEU  91           HA       LEU  91  13.699  -0.409  -3.807
  856   1HB   LEU  91          2HB       LEU  91  11.470  -2.053  -4.990
  857   2HB   LEU  91          1HB       LEU  91  13.136  -2.107  -5.520
  858    HG   LEU  91           HG       LEU  91  12.143  -2.940  -2.768
  859   1HD1  LEU  91          2HD1      LEU  91  13.107  -4.555  -5.119
  860   2HD1  LEU  91          1HD1      LEU  91  12.699  -5.185  -3.525
  861   3HD1  LEU  91          3HD1      LEU  91  11.450  -4.461  -4.533
  862   1HD2  LEU  91          2HD2      LEU  91  14.883  -3.084  -4.031
  863   2HD2  LEU  91          1HD2      LEU  91  14.413  -2.051  -2.678
  864   3HD2  LEU  91          3HD2      LEU  91  14.423  -3.806  -2.490
  865    MD1  LEU  91           QD1      LEU  91  12.419  -4.734  -4.392
  866    MD2  LEU  91           QD2      LEU  91  14.573  -2.980  -3.066
  867    QB   LEU  91           QB       LEU  91  12.303  -2.080  -5.255
  868    QD   LEU  91           QQD      LEU  91  13.496  -3.857  -3.729
  869    H    ALA  92           H        ALA  92  10.698   0.942  -4.766
  870    HA   ALA  92           HA       ALA  92  12.049   2.254  -7.025
  871   1HB   ALA  92          1HB       ALA  92  10.466   0.671  -7.916
  872   2HB   ALA  92          2HB       ALA  92   9.814   2.315  -8.117
  873   3HB   ALA  92          3HB       ALA  92   9.220   1.275  -6.827
  874    MB   ALA  92           QB       ALA  92   9.833   1.421  -7.620
  875    H    GLU  93           H        GLU  93  12.316   4.269  -6.454
  876    HA   GLU  93           HA       GLU  93  10.034   5.732  -5.397
  877   1HB   GLU  93          2HB       GLU  93  12.878   6.139  -4.348
  878   2HB   GLU  93          1HB       GLU  93  11.425   7.043  -3.928
  879   1HG   GLU  93          2HG       GLU  93  10.430   5.239  -2.963
  880   2HG   GLU  93          1HG       GLU  93  11.797   4.176  -3.350
  881    QB   GLU  93           QB       GLU  93  12.151   6.591  -4.138
  882    QG   GLU  93           QG       GLU  93  11.114   4.708  -3.157
  883    H    GLU  94           H        GLU  94   9.560   7.041  -6.916
  884    HA   GLU  94           HA       GLU  94  11.722   8.377  -8.355
  885   1HB   GLU  94          2HB       GLU  94  10.242   8.192 -10.411
  886   2HB   GLU  94          1HB       GLU  94  11.010   6.703  -9.866
  887   1HG   GLU  94          2HG       GLU  94   8.802   6.226  -8.675
  888   2HG   GLU  94          1HG       GLU  94   8.132   7.535  -9.651
  889    QB   GLU  94           QB       GLU  94  10.626   7.448 -10.138
  890    QG   GLU  94           QG       GLU  94   8.467   6.880  -9.163
  891    H    SER  95           H        SER  95  11.377  10.453  -8.955
  892    HA   SER  95           HA       SER  95   9.479  11.896  -7.397
  893   1HB   SER  95          2HB       SER  95  11.421  12.815  -9.509
  894   2HB   SER  95          1HB       SER  95  10.544  13.845  -8.364
  895    HG   SER  95           HG       SER  95  12.046  13.495  -7.054
  896    QB   SER  95           QB       SER  95  10.982  13.330  -8.936
  897    H    ILE  96           H        ILE  96   7.620  12.624  -8.039
  898    HA   ILE  96           HA       ILE  96   6.861  12.089 -10.845
  899    HB   ILE  96           HB       ILE  96   4.669  11.612 -10.141
  900   1HG1  ILE  96          2HG1      ILE  96   5.751  11.152  -7.379
  901   2HG1  ILE  96          1HG1      ILE  96   5.053  12.697  -7.822
  902   1HG2  ILE  96          3HG2      ILE  96   6.240   9.845 -10.723
  903   2HG2  ILE  96          2HG2      ILE  96   6.850   9.799  -9.073
  904   3HG2  ILE  96          1HG2      ILE  96   5.198   9.269  -9.418
  905   1HD1  ILE  96          2HD1      ILE  96   3.512  10.166  -8.179
  906   2HD1  ILE  96          1HD1      ILE  96   3.602  11.081  -6.633
  907   3HD1  ILE  96          3HD1      ILE  96   3.031  11.872  -8.069
  908    MG   ILE  96           QG2      ILE  96   6.096   9.638  -9.738
  909    MD   ILE  96           QD1      ILE  96   3.382  11.040  -7.627
  910    QG   ILE  96           QG1      ILE  96   5.402  11.925  -7.600
  911    H    ALA  97           H        ALA  97   4.846  13.038 -11.539
  912    HA   ALA  97           HA       ALA  97   4.705  15.809 -10.669
  913   1HB   ALA  97          2HB       ALA  97   4.979  15.522 -13.056
  914   2HB   ALA  97          3HB       ALA  97   3.327  16.112 -12.672
  915   3HB   ALA  97          1HB       ALA  97   3.578  14.422 -13.045
  916    MB   ALA  97           QB       ALA  97   3.962  15.352 -12.924
  917    H    LYS  98           H        LYS  98   3.489  13.153 -10.072
  918    HA   LYS  98           HA       LYS  98   1.630  12.162  -9.241
  919   1HB   LYS  98          2HB       LYS  98   2.540  13.876  -7.747
  920   2HB   LYS  98          1HB       LYS  98   1.226  14.895  -8.251
  921   1HG   LYS  98          2HG       LYS  98   0.348  12.306  -7.413
  922   2HG   LYS  98          1HG       LYS  98   1.439  13.086  -6.297
  923   1HD   LYS  98          2HD       LYS  98  -0.514  14.875  -7.265
  924   2HD   LYS  98          1HD       LYS  98  -1.206  13.531  -6.283
  925   1HE   LYS  98          2HE       LYS  98   0.502  13.908  -4.764
  926   2HE   LYS  98          1HE       LYS  98   1.044  15.324  -5.693
  927   1HZ   LYS  98          1HZ       LYS  98  -1.198  16.308  -5.353
  928   2HZ   LYS  98          3HZ       LYS  98  -1.612  15.055  -4.299
  929   3HZ   LYS  98          2HZ       LYS  98  -0.397  16.153  -3.893
  930    QB   LYS  98           QB       LYS  98   1.883  14.385  -7.999
  931    QD   LYS  98           QD       LYS  98  -0.860  14.203  -6.774
  932    QG   LYS  98           QG       LYS  98   0.894  12.696  -6.855
  933    QE   LYS  98           QE       LYS  98   0.773  14.616  -5.229
  934    QZ   LYS  98           QZ       LYS  98  -1.069  15.839  -4.515
  935    H    ARG  99           H        ARG  99  -0.818  12.913  -8.740
  936    HA   ARG  99           HA       ARG  99  -2.854  13.614  -9.396
  937   1HB   ARG  99          2HB       ARG  99  -1.515  15.528 -10.600
  938   2HB   ARG  99          1HB       ARG  99  -1.760  14.599 -12.039
  939   1HG   ARG  99          2HG       ARG  99  -3.455  16.311 -11.919
  940   2HG   ARG  99          1HG       ARG  99  -4.227  14.739 -11.679
  941   1HD   ARG  99          2HD       ARG  99  -4.258  15.070  -9.286
  942   2HD   ARG  99          1HD       ARG  99  -3.354  16.572  -9.453
  943    HE   ARG  99           HE       ARG  99  -6.008  16.257 -10.641
  944   1HH1  ARG  99          1HH1      ARG  99  -3.836  17.898  -8.361
  945   2HH1  ARG  99          2HH1      ARG  99  -4.917  19.142  -7.977
  946   1HH2  ARG  99          1HH2      ARG  99  -7.526  17.992 -10.106
  947   2HH2  ARG  99          2HH2      ARG  99  -7.071  19.201  -8.997
  948    QB   ARG  99           QB       ARG  99  -1.637  15.064 -11.320
  949    QG   ARG  99           QG       ARG  99  -3.841  15.525 -11.799
  950    QD   ARG  99           QD       ARG  99  -3.806  15.821  -9.369
  951    QH1  ARG  99           QH1      ARG  99  -4.377  18.520  -8.169
  952    QH2  ARG  99           QH2      ARG  99  -7.299  18.596  -9.552
  953    H    ARG 100           H        ARG 100  -1.549  11.080  -9.873
  954    HA   ARG 100           HA       ARG 100  -2.640  10.189 -12.385
  955   1HB   ARG 100          2HB       ARG 100  -1.232   8.641 -10.227
  956   2HB   ARG 100          1HB       ARG 100  -1.565   8.088 -11.870
  957   1HG   ARG 100          2HG       ARG 100  -0.146   9.808 -12.776
  958   2HG   ARG 100          1HG       ARG 100   0.104  10.460 -11.152
  959   1HD   ARG 100          2HD       ARG 100   1.194   8.363 -10.493
  960   2HD   ARG 100          1HD       ARG 100   0.939   7.721 -12.117
  961    HE   ARG 100           HE       ARG 100   2.334  10.215 -12.022
  962   1HH1  ARG 100          1HH1      ARG 100   2.721   6.685 -12.093
  963   2HH1  ARG 100          2HH1      ARG 100   4.339   6.731 -12.540
  964   1HH2  ARG 100          1HH2      ARG 100   4.573  10.272 -12.705
  965   2HH2  ARG 100          2HH2      ARG 100   5.419   8.818 -12.920
  966    QB   ARG 100           QB       ARG 100  -1.399   8.365 -11.048
  967    QG   ARG 100           QG       ARG 100  -0.021  10.134 -11.964
  968    QD   ARG 100           QD       ARG 100   1.066   8.042 -11.305
  969    QH1  ARG 100           QH1      ARG 100   3.530   6.708 -12.317
  970    QH2  ARG 100           QH2      ARG 100   4.996   9.545 -12.812
  971    H    PHE 101           H        PHE 101  -3.105   9.302  -8.940
  972    HA   PHE 101           HA       PHE 101  -5.620   8.120  -9.853
  973   1HB   PHE 101          2HB       PHE 101  -3.819   7.285  -7.633
  974   2HB   PHE 101          1HB       PHE 101  -5.536   6.911  -7.524
  975    HD1  PHE 101          1HD       PHE 101  -6.254   4.915  -8.374
  976    HD2  PHE 101          2HD       PHE 101  -2.731   6.674  -9.978
  977    HE1  PHE 101          1HE       PHE 101  -5.958   2.961  -9.832
  978    HE2  PHE 101          2HE       PHE 101  -2.419   4.715 -11.429
  979    HZ   PHE 101           HZ       PHE 101  -4.033   2.859 -11.358
  980    QB   PHE 101           QB       PHE 101  -4.678   7.098  -7.578
  981    QD   PHE 101           QD       PHE 101  -4.492   5.795  -9.176
  982    QE   PHE 101           QE       PHE 101  -4.189   3.838 -10.630
  983    QR   PHE 101           QR       PHE 101  -4.279   4.425 -10.194
  984    H    ALA 102           H        ALA 102  -4.546  10.578  -8.246
  985    HA   ALA 102           HA       ALA 102  -5.447  12.356  -7.102
  986   1HB   ALA 102          3HB       ALA 102  -6.890  12.430  -9.077
  987   2HB   ALA 102          1HB       ALA 102  -7.698  13.069  -7.648
  988   3HB   ALA 102          2HB       ALA 102  -8.089  11.451  -8.245
  989    MB   ALA 102           QB       ALA 102  -7.559  12.317  -8.323
  990    H    GLY 103           H        GLY 103  -6.541   9.358  -6.144
  991   1HA   GLY 103          1HA       GLY 103  -8.071   9.439  -3.983
  992   2HA   GLY 103          2HA       GLY 103  -6.642  10.298  -3.388
  993    QA   GLY 103           QA       GLY 103  -7.356   9.868  -3.685
  994    H    TRP 104           H        TRP 104  -6.491   8.260  -1.881
  995    HA   TRP 104           HA       TRP 104  -4.959   6.245  -3.296
  996   1HB   TRP 104          2HB       TRP 104  -3.871   7.054  -1.289
  997   2HB   TRP 104          1HB       TRP 104  -5.333   6.856  -0.360
  998    HD1  TRP 104           HD       TRP 104  -2.248   4.927  -1.462
  999    HE1  TRP 104          1HE       TRP 104  -2.291   2.661  -0.339
 1000    HE3  TRP 104          3HE       TRP 104  -6.975   5.051   0.491
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.134   1.126   1.246
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.764   3.355   1.696
 1003    HH2  TRP 104           HH       TRP 104  -6.489   1.387   2.128
 1004    QB   TRP 104           QB       TRP 104  -4.602   6.955  -0.824
 1005    H    HIS 105           H        HIS 105  -5.546   4.096  -3.514
 1006    HA   HIS 105           HA       HIS 105  -8.374   3.588  -2.880
 1007   1HB   HIS 105          2HB       HIS 105  -6.779   3.179  -5.356
 1008   2HB   HIS 105          1HB       HIS 105  -8.336   2.349  -5.119
 1009    HD1  HIS 105          1HD       HIS 105  -6.749   5.636  -5.955
 1010    HD2  HIS 105          2HD       HIS 105 -10.563   4.115  -5.313
 1011    HE1  HIS 105          1HE       HIS 105  -8.331   7.377  -6.837
 1012    HE2  HIS 105          2HE       HIS 105 -10.590   6.557  -6.087
 1013    QB   HIS 105           QB       HIS 105  -7.557   2.764  -5.237
 1014    H    MET 106           H        MET 106  -8.618   1.756  -1.731
 1015    HA   MET 106           HA       MET 106  -6.532  -0.312  -1.907
 1016   1HB   MET 106          2HB       MET 106  -7.575   0.768   0.298
 1017   2HB   MET 106          1HB       MET 106  -8.840  -0.406  -0.001
 1018   1HG   MET 106          2HG       MET 106  -5.923  -1.020   0.418
 1019   2HG   MET 106          1HG       MET 106  -7.183  -1.197   1.623
 1020   1HE   MET 106          2HE       MET 106  -6.451  -3.649   2.170
 1021   2HE   MET 106          1HE       MET 106  -6.222  -4.906   0.947
 1022   3HE   MET 106          3HE       MET 106  -5.124  -3.533   1.017
 1023    QB   MET 106           QB       MET 106  -8.208   0.181   0.148
 1024    QG   MET 106           QG       MET 106  -6.553  -1.108   1.021
 1025    ME   MET 106           QE       MET 106  -5.932  -4.029   1.378
 1026    H    GLN 107           H        GLN 107  -7.146  -2.329  -2.730
 1027    HA   GLN 107           HA       GLN 107  -9.410  -2.310  -4.427
 1028   1HB   GLN 107          2HB       GLN 107  -8.781  -4.556  -5.069
 1029   2HB   GLN 107          1HB       GLN 107  -7.353  -3.537  -4.991
 1030   1HG   GLN 107          2HG       GLN 107  -6.800  -4.502  -2.805
 1031   2HG   GLN 107          1HG       GLN 107  -8.220  -5.537  -2.911
 1032   1HE2  GLN 107          1HE2      GLN 107  -7.095  -7.439  -2.896
 1033   2HE2  GLN 107          2HE2      GLN 107  -6.069  -7.935  -4.190
 1034    QB   GLN 107           QB       GLN 107  -8.067  -4.047  -5.030
 1035    QG   GLN 107           QG       GLN 107  -7.510  -5.019  -2.858
 1036    QE   GLN 107           QE2      GLN 107  -6.582  -7.687  -3.543
 1037    H    LEU 108           H        LEU 108  -8.898  -3.458  -1.194
 1038    HA   LEU 108           HA       LEU 108 -11.292  -5.125  -1.230
 1039   1HB   LEU 108          2HB       LEU 108  -9.138  -5.935  -0.234
 1040   2HB   LEU 108          1HB       LEU 108  -9.257  -4.677   0.968
 1041    HG   LEU 108           HG       LEU 108 -11.357  -5.749   1.799
 1042   1HD1  LEU 108          2HD1      LEU 108 -10.610  -7.947  -0.121
 1043   2HD1  LEU 108          1HD1      LEU 108 -11.855  -8.046   1.120
 1044   3HD1  LEU 108          3HD1      LEU 108 -12.037  -6.911  -0.216
 1045   1HD2  LEU 108          1HD2      LEU 108  -8.889  -7.490   1.772
 1046   2HD2  LEU 108          3HD2      LEU 108  -9.235  -6.182   2.907
 1047   3HD2  LEU 108          2HD2      LEU 108 -10.234  -7.635   2.901
 1048    MD1  LEU 108           QD1      LEU 108 -11.500  -7.634   0.261
 1049    MD2  LEU 108           QD2      LEU 108  -9.453  -7.102   2.527
 1050    QB   LEU 108           QB       LEU 108  -9.197  -5.306   0.367
 1051    QD   LEU 108           QQD      LEU 108 -10.476  -7.368   1.394
 1052    H    SER 109           H        SER 109 -11.194  -2.061  -1.263
 1053    HA   SER 109           HA       SER 109 -12.263  -1.147   1.199
 1054   1HB   SER 109          2HB       SER 109 -12.986   0.798  -0.297
 1055   2HB   SER 109          1HB       SER 109 -11.253   0.435  -0.292
 1056    HG   SER 109           HG       SER 109 -11.404   0.103  -2.340
 1057    QB   SER 109           QB       SER 109 -12.120   0.616  -0.295
 1058    H    CYS 110           H        CYS 110 -13.550  -2.342  -1.783
 1059    HA   CYS 110           HA       CYS 110 -16.315  -2.139  -0.895
 1060   1HB   CYS 110          2HB       CYS 110 -15.128  -2.903  -3.568
 1061   2HB   CYS 110          1HB       CYS 110 -16.830  -2.601  -3.242
 1062    HG   CYS 110           HG       CYS 110 -14.614  -0.120  -2.596
 1063    QB   CYS 110           QB       CYS 110 -15.979  -2.752  -3.405
 1064    H    SER 111           H        SER 111 -17.449  -4.226  -2.163
 1065    HA   SER 111           HA       SER 111 -16.052  -6.696  -1.486
 1066   1HB   SER 111          2HB       SER 111 -17.472  -5.930   0.472
 1067   2HB   SER 111          1HB       SER 111 -18.879  -6.067  -0.565
 1068    HG   SER 111           HG       SER 111 -18.856  -7.978   0.360
 1069    QB   SER 111           QB       SER 111 -18.176  -5.998  -0.046
 1070    H    GLU 112           H        GLU 112 -19.005  -5.177  -2.625
 1071    HA   GLU 112           HA       GLU 112 -20.370  -5.406  -4.301
 1072   1HB   GLU 112          2HB       GLU 112 -17.904  -5.987  -5.922
 1073   2HB   GLU 112          1HB       GLU 112 -19.397  -5.232  -6.478
 1074   1HG   GLU 112          2HG       GLU 112 -19.026  -3.383  -4.906
 1075   2HG   GLU 112          1HG       GLU 112 -17.497  -4.119  -4.444
 1076    QB   GLU 112           QB       GLU 112 -18.650  -5.609  -6.200
 1077    QG   GLU 112           QG       GLU 112 -18.261  -3.751  -4.675
 1078    H    ALA 113           H        ALA 113 -21.370  -7.202  -3.394
 1079    HA   ALA 113           HA       ALA 113 -20.797  -9.823  -4.330
 1080   1HB   ALA 113          3HB       ALA 113 -23.348  -8.811  -3.046
 1081   2HB   ALA 113          2HB       ALA 113 -22.856 -10.495  -3.219
 1082   3HB   ALA 113          1HB       ALA 113 -21.936  -9.416  -2.176
 1083    MB   ALA 113           QB       ALA 113 -22.713  -9.574  -2.813
 1084    H    ASP 114           H        ASP 114 -22.340  -7.181  -5.601
 1085    HA   ASP 114           HA       ASP 114 -24.141  -8.302  -7.472
 1086   1HB   ASP 114          2HB       ASP 114 -22.440  -5.823  -7.635
 1087   2HB   ASP 114          1HB       ASP 114 -23.713  -6.215  -8.780
 1088    QB   ASP 114           QB       ASP 114 -23.077  -6.019  -8.208
 1089    H    MET 115           H        MET 115 -20.707  -7.639  -7.456
 1090    HA   MET 115           HA       MET 115 -20.451  -8.428 -10.245
 1091   1HB   MET 115          2HB       MET 115 -18.371  -7.373  -8.344
 1092   2HB   MET 115          1HB       MET 115 -18.113  -7.705 -10.046
 1093   1HG   MET 115          2HG       MET 115 -19.794  -6.017 -10.612
 1094   2HG   MET 115          1HG       MET 115 -19.993  -5.667  -8.895
 1095   1HE   MET 115          1HE       MET 115 -19.515  -3.180  -9.139
 1096   2HE   MET 115          3HE       MET 115 -18.153  -2.491 -10.025
 1097   3HE   MET 115          2HE       MET 115 -19.405  -3.382 -10.888
 1098    QB   MET 115           QB       MET 115 -18.242  -7.539  -9.195
 1099    QG   MET 115           QG       MET 115 -19.893  -5.842  -9.753
 1100    ME   MET 115           QE       MET 115 -19.024  -3.018 -10.017
 1101    H    ARG 116           H        ARG 116 -18.793  -9.254  -7.183
 1102    HA   ARG 116           HA       ARG 116 -17.772 -11.152  -6.383
 1103   1HB   ARG 116          2HB       ARG 116 -19.222 -12.584  -8.589
 1104   2HB   ARG 116          1HB       ARG 116 -18.525 -13.339  -7.149
 1105   1HG   ARG 116          2HG       ARG 116 -20.891 -11.446  -7.226
 1106   2HG   ARG 116          1HG       ARG 116 -20.993 -13.197  -7.090
 1107   1HD   ARG 116          2HD       ARG 116 -19.564 -11.454  -5.094
 1108   2HD   ARG 116          1HD       ARG 116 -21.261 -11.880  -4.956
 1109    HE   ARG 116           HE       ARG 116 -19.938 -14.255  -5.254
 1110   1HH1  ARG 116          1HH1      ARG 116 -19.929 -11.610  -2.853
 1111   2HH1  ARG 116          2HH1      ARG 116 -19.434 -12.594  -1.573
 1112   1HH2  ARG 116          1HH2      ARG 116 -19.369 -15.577  -3.455
 1113   2HH2  ARG 116          2HH2      ARG 116 -19.038 -14.945  -1.915
 1114    QB   ARG 116           QB       ARG 116 -18.873 -12.962  -7.869
 1115    QG   ARG 116           QG       ARG 116 -20.942 -12.321  -7.158
 1116    QD   ARG 116           QD       ARG 116 -20.412 -11.667  -5.025
 1117    QH1  ARG 116           QH1      ARG 116 -19.681 -12.102  -2.213
 1118    QH2  ARG 116           QH2      ARG 116 -19.204 -15.261  -2.685
 1119    H    SER 117           H        SER 117 -17.440 -10.296  -9.635
 1120    HA   SER 117           HA       SER 117 -15.282 -12.056 -10.332
 1121   1HB   SER 117          2HB       SER 117 -17.058 -11.376 -11.908
 1122   2HB   SER 117          1HB       SER 117 -16.559  -9.701 -11.752
 1123    HG   SER 117           HG       SER 117 -14.468 -11.251 -12.439
 1124    QB   SER 117           QB       SER 117 -16.809 -10.538 -11.830
 1125    H    LEU 118           H        LEU 118 -15.108  -9.832  -8.173
 1126    HA   LEU 118           HA       LEU 118 -12.993  -8.098  -9.142
 1127   1HB   LEU 118          2HB       LEU 118 -13.844  -8.697  -6.313
 1128   2HB   LEU 118          1HB       LEU 118 -12.802  -7.387  -6.820
 1129    HG   LEU 118           HG       LEU 118 -15.727  -7.682  -7.467
 1130   1HD1  LEU 118          2HD1      LEU 118 -14.226  -5.892  -5.576
 1131   2HD1  LEU 118          1HD1      LEU 118 -15.920  -5.685  -6.021
 1132   3HD1  LEU 118          3HD1      LEU 118 -15.404  -7.136  -5.170
 1133   1HD2  LEU 118          3HD2      LEU 118 -13.795  -5.451  -8.122
 1134   2HD2  LEU 118          2HD2      LEU 118 -14.520  -6.569  -9.280
 1135   3HD2  LEU 118          1HD2      LEU 118 -15.538  -5.431  -8.400
 1136    MD1  LEU 118           QD1      LEU 118 -15.184  -6.237  -5.589
 1137    MD2  LEU 118           QD2      LEU 118 -14.618  -5.817  -8.601
 1138    QB   LEU 118           QB       LEU 118 -13.323  -8.042  -6.566
 1139    QD   LEU 118           QQD      LEU 118 -14.901  -6.027  -7.095
 1140    H    GLY 119           H        GLY 119 -13.263 -10.707  -6.818
 1141   1HA   GLY 119          1HA       GLY 119 -10.565 -11.108  -6.317
 1142   2HA   GLY 119          2HA       GLY 119 -11.044 -12.158  -7.654
 1143    QA   GLY 119           QA       GLY 119 -10.805 -11.633  -6.986
 1144    H    LEU 120           H        LEU 120 -13.692 -12.602  -6.912
 1145    HA   LEU 120           HA       LEU 120 -13.370 -13.917  -4.329
 1146   1HB   LEU 120          2HB       LEU 120 -15.761 -12.650  -5.592
 1147   2HB   LEU 120          1HB       LEU 120 -15.968 -13.856  -4.357
 1148    HG   LEU 120           HG       LEU 120 -14.576 -12.277  -2.846
 1149   1HD1  LEU 120          3HD1      LEU 120 -13.561 -10.909  -4.564
 1150   2HD1  LEU 120          2HD1      LEU 120 -15.149 -10.313  -5.050
 1151   3HD1  LEU 120          1HD1      LEU 120 -14.508  -9.920  -3.452
 1152   1HD2  LEU 120          1HD2      LEU 120 -16.980 -12.486  -2.609
 1153   2HD2  LEU 120          3HD2      LEU 120 -16.464 -10.822  -2.345
 1154   3HD2  LEU 120          2HD2      LEU 120 -17.221 -11.280  -3.870
 1155    MD1  LEU 120           QD1      LEU 120 -14.406 -10.381  -4.355
 1156    MD2  LEU 120           QD2      LEU 120 -16.889 -11.529  -2.941
 1157    QB   LEU 120           QB       LEU 120 -15.864 -13.253  -4.975
 1158    QD   LEU 120           QQD      LEU 120 -15.647 -10.955  -3.648
 1159    H    ALA 121           H        ALA 121 -15.576 -14.145  -7.078
 1160    HA   ALA 121           HA       ALA 121 -16.697 -15.810  -7.881
 1161   1HB   ALA 121          3HB       ALA 121 -14.640 -15.880  -9.156
 1162   2HB   ALA 121          1HB       ALA 121 -15.385 -17.481  -9.075
 1163   3HB   ALA 121          2HB       ALA 121 -13.987 -17.100  -8.057
 1164    MB   ALA 121           QB       ALA 121 -14.671 -16.820  -8.763
 1165    H    GLU 122           H        GLU 122 -17.952 -16.354  -6.220
 1166    HA   GLU 122           HA       GLU 122 -17.420 -18.814  -4.806
 1167   1HB   GLU 122          2HB       GLU 122 -16.166 -17.191  -3.536
 1168   2HB   GLU 122          1HB       GLU 122 -17.543 -16.106  -3.498
 1169   1HG   GLU 122          2HG       GLU 122 -18.739 -17.888  -2.189
 1170   2HG   GLU 122          1HG       GLU 122 -17.170 -18.697  -2.059
 1171    QB   GLU 122           QB       GLU 122 -16.855 -16.648  -3.517
 1172    QG   GLU 122           QG       GLU 122 -17.955 -18.293  -2.124
 1173    H    SER 123           H        SER 123 -19.348 -19.780  -4.810
 1174    HA   SER 123           HA       SER 123 -21.734 -18.431  -3.994
 1175   1HB   SER 123          2HB       SER 123 -23.004 -19.182  -6.057
 1176   2HB   SER 123          1HB       SER 123 -21.831 -17.903  -6.373
 1177    HG   SER 123           HG       SER 123 -20.463 -20.040  -6.727
 1178    QB   SER 123           QB       SER 123 -22.418 -18.543  -6.215
 1179    H    ARG 124           H        ARG 124 -22.731 -19.936  -2.604
 1180    HA   ARG 124           HA       ARG 124 -22.720 -22.631  -3.379
 1181   1HB   ARG 124          2HB       ARG 124 -21.614 -23.605  -1.453
 1182   2HB   ARG 124          1HB       ARG 124 -20.516 -22.562  -2.315
 1183   1HG   ARG 124          2HG       ARG 124 -21.905 -21.874   0.285
 1184   2HG   ARG 124          1HG       ARG 124 -20.248 -22.447   0.131
 1185   1HD   ARG 124          2HD       ARG 124 -19.830 -20.423  -1.324
 1186   2HD   ARG 124          1HD       ARG 124 -21.416 -19.853  -0.812
 1187    HE   ARG 124           HE       ARG 124 -19.724 -20.570   1.365
 1188   1HH1  ARG 124          1HH1      ARG 124 -20.844 -17.916  -0.658
 1189   2HH1  ARG 124          2HH1      ARG 124 -19.931 -16.729   0.136
 1190   1HH2  ARG 124          1HH2      ARG 124 -18.470 -18.920   2.509
 1191   2HH2  ARG 124          2HH2      ARG 124 -18.557 -17.311   1.989
 1192    QB   ARG 124           QB       ARG 124 -21.065 -23.083  -1.884
 1193    QG   ARG 124           QG       ARG 124 -21.077 -22.160   0.208
 1194    QD   ARG 124           QD       ARG 124 -20.623 -20.138  -1.068
 1195    QH1  ARG 124           QH1      ARG 124 -20.387 -17.323  -0.261
 1196    QH2  ARG 124           QH2      ARG 124 -18.513 -18.115   2.249
 1197    H    GLN 125           H        GLN 125 -24.258 -23.662  -2.633
 1198    HA   GLN 125           HA       GLN 125 -26.279 -22.289  -1.087
 1199   1HB   GLN 125          2HB       GLN 125 -27.638 -24.432  -1.441
 1200   2HB   GLN 125          1HB       GLN 125 -27.254 -23.477  -2.854
 1201   1HG   GLN 125          2HG       GLN 125 -27.015 -25.790  -3.415
 1202   2HG   GLN 125          1HG       GLN 125 -25.421 -25.060  -3.388
 1203   1HE2  GLN 125          1HE2      GLN 125 -27.277 -26.196  -0.569
 1204   2HE2  GLN 125          2HE2      GLN 125 -26.144 -27.442  -0.178
 1205    QB   GLN 125           QB       GLN 125 -27.446 -23.954  -2.148
 1206    QG   GLN 125           QG       GLN 125 -26.218 -25.425  -3.402
 1207    QE   GLN 125           QE2      GLN 125 -26.710 -26.819  -0.374

  No H/Q in entry =        1207
  Start of MODEL   11
    1    H1   LEU   5          2HT       LEU   5  -3.274  32.270 -21.666
    2    H2   LEU   5          1HT       LEU   5  -4.126  31.163 -20.734
    3    H3   LEU   5          3HT       LEU   5  -4.456  32.835 -20.621
    4    HA   LEU   5           HA       LEU   5  -2.286  33.230 -19.824
    5   1HB   LEU   5          2HB       LEU   5  -3.923  31.217 -18.339
    6   2HB   LEU   5          1HB       LEU   5  -2.322  31.567 -17.736
    7    HG   LEU   5           HG       LEU   5  -2.921  33.923 -17.455
    8   1HD1  LEU   5          3HD1      LEU   5  -4.468  34.128 -19.251
    9   2HD1  LEU   5          2HD1      LEU   5  -5.649  33.109 -18.414
   10   3HD1  LEU   5          1HD1      LEU   5  -5.209  34.689 -17.748
   11   1HD2  LEU   5          1HD2      LEU   5  -4.888  32.020 -16.197
   12   2HD2  LEU   5          3HD2      LEU   5  -3.274  32.407 -15.600
   13   3HD2  LEU   5          2HD2      LEU   5  -4.518  33.651 -15.630
   14    MD1  LEU   5           QD1      LEU   5  -5.108  33.976 -18.471
   15    MD2  LEU   5           QD2      LEU   5  -4.227  32.693 -15.809
   16    QB   LEU   5           QB       LEU   5  -3.123  31.392 -18.037
   17    QD   LEU   5           QQD      LEU   5  -4.667  33.334 -17.140
   18    H    GLU   6           H        GLU   6  -0.325  32.245 -18.904
   19    HA   GLU   6           HA       GLU   6   0.960  30.686 -20.857
   20   1HB   GLU   6          2HB       GLU   6   1.998  32.476 -19.430
   21   2HB   GLU   6          1HB       GLU   6   1.785  31.332 -18.104
   22   1HG   GLU   6          2HG       GLU   6   4.036  31.552 -19.067
   23   2HG   GLU   6          1HG       GLU   6   3.416  29.892 -18.975
   24    QB   GLU   6           QB       GLU   6   1.891  31.904 -18.767
   25    QG   GLU   6           QG       GLU   6   3.726  30.722 -19.021
   26    H    ALA   7           H        ALA   7   1.950  28.701 -20.603
   27    HA   ALA   7           HA       ALA   7   0.398  26.649 -19.424
   28   1HB   ALA   7          2HB       ALA   7   1.866  26.228 -21.354
   29   2HB   ALA   7          1HB       ALA   7   3.277  26.576 -20.359
   30   3HB   ALA   7          3HB       ALA   7   2.282  25.163 -20.010
   31    MB   ALA   7           QB       ALA   7   2.475  25.989 -20.574
   32    H    ASP   8           H        ASP   8   0.617  25.626 -17.507
   33    HA   ASP   8           HA       ASP   8   1.737  27.195 -15.387
   34   1HB   ASP   8          2HB       ASP   8  -0.453  25.947 -15.357
   35   2HB   ASP   8          1HB       ASP   8   0.469  24.459 -15.273
   36    QB   ASP   8           QB       ASP   8   0.008  25.203 -15.315
   37    H    VAL   9           H        VAL   9   2.049  23.672 -15.866
   38    HA   VAL   9           HA       VAL   9   4.809  23.976 -15.670
   39    HB   VAL   9           HB       VAL   9   4.971  21.942 -14.177
   40   1HG1  VAL   9          1HG1      VAL   9   3.612  24.379 -13.022
   41   2HG1  VAL   9          3HG1      VAL   9   4.494  23.165 -12.091
   42   3HG1  VAL   9          2HG1      VAL   9   5.350  24.174 -13.260
   43   1HG2  VAL   9          3HG2      VAL   9   2.760  21.122 -14.610
   44   2HG2  VAL   9          2HG2      VAL   9   2.970  21.377 -12.860
   45   3HG2  VAL   9          1HG2      VAL   9   2.071  22.551 -13.854
   46    MG1  VAL   9           QG1      VAL   9   4.485  23.906 -12.791
   47    MG2  VAL   9           QG2      VAL   9   2.601  21.683 -13.774
   48    QG   VAL   9           QQG      VAL   9   3.543  22.795 -13.283
   49    H    THR  10           H        THR  10   2.401  22.969 -17.483
   50    HA   THR  10           HA       THR  10   1.807  21.268 -18.886
   51    HB   THR  10           HB       THR  10   3.441  20.313 -20.267
   52    HG1  THR  10          1HG       THR  10   5.228  21.268 -18.324
   53   1HG2  THR  10          2HG2      THR  10   2.690  22.513 -20.863
   54   2HG2  THR  10          1HG2      THR  10   3.936  23.261 -19.868
   55   3HG2  THR  10          3HG2      THR  10   4.389  22.364 -21.318
   56    MG   THR  10           QG2      THR  10   3.672  22.713 -20.683
   57    H    MET  11           H        MET  11   4.369  19.352 -18.375
   58    HA   MET  11           HA       MET  11   2.805  17.815 -16.461
   59   1HB   MET  11          2HB       MET  11   4.613  16.840 -18.654
   60   2HB   MET  11          1HB       MET  11   4.033  15.842 -17.334
   61   1HG   MET  11          2HG       MET  11   1.694  16.376 -18.087
   62   2HG   MET  11          1HG       MET  11   2.393  17.190 -19.479
   63   1HE   MET  11          1HE       MET  11   1.744  13.792 -17.665
   64   2HE   MET  11          3HE       MET  11   2.627  12.646 -18.673
   65   3HE   MET  11          2HE       MET  11   3.509  13.808 -17.689
   66    QB   MET  11           QB       MET  11   4.323  16.341 -17.994
   67    QG   MET  11           QG       MET  11   2.043  16.783 -18.783
   68    ME   MET  11           QE       MET  11   2.627  13.415 -18.009
   69    H    THR  12           H        THR  12   6.133  17.856 -17.701
   70    HA   THR  12           HA       THR  12   8.133  17.658 -16.702
   71    HB   THR  12           HB       THR  12   8.776  19.464 -15.340
   72    HG1  THR  12          1HG       THR  12   6.065  20.419 -15.583
   73   1HG2  THR  12          1HG2      THR  12   8.777  19.760 -17.714
   74   2HG2  THR  12          3HG2      THR  12   7.088  20.265 -17.705
   75   3HG2  THR  12          2HG2      THR  12   8.322  21.290 -16.963
   76    MG   THR  12           QG2      THR  12   8.063  20.438 -17.461
   77    H    GLY  13           H        GLY  13   6.961  18.847 -13.709
   78   1HA   GLY  13          1HA       GLY  13   8.379  16.974 -12.211
   79   2HA   GLY  13          2HA       GLY  13   6.677  16.505 -12.277
   80    QA   GLY  13           QA       GLY  13   7.528  16.740 -12.244
   81    H    SER  14           H        SER  14   6.812  17.023  -9.857
   82    HA   SER  14           HA       SER  14   7.027  19.790  -9.284
   83   1HB   SER  14          2HB       SER  14   4.567  18.097  -8.739
   84   2HB   SER  14          1HB       SER  14   4.829  19.735  -8.141
   85    HG   SER  14           HG       SER  14   5.178  19.667 -10.791
   86    QB   SER  14           QB       SER  14   4.698  18.916  -8.440
   87    H    ASP  15           H        ASP  15   5.879  19.186  -6.660
   88    HA   ASP  15           HA       ASP  15   8.142  17.833  -5.625
   89   1HB   ASP  15          2HB       ASP  15   7.418  18.845  -3.544
   90   2HB   ASP  15          1HB       ASP  15   7.858  20.070  -4.682
   91    QB   ASP  15           QB       ASP  15   7.638  19.458  -4.113
   92    H    LEU  16           H        LEU  16   6.420  16.364  -6.786
   93    HA   LEU  16           HA       LEU  16   5.429  14.737  -4.605
   94   1HB   LEU  16          2HB       LEU  16   4.367  14.869  -7.401
   95   2HB   LEU  16          1HB       LEU  16   3.799  13.815  -6.121
   96    HG   LEU  16           HG       LEU  16   2.203  15.353  -6.300
   97   1HD1  LEU  16          1HD1      LEU  16   2.666  15.164  -4.015
   98   2HD1  LEU  16          3HD1      LEU  16   3.866  16.454  -4.098
   99   3HD1  LEU  16          2HD1      LEU  16   2.163  16.818  -4.359
  100   1HD2  LEU  16          2HD2      LEU  16   4.208  17.527  -6.655
  101   2HD2  LEU  16          1HD2      LEU  16   3.070  16.825  -7.824
  102   3HD2  LEU  16          3HD2      LEU  16   2.462  17.798  -6.483
  103    MD1  LEU  16           QD1      LEU  16   2.899  16.145  -4.157
  104    MD2  LEU  16           QD2      LEU  16   3.246  17.383  -6.987
  105    QB   LEU  16           QB       LEU  16   4.083  14.342  -6.761
  106    QD   LEU  16           QQD      LEU  16   3.072  16.764  -5.572
  107    H    VAL  17           H        VAL  17   5.494  12.606  -4.929
  108    HA   VAL  17           HA       VAL  17   7.452  11.700  -6.635
  109    HB   VAL  17           HB       VAL  17   7.795  11.898  -3.668
  110   1HG1  VAL  17          3HG1      VAL  17   8.862   9.885  -5.459
  111   2HG1  VAL  17          2HG1      VAL  17   9.729  10.286  -3.926
  112   3HG1  VAL  17          1HG1      VAL  17   8.032   9.665  -3.907
  113   1HG2  VAL  17          1HG2      VAL  17   8.937  13.536  -5.153
  114   2HG2  VAL  17          3HG2      VAL  17  10.043  12.604  -4.152
  115   3HG2  VAL  17          2HG2      VAL  17   9.867  12.198  -5.844
  116    MG1  VAL  17           QG1      VAL  17   8.874   9.945  -4.431
  117    MG2  VAL  17           QG2      VAL  17   9.616  12.779  -5.049
  118    QG   VAL  17           QQG      VAL  17   9.245  11.362  -4.740
  119    H    SER  18           H        SER  18   7.232   9.407  -6.691
  120    HA   SER  18           HA       SER  18   4.967   8.198  -5.259
  121   1HB   SER  18          2HB       SER  18   5.958   7.604  -8.050
  122   2HB   SER  18          1HB       SER  18   4.814   6.584  -7.182
  123    HG   SER  18           HG       SER  18   3.688   8.742  -6.947
  124    QB   SER  18           QB       SER  18   5.386   7.094  -7.616
  125    H    CYS  19           H        CYS  19   5.635   6.752  -3.848
  126    HA   CYS  19           HA       CYS  19   8.106   5.345  -4.442
  127   1HB   CYS  19          2HB       CYS  19   8.178   4.778  -2.027
  128   2HB   CYS  19          1HB       CYS  19   7.893   6.484  -2.221
  129    HG   CYS  19           HG       CYS  19   6.550   5.104  -0.109
  130    QB   CYS  19           QB       CYS  19   8.036   5.631  -2.124
  131    H    CYS  20           H        CYS  20   7.876   3.395  -5.305
  132    HA   CYS  20           HA       CYS  20   5.161   2.263  -5.331
  133   1HB   CYS  20          2HB       CYS  20   7.426   1.821  -7.294
  134   2HB   CYS  20          1HB       CYS  20   5.751   1.323  -7.469
  135    HG   CYS  20           HG       CYS  20   7.083   3.949  -8.720
  136    QB   CYS  20           QB       CYS  20   6.589   1.572  -7.382
  137    H    TYR  21           H        TYR  21   5.201   0.600  -3.786
  138    HA   TYR  21           HA       TYR  21   7.815  -0.652  -3.552
  139   1HB   TYR  21          2HB       TYR  21   7.609  -0.911  -1.279
  140   2HB   TYR  21          1HB       TYR  21   7.236   0.751  -1.649
  141    HD1  TYR  21          1HD       TYR  21   5.794  -2.464  -0.435
  142    HD2  TYR  21          2HD       TYR  21   5.238   1.727  -0.926
  143    HE1  TYR  21          1HE       TYR  21   3.884  -2.555   1.093
  144    HE2  TYR  21          2HE       TYR  21   3.360   1.630   0.621
  145    HH   TYR  21           HH       TYR  21   1.782   0.068   1.524
  146    QB   TYR  21           QB       TYR  21   7.423  -0.080  -1.464
  147    QD   TYR  21           QD       TYR  21   5.516  -0.369  -0.680
  148    QE   TYR  21           QE       TYR  21   3.622  -0.462   0.857
  149    QR   TYR  21           QR       TYR  21   4.569  -0.416   0.088
  150    H    ARG  22           H        ARG  22   8.093  -2.671  -3.372
  151    HA   ARG  22           HA       ARG  22   5.864  -4.454  -3.903
  152   1HB   ARG  22          2HB       ARG  22   7.446  -4.982  -5.513
  153   2HB   ARG  22          1HB       ARG  22   8.781  -4.432  -4.523
  154   1HG   ARG  22          2HG       ARG  22   7.386  -6.978  -3.790
  155   2HG   ARG  22          1HG       ARG  22   8.519  -6.977  -5.140
  156   1HD   ARG  22          2HD       ARG  22  10.305  -6.208  -3.714
  157   2HD   ARG  22          1HD       ARG  22   9.185  -5.930  -2.388
  158    HE   ARG  22           HE       ARG  22   8.839  -8.388  -2.415
  159   1HH1  ARG  22          1HH1      ARG  22  11.909  -7.045  -3.626
  160   2HH1  ARG  22          2HH1      ARG  22  12.833  -8.389  -3.161
  161   1HH2  ARG  22          1HH2      ARG  22  10.174 -10.295  -1.857
  162   2HH2  ARG  22          2HH2      ARG  22  11.826 -10.235  -2.185
  163    QB   ARG  22           QB       ARG  22   8.114  -4.707  -5.018
  164    QG   ARG  22           QG       ARG  22   7.952  -6.978  -4.465
  165    QD   ARG  22           QD       ARG  22   9.745  -6.069  -3.051
  166    QH1  ARG  22           QH1      ARG  22  12.371  -7.717  -3.394
  167    QH2  ARG  22           QH2      ARG  22  11.000 -10.265  -2.021
  168    H    SER  23           H        SER  23   5.332  -6.033  -2.421
  169    HA   SER  23           HA       SER  23   7.135  -6.527  -0.210
  170   1HB   SER  23          2HB       SER  23   4.341  -5.467   0.233
  171   2HB   SER  23          1HB       SER  23   5.421  -6.080   1.484
  172    HG   SER  23           HG       SER  23   6.498  -4.198  -0.136
  173    QB   SER  23           QB       SER  23   4.881  -5.773   0.858
  174    H    LEU  24           H        LEU  24   5.953  -8.061   1.283
  175    HA   LEU  24           HA       LEU  24   4.163  -9.837  -0.201
  176   1HB   LEU  24          2HB       LEU  24   6.131 -10.493   2.031
  177   2HB   LEU  24          1HB       LEU  24   4.976 -11.621   1.373
  178    HG   LEU  24           HG       LEU  24   7.082 -12.222   0.524
  179   1HD1  LEU  24          1HD1      LEU  24   5.626 -10.749  -1.623
  180   2HD1  LEU  24          3HD1      LEU  24   6.872 -11.969  -1.879
  181   3HD1  LEU  24          2HD1      LEU  24   5.365 -12.414  -1.082
  182   1HD2  LEU  24          3HD2      LEU  24   7.505  -9.367  -0.374
  183   2HD2  LEU  24          2HD2      LEU  24   8.351 -10.176   0.941
  184   3HD2  LEU  24          1HD2      LEU  24   8.583 -10.719  -0.722
  185    MD1  LEU  24           QD1      LEU  24   5.955 -11.711  -1.528
  186    MD2  LEU  24           QD2      LEU  24   8.146 -10.087  -0.052
  187    QB   LEU  24           QB       LEU  24   5.553 -11.057   1.702
  188    QD   LEU  24           QQD      LEU  24   7.050 -10.899  -0.790
  189    H    ALA  25           H        ALA  25   2.423 -10.613   1.226
  190    HA   ALA  25           HA       ALA  25   1.998  -8.817   3.505
  191   1HB   ALA  25          1HB       ALA  25   0.191 -10.804   2.103
  192   2HB   ALA  25          2HB       ALA  25   0.149  -9.046   1.923
  193   3HB   ALA  25          3HB       ALA  25  -0.287  -9.784   3.464
  194    MB   ALA  25           QB       ALA  25   0.017  -9.878   2.497
  195    H    ALA  26           H        ALA  26   2.127  -9.764   5.755
  196    HA   ALA  26           HA       ALA  26   3.474 -12.129   5.758
  197   1HB   ALA  26          3HB       ALA  26   3.763 -10.546   7.425
  198   2HB   ALA  26          2HB       ALA  26   2.058 -10.531   7.853
  199   3HB   ALA  26          1HB       ALA  26   3.066 -11.972   8.210
  200    MB   ALA  26           QB       ALA  26   2.962 -11.016   7.829
  201    HA   PRO  27           HA       PRO  27   0.100 -14.927   5.026
  202   1HB   PRO  27          2HB       PRO  27   1.341 -17.135   6.038
  203   2HB   PRO  27          1HB       PRO  27   1.683 -16.441   4.439
  204   1HG   PRO  27          2HG       PRO  27   3.019 -15.735   7.048
  205   2HG   PRO  27          1HG       PRO  27   3.840 -16.410   5.579
  206   1HD   PRO  27          2HD       PRO  27   3.899 -13.942   6.103
  207   2HD   PRO  27          1HD       PRO  27   3.296 -14.366   4.478
  208    QB   PRO  27           QB       PRO  27   1.512 -16.788   5.239
  209    QG   PRO  27           QG       PRO  27   3.430 -16.072   6.313
  210    QD   PRO  27           QD       PRO  27   3.597 -14.154   5.290
  211    H    ASP  28           H        ASP  28   1.044 -13.941   7.928
  212    HA   ASP  28           HA       ASP  28  -0.895 -15.681   9.310
  213   1HB   ASP  28          2HB       ASP  28   1.419 -15.931  10.196
  214   2HB   ASP  28          1HB       ASP  28   1.415 -14.226  10.631
  215    QB   ASP  28           QB       ASP  28   1.417 -15.079  10.414
  216    H    LEU  29           H        LEU  29  -0.894 -12.994   7.869
  217    HA   LEU  29           HA       LEU  29  -1.727 -11.029   9.628
  218   1HB   LEU  29          2HB       LEU  29  -1.973 -11.429   6.725
  219   2HB   LEU  29          1HB       LEU  29  -2.982 -10.213   7.483
  220    HG   LEU  29           HG       LEU  29  -0.011 -10.282   7.861
  221   1HD1  LEU  29          2HD1      LEU  29  -0.643 -10.090   5.498
  222   2HD1  LEU  29          1HD1      LEU  29  -1.610  -8.657   5.899
  223   3HD1  LEU  29          3HD1      LEU  29   0.170  -8.659   6.093
  224   1HD2  LEU  29          1HD2      LEU  29  -2.125  -8.165   8.247
  225   2HD2  LEU  29          3HD2      LEU  29  -1.301  -9.054   9.532
  226   3HD2  LEU  29          2HD2      LEU  29  -0.393  -7.963   8.495
  227    MD1  LEU  29           QD1      LEU  29  -0.694  -9.135   5.830
  228    MD2  LEU  29           QD2      LEU  29  -1.273  -8.394   8.758
  229    QB   LEU  29           QB       LEU  29  -2.477 -10.821   7.104
  230    QD   LEU  29           QQD      LEU  29  -0.984  -8.765   7.294
  231    H    THR  30           H        THR  30  -3.629 -10.066   9.872
  232    HA   THR  30           HA       THR  30  -5.926 -11.846   9.999
  233    HB   THR  30           HB       THR  30  -6.230  -9.879  11.681
  234    HG1  THR  30          1HG       THR  30  -4.240  -9.259  12.330
  235   1HG2  THR  30          3HG2      THR  30  -5.236 -12.640  11.992
  236   2HG2  THR  30          2HG2      THR  30  -5.794 -11.660  13.383
  237   3HG2  THR  30          1HG2      THR  30  -6.897 -12.026  12.023
  238    MG   THR  30           QG2      THR  30  -5.976 -12.109  12.466
  239    H    LEU  31           H        LEU  31  -7.830 -11.036   9.516
  240    HA   LEU  31           HA       LEU  31  -8.251  -9.121   7.547
  241   1HB   LEU  31          2HB       LEU  31  -9.816 -10.897   8.444
  242   2HB   LEU  31          1HB       LEU  31  -9.959  -9.749   9.786
  243    HG   LEU  31           HG       LEU  31 -11.021  -8.103   8.367
  244   1HD1  LEU  31          1HD1      LEU  31  -9.911  -8.619   6.273
  245   2HD1  LEU  31          3HD1      LEU  31 -10.832 -10.126   6.138
  246   3HD1  LEU  31          2HD1      LEU  31 -11.654  -8.556   6.095
  247   1HD2  LEU  31          2HD2      LEU  31 -12.456  -9.718   9.488
  248   2HD2  LEU  31          1HD2      LEU  31 -13.141  -9.244   7.934
  249   3HD2  LEU  31          3HD2      LEU  31 -12.329 -10.802   8.106
  250    MD1  LEU  31           QD1      LEU  31 -10.799  -9.100   6.169
  251    MD2  LEU  31           QD2      LEU  31 -12.642  -9.921   8.509
  252    QB   LEU  31           QB       LEU  31  -9.887 -10.323   9.115
  253    QD   LEU  31           QQD      LEU  31 -11.721  -9.511   7.339
  254    H    ARG  32           H        ARG  32  -8.456  -8.723  11.096
  255    HA   ARG  32           HA       ARG  32  -9.404  -6.050  10.810
  256   1HB   ARG  32          2HB       ARG  32  -9.721  -7.308  12.930
  257   2HB   ARG  32          1HB       ARG  32  -7.989  -7.202  13.224
  258   1HG   ARG  32          2HG       ARG  32  -9.025  -5.488  14.523
  259   2HG   ARG  32          1HG       ARG  32  -8.208  -4.735  13.149
  260   1HD   ARG  32          2HD       ARG  32 -10.361  -4.624  11.943
  261   2HD   ARG  32          1HD       ARG  32 -11.164  -5.290  13.365
  262    HE   ARG  32           HE       ARG  32 -10.086  -2.641  13.000
  263   1HH1  ARG  32          1HH1      ARG  32 -11.453  -4.998  15.290
  264   2HH1  ARG  32          2HH1      ARG  32 -11.831  -3.857  16.480
  265   1HH2  ARG  32          1HH2      ARG  32 -10.636  -1.037  14.671
  266   2HH2  ARG  32          2HH2      ARG  32 -11.365  -1.552  16.112
  267    QB   ARG  32           QB       ARG  32  -8.855  -7.255  13.077
  268    QG   ARG  32           QG       ARG  32  -8.617  -5.112  13.836
  269    QD   ARG  32           QD       ARG  32 -10.763  -4.957  12.654
  270    QH1  ARG  32           QH1      ARG  32 -11.642  -4.428  15.885
  271    QH2  ARG  32           QH2      ARG  32 -11.000  -1.294  15.391
  272    H    ASP  33           H        ASP  33  -6.348  -7.460  10.590
  273    HA   ASP  33           HA       ASP  33  -4.902  -5.047  11.025
  274   1HB   ASP  33          2HB       ASP  33  -4.094  -7.758   9.992
  275   2HB   ASP  33          1HB       ASP  33  -2.970  -6.413  10.019
  276    QB   ASP  33           QB       ASP  33  -3.532  -7.086  10.005
  277    H    LEU  34           H        LEU  34  -6.253  -6.800   8.229
  278    HA   LEU  34           HA       LEU  34  -4.979  -4.987   6.316
  279   1HB   LEU  34          2HB       LEU  34  -7.447  -6.716   5.964
  280   2HB   LEU  34          1HB       LEU  34  -6.822  -5.677   4.713
  281    HG   LEU  34           HG       LEU  34  -6.227  -7.918   4.221
  282   1HD1  LEU  34          3HD1      LEU  34  -4.539  -6.268   3.672
  283   2HD1  LEU  34          2HD1      LEU  34  -3.791  -6.494   5.253
  284   3HD1  LEU  34          1HD1      LEU  34  -3.808  -7.815   4.092
  285   1HD2  LEU  34          2HD2      LEU  34  -6.471  -8.687   6.519
  286   2HD2  LEU  34          1HD2      LEU  34  -5.002  -9.348   5.717
  287   3HD2  LEU  34          3HD2      LEU  34  -4.884  -8.003   6.867
  288    MD1  LEU  34           QD1      LEU  34  -4.046  -6.859   4.339
  289    MD2  LEU  34           QD2      LEU  34  -5.453  -8.679   6.368
  290    QB   LEU  34           QB       LEU  34  -7.135  -6.197   5.339
  291    QD   LEU  34           QQD      LEU  34  -4.749  -7.769   5.353
  292    H    LEU  35           H        LEU  35  -7.888  -5.197   8.034
  293    HA   LEU  35           HA       LEU  35  -9.123  -2.952   6.835
  294   1HB   LEU  35          2HB       LEU  35  -9.729  -4.606   9.261
  295   2HB   LEU  35          1HB       LEU  35 -10.647  -3.153   8.932
  296    HG   LEU  35           HG       LEU  35 -11.665  -5.377   8.163
  297   1HD1  LEU  35          1HD1      LEU  35 -11.250  -3.181   6.123
  298   2HD1  LEU  35          3HD1      LEU  35 -12.542  -4.381   6.087
  299   3HD1  LEU  35          2HD1      LEU  35 -12.476  -3.194   7.393
  300   1HD2  LEU  35          2HD2      LEU  35  -9.526  -6.242   7.169
  301   2HD2  LEU  35          1HD2      LEU  35 -10.890  -6.287   6.007
  302   3HD2  LEU  35          3HD2      LEU  35  -9.655  -5.024   5.958
  303    MD1  LEU  35           QD1      LEU  35 -12.089  -3.585   6.535
  304    MD2  LEU  35           QD2      LEU  35 -10.024  -5.851   6.378
  305    QB   LEU  35           QB       LEU  35 -10.188  -3.879   9.096
  306    QD   LEU  35           QQD      LEU  35 -11.057  -4.718   6.456
  307    H    ASP  36           H        ASP  36  -7.001  -3.367   9.444
  308    HA   ASP  36           HA       ASP  36  -7.233  -0.610  10.352
  309   1HB   ASP  36          2HB       ASP  36  -6.182  -2.296  11.872
  310   2HB   ASP  36          1HB       ASP  36  -4.824  -2.419  10.756
  311    QB   ASP  36           QB       ASP  36  -5.503  -2.357  11.314
  312    H    ILE  37           H        ILE  37  -4.947  -2.389   8.370
  313    HA   ILE  37           HA       ILE  37  -3.207  -0.485   7.506
  314    HB   ILE  37           HB       ILE  37  -4.433  -2.836   6.063
  315   1HG1  ILE  37          2HG1      ILE  37  -1.567  -2.432   6.815
  316   2HG1  ILE  37          1HG1      ILE  37  -2.692  -3.026   8.011
  317   1HG2  ILE  37          3HG2      ILE  37  -3.887  -1.246   4.311
  318   2HG2  ILE  37          2HG2      ILE  37  -2.256  -1.064   4.962
  319   3HG2  ILE  37          1HG2      ILE  37  -2.770  -2.610   4.281
  320   1HD1  ILE  37          1HD1      ILE  37  -2.135  -4.331   5.340
  321   2HD1  ILE  37          3HD1      ILE  37  -1.385  -4.790   6.861
  322   3HD1  ILE  37          2HD1      ILE  37  -3.114  -5.014   6.655
  323    MG   ILE  37           QG2      ILE  37  -2.971  -1.640   4.518
  324    MD   ILE  37           QD1      ILE  37  -2.211  -4.712   6.285
  325    QG   ILE  37           QG1      ILE  37  -2.129  -2.729   7.413
  326    H    VAL  38           H        VAL  38  -6.230  -1.323   5.864
  327    HA   VAL  38           HA       VAL  38  -6.098   0.724   3.978
  328    HB   VAL  38           HB       VAL  38  -7.628  -1.169   3.620
  329   1HG1  VAL  38          2HG1      VAL  38  -8.253  -1.569   5.833
  330   2HG1  VAL  38          1HG1      VAL  38  -9.300  -0.143   5.861
  331   3HG1  VAL  38          3HG1      VAL  38  -9.659  -1.501   4.771
  332   1HG2  VAL  38          1HG2      VAL  38  -9.141   1.424   3.776
  333   2HG2  VAL  38          3HG2      VAL  38  -8.220   0.842   2.389
  334   3HG2  VAL  38          2HG2      VAL  38  -9.668  -0.011   2.899
  335    MG1  VAL  38           QG1      VAL  38  -9.071  -1.071   5.488
  336    MG2  VAL  38           QG2      VAL  38  -9.010   0.752   3.021
  337    QG   VAL  38           QQG      VAL  38  -9.040  -0.160   4.255
  338    H    GLU  39           H        GLU  39  -7.720   0.774   7.125
  339    HA   GLU  39           HA       GLU  39  -8.868   3.314   6.940
  340   1HB   GLU  39          2HB       GLU  39  -7.982   1.642   9.261
  341   2HB   GLU  39          1HB       GLU  39  -8.718   3.221   9.477
  342   1HG   GLU  39          2HG       GLU  39 -10.000   0.938   8.004
  343   2HG   GLU  39          1HG       GLU  39 -10.294   1.331   9.698
  344    QB   GLU  39           QB       GLU  39  -8.350   2.431   9.369
  345    QG   GLU  39           QG       GLU  39 -10.147   1.135   8.851
  346    H    THR  40           H        THR  40  -5.889   2.378   8.650
  347    HA   THR  40           HA       THR  40  -5.136   4.956   9.369
  348    HB   THR  40           HB       THR  40  -3.345   2.551   8.953
  349    HG1  THR  40          1HG       THR  40  -4.188   1.744  10.761
  350   1HG2  THR  40          3HG2      THR  40  -3.113   4.957  10.783
  351   2HG2  THR  40          2HG2      THR  40  -1.987   3.600  10.727
  352   3HG2  THR  40          1HG2      THR  40  -2.150   4.666   9.336
  353    MG   THR  40           QG2      THR  40  -2.416   4.407  10.282
  354    H    SER  41           H        SER  41  -4.488   3.064   6.462
  355    HA   SER  41           HA       SER  41  -2.439   4.613   5.352
  356   1HB   SER  41          2HB       SER  41  -3.238   2.324   4.613
  357   2HB   SER  41          1HB       SER  41  -4.606   3.123   3.850
  358    HG   SER  41           HG       SER  41  -2.797   4.393   2.738
  359    QB   SER  41           QB       SER  41  -3.922   2.723   4.231
  360    H    GLN  42           H        GLN  42  -5.965   4.716   4.796
  361    HA   GLN  42           HA       GLN  42  -6.048   6.944   3.065
  362   1HB   GLN  42          2HB       GLN  42  -8.046   5.903   5.024
  363   2HB   GLN  42          1HB       GLN  42  -8.392   7.144   3.834
  364   1HG   GLN  42          2HG       GLN  42  -8.183   5.695   2.060
  365   2HG   GLN  42          1HG       GLN  42  -7.272   4.528   3.015
  366   1HE2  GLN  42          1HE2      GLN  42  -9.160   4.703   5.288
  367   2HE2  GLN  42          2HE2      GLN  42 -10.489   3.776   4.685
  368    QB   GLN  42           QB       GLN  42  -8.219   6.523   4.429
  369    QG   GLN  42           QG       GLN  42  -7.728   5.111   2.537
  370    QE   GLN  42           QE2      GLN  42  -9.824   4.240   4.987
  371    H    ALA  43           H        ALA  43  -6.431   6.649   6.529
  372    HA   ALA  43           HA       ALA  43  -7.164   9.291   7.002
  373   1HB   ALA  43          2HB       ALA  43  -6.971   8.735   9.319
  374   2HB   ALA  43          3HB       ALA  43  -5.882   7.381   8.945
  375   3HB   ALA  43          1HB       ALA  43  -7.561   7.328   8.410
  376    MB   ALA  43           QB       ALA  43  -6.805   7.815   8.892
  377    H    HIS  44           H        HIS  44  -4.001   7.886   6.696
  378    HA   HIS  44           HA       HIS  44  -2.784  10.411   7.557
  379   1HB   HIS  44          2HB       HIS  44  -1.745   8.096   8.085
  380   2HB   HIS  44          1HB       HIS  44  -1.414   8.049   6.350
  381    HD1  HIS  44          1HD       HIS  44   0.733   8.087   8.773
  382    HD2  HIS  44          2HD       HIS  44  -0.161  11.183   6.158
  383    HE1  HIS  44          1HE       HIS  44   2.763   9.573   8.709
  384    HE2  HIS  44          2HE       HIS  44   2.172  11.471   7.319
  385    QB   HIS  44           QB       HIS  44  -1.579   8.073   7.218
  386    H    ASN  45           H        ASN  45  -3.202   8.452   4.629
  387    HA   ASN  45           HA       ASN  45  -1.641  10.124   3.032
  388   1HB   ASN  45          2HB       ASN  45  -3.701   8.054   2.343
  389   2HB   ASN  45          1HB       ASN  45  -2.927   9.024   1.089
  390   1HD2  ASN  45          1HD2      ASN  45  -1.977   7.099   0.253
  391   2HD2  ASN  45          2HD2      ASN  45  -0.628   6.374   1.053
  392    QB   ASN  45           QB       ASN  45  -3.314   8.539   1.716
  393    QD   ASN  45           QD2      ASN  45  -1.303   6.737   0.653
  394    H    ALA  46           H        ALA  46  -5.110  10.152   3.630
  395    HA   ALA  46           HA       ALA  46  -5.708  12.192   1.793
  396   1HB   ALA  46          3HB       ALA  46  -7.726  12.535   3.150
  397   2HB   ALA  46          1HB       ALA  46  -6.998  11.570   4.433
  398   3HB   ALA  46          2HB       ALA  46  -7.423  10.808   2.891
  399    MB   ALA  46           QB       ALA  46  -7.383  11.638   3.491
  400    H    ARG  47           H        ARG  47  -4.707  12.203   5.165
  401    HA   ARG  47           HA       ARG  47  -4.902  14.968   5.616
  402   1HB   ARG  47          2HB       ARG  47  -4.643  13.126   7.330
  403   2HB   ARG  47          1HB       ARG  47  -2.951  13.090   6.804
  404   1HG   ARG  47          2HG       ARG  47  -2.529  15.277   7.557
  405   2HG   ARG  47          1HG       ARG  47  -4.233  15.552   7.934
  406   1HD   ARG  47          2HD       ARG  47  -3.055  15.118   9.973
  407   2HD   ARG  47          1HD       ARG  47  -4.094  13.746   9.602
  408    HE   ARG  47           HE       ARG  47  -1.197  13.760   9.059
  409   1HH1  ARG  47          1HH1      ARG  47  -4.094  12.033  10.124
  410   2HH1  ARG  47          2HH1      ARG  47  -3.253  10.751  10.849
  411   1HH2  ARG  47          1HH2      ARG  47  -0.031  11.941   9.997
  412   2HH2  ARG  47          2HH2      ARG  47  -0.893  10.682  10.760
  413    QB   ARG  47           QB       ARG  47  -3.797  13.108   7.067
  414    QG   ARG  47           QG       ARG  47  -3.381  15.414   7.745
  415    QD   ARG  47           QD       ARG  47  -3.575  14.432   9.787
  416    QH1  ARG  47           QH1      ARG  47  -3.674  11.392  10.486
  417    QH2  ARG  47           QH2      ARG  47  -0.462  11.311  10.379
  418    H    ALA  48           H        ALA  48  -2.154  12.909   4.727
  419    HA   ALA  48           HA       ALA  48  -0.497  15.170   4.600
  420   1HB   ALA  48          2HB       ALA  48   0.459  13.066   5.343
  421   2HB   ALA  48          3HB       ALA  48   1.303  13.688   3.930
  422   3HB   ALA  48          1HB       ALA  48   0.172  12.344   3.756
  423    MB   ALA  48           QB       ALA  48   0.644  13.033   4.343
  424    H    GLN  49           H        GLN  49  -2.765  14.069   2.502
  425    HA   GLN  49           HA       GLN  49  -3.496  14.847   0.507
  426   1HB   GLN  49          2HB       GLN  49  -0.937  16.426   0.542
  427   2HB   GLN  49          1HB       GLN  49  -2.235  16.685  -0.658
  428   1HG   GLN  49          2HG       GLN  49  -3.480  17.763   0.901
  429   2HG   GLN  49          1HG       GLN  49  -2.902  16.567   2.095
  430   1HE2  GLN  49          1HE2      GLN  49  -1.316  17.011   3.398
  431   2HE2  GLN  49          2HE2      GLN  49  -0.373  18.442   3.449
  432    QB   GLN  49           QB       GLN  49  -1.586  16.555  -0.058
  433    QG   GLN  49           QG       GLN  49  -3.191  17.165   1.498
  434    QE   GLN  49           QE2      GLN  49  -0.845  17.726   3.423
  435    H    LEU  50           H        LEU  50  -1.857  12.617   0.937
  436    HA   LEU  50           HA       LEU  50  -0.444  12.013  -1.505
  437   1HB   LEU  50          2HB       LEU  50  -0.893  10.732   1.118
  438   2HB   LEU  50          1HB       LEU  50  -0.472   9.706  -0.235
  439    HG   LEU  50           HG       LEU  50   1.575  10.804  -0.523
  440   1HD1  LEU  50          1HD1      LEU  50   0.981  13.091   0.009
  441   2HD1  LEU  50          3HD1      LEU  50   0.812  12.671   1.712
  442   3HD1  LEU  50          2HD1      LEU  50   2.395  12.592   0.937
  443   1HD2  LEU  50          1HD2      LEU  50   1.505   9.070   1.132
  444   2HD2  LEU  50          3HD2      LEU  50   2.699  10.293   1.559
  445   3HD2  LEU  50          2HD2      LEU  50   1.137  10.265   2.380
  446    MD1  LEU  50           QD1      LEU  50   1.396  12.785   0.886
  447    MD2  LEU  50           QD2      LEU  50   1.780   9.876   1.690
  448    QB   LEU  50           QB       LEU  50  -0.683  10.219   0.442
  449    QD   LEU  50           QQD      LEU  50   1.588  11.330   1.288
  450    H    THR  51           H        THR  51  -1.103  10.623  -3.071
  451    HA   THR  51           HA       THR  51  -3.794   9.528  -2.886
  452    HB   THR  51           HB       THR  51  -4.017  10.082  -5.316
  453    HG1  THR  51          1HG       THR  51  -2.040  10.347  -6.183
  454   1HG2  THR  51          3HG2      THR  51  -4.720  11.541  -3.509
  455   2HG2  THR  51          2HG2      THR  51  -3.138  12.358  -3.600
  456   3HG2  THR  51          1HG2      THR  51  -4.265  12.466  -4.966
  457    MG   THR  51           QG2      THR  51  -4.041  12.122  -4.025
  458    H    GLY  52           H        GLY  52  -4.061   7.479  -4.251
  459   1HA   GLY  52          1HA       GLY  52  -2.285   5.758  -3.037
  460   2HA   GLY  52          2HA       GLY  52  -1.681   5.991  -4.667
  461    QA   GLY  52           QA       GLY  52  -1.983   5.874  -3.852
  462    H    ALA  53           H        ALA  53  -1.997   3.668  -4.313
  463    HA   ALA  53           HA       ALA  53  -4.588   2.598  -4.259
  464   1HB   ALA  53          3HB       ALA  53  -4.691   3.221  -6.618
  465   2HB   ALA  53          1HB       ALA  53  -4.610   1.466  -6.470
  466   3HB   ALA  53          2HB       ALA  53  -3.173   2.392  -6.930
  467    MB   ALA  53           QB       ALA  53  -4.158   2.360  -6.673
  468    H    LEU  54           H        LEU  54  -4.574   0.260  -4.226
  469    HA   LEU  54           HA       LEU  54  -1.942  -0.815  -3.520
  470   1HB   LEU  54          2HB       LEU  54  -3.099  -0.133  -1.454
  471   2HB   LEU  54          1HB       LEU  54  -4.539  -0.953  -1.954
  472    HG   LEU  54           HG       LEU  54  -3.402  -2.048  -0.073
  473   1HD1  LEU  54          2HD1      LEU  54  -4.781  -3.461  -1.418
  474   2HD1  LEU  54          1HD1      LEU  54  -3.433  -3.791  -2.506
  475   3HD1  LEU  54          3HD1      LEU  54  -3.376  -4.349  -0.833
  476   1HD2  LEU  54          1HD2      LEU  54  -1.142  -2.467  -2.000
  477   2HD2  LEU  54          3HD2      LEU  54  -1.150  -1.558  -0.478
  478   3HD2  LEU  54          2HD2      LEU  54  -1.329  -3.313  -0.464
  479    MD1  LEU  54           QD1      LEU  54  -3.863  -3.867  -1.585
  480    MD2  LEU  54           QD2      LEU  54  -1.207  -2.446  -0.981
  481    QB   LEU  54           QB       LEU  54  -3.819  -0.543  -1.704
  482    QD   LEU  54           QQD      LEU  54  -2.535  -3.156  -1.283
  483    H    PHE  55           H        PHE  55  -1.566  -2.725  -4.406
  484    HA   PHE  55           HA       PHE  55  -3.833  -4.270  -5.346
  485   1HB   PHE  55          2HB       PHE  55  -1.137  -3.902  -6.676
  486   2HB   PHE  55          1HB       PHE  55  -2.376  -5.037  -7.211
  487    HD1  PHE  55          1HD       PHE  55  -4.602  -4.121  -7.953
  488    HD2  PHE  55          2HD       PHE  55  -1.197  -1.655  -7.366
  489    HE1  PHE  55          1HE       PHE  55  -5.632  -2.382  -9.350
  490    HE2  PHE  55          2HE       PHE  55  -2.227   0.087  -8.795
  491    HZ   PHE  55           HZ       PHE  55  -4.446  -0.282  -9.767
  492    QB   PHE  55           QB       PHE  55  -1.756  -4.470  -6.943
  493    QD   PHE  55           QD       PHE  55  -2.899  -2.888  -7.659
  494    QE   PHE  55           QE       PHE  55  -3.930  -1.148  -9.073
  495    QR   PHE  55           QR       PHE  55  -3.621  -1.670  -8.646
  496    H    TYR  56           H        TYR  56  -3.947  -6.103  -4.401
  497    HA   TYR  56           HA       TYR  56  -1.594  -7.216  -3.065
  498   1HB   TYR  56          2HB       TYR  56  -3.327  -6.489  -1.507
  499   2HB   TYR  56          1HB       TYR  56  -4.578  -7.342  -2.344
  500    HD1  TYR  56          1HD       TYR  56  -3.677 -10.102  -2.507
  501    HD2  TYR  56          2HD       TYR  56  -2.947  -7.262   0.574
  502    HE1  TYR  56          1HE       TYR  56  -3.394 -11.938  -0.902
  503    HE2  TYR  56          2HE       TYR  56  -2.637  -9.104   2.194
  504    HH   TYR  56           HH       TYR  56  -3.299 -11.479   2.468
  505    QB   TYR  56           QB       TYR  56  -3.953  -6.916  -1.925
  506    QD   TYR  56           QD       TYR  56  -3.312  -8.682  -0.967
  507    QE   TYR  56           QE       TYR  56  -3.015 -10.521   0.646
  508    QR   TYR  56           QR       TYR  56  -3.164  -9.602  -0.160
  509    H    SER  57           H        SER  57  -0.882  -8.800  -4.363
  510    HA   SER  57           HA       SER  57  -2.847 -10.132  -6.062
  511   1HB   SER  57          2HB       SER  57  -1.258  -8.811  -7.315
  512   2HB   SER  57          1HB       SER  57   0.092  -9.628  -6.541
  513    HG   SER  57           HG       SER  57  -1.236 -10.311  -8.717
  514    QB   SER  57           QB       SER  57  -0.583  -9.220  -6.928
  515    H    GLN  58           H        GLN  58  -3.397 -11.847  -4.773
  516    HA   GLN  58           HA       GLN  58  -3.339 -14.067  -4.206
  517   1HB   GLN  58          2HB       GLN  58  -2.189 -14.315  -6.375
  518   2HB   GLN  58          1HB       GLN  58  -0.649 -14.023  -5.589
  519   1HG   GLN  58          2HG       GLN  58  -0.904 -16.363  -6.046
  520   2HG   GLN  58          1HG       GLN  58  -0.956 -16.092  -4.307
  521   1HE2  GLN  58          1HE2      GLN  58  -2.768 -16.969  -7.104
  522   2HE2  GLN  58          2HE2      GLN  58  -4.142 -17.590  -6.260
  523    QB   GLN  58           QB       GLN  58  -1.419 -14.169  -5.982
  524    QG   GLN  58           QG       GLN  58  -0.930 -16.228  -5.176
  525    QE   GLN  58           QE2      GLN  58  -3.455 -17.280  -6.682
  526    H    GLY  59           H        GLY  59  -1.044 -11.947  -2.997
  527   1HA   GLY  59          1HA       GLY  59   0.172 -13.812  -1.126
  528   2HA   GLY  59          2HA       GLY  59  -0.902 -12.595  -0.437
  529    QA   GLY  59           QA       GLY  59  -0.365 -13.204  -0.781
  530    H    VAL  60           H        VAL  60   0.858 -11.813  -3.299
  531    HA   VAL  60           HA       VAL  60   2.912 -10.520  -1.745
  532    HB   VAL  60           HB       VAL  60   4.030  -9.946  -3.795
  533   1HG1  VAL  60          2HG1      VAL  60   4.383 -12.198  -3.071
  534   2HG1  VAL  60          1HG1      VAL  60   2.980 -12.744  -3.985
  535   3HG1  VAL  60          3HG1      VAL  60   4.396 -12.127  -4.834
  536   1HG2  VAL  60          2HG2      VAL  60   2.128  -9.280  -5.174
  537   2HG2  VAL  60          1HG2      VAL  60   3.142 -10.444  -6.034
  538   3HG2  VAL  60          3HG2      VAL  60   1.621 -10.964  -5.306
  539    MG1  VAL  60           QG1      VAL  60   3.920 -12.357  -3.963
  540    MG2  VAL  60           QG2      VAL  60   2.297 -10.229  -5.505
  541    QG   VAL  60           QQG      VAL  60   3.108 -11.293  -4.734
  542    H    PHE  61           H        PHE  61   3.192  -8.348  -1.635
  543    HA   PHE  61           HA       PHE  61   0.775  -6.765  -2.113
  544   1HB   PHE  61          2HB       PHE  61   2.936  -6.812  -0.216
  545   2HB   PHE  61          1HB       PHE  61   2.589  -5.200  -0.822
  546    HD1  PHE  61          1HD       PHE  61   2.360  -6.836   1.876
  547    HD2  PHE  61          2HD       PHE  61  -0.421  -5.319  -0.989
  548    HE1  PHE  61          1HE       PHE  61   0.708  -6.548   3.624
  549    HE2  PHE  61          2HE       PHE  61  -2.064  -5.020   0.803
  550    HZ   PHE  61           HZ       PHE  61  -1.431  -5.580   3.114
  551    QB   PHE  61           QB       PHE  61   2.763  -6.006  -0.519
  552    QD   PHE  61           QD       PHE  61   0.969  -6.077   0.444
  553    QE   PHE  61           QE       PHE  61  -0.678  -5.784   2.214
  554    QR   PHE  61           QR       PHE  61  -0.169  -5.861   1.686
  555    H    PHE  62           H        PHE  62   0.760  -5.045  -3.476
  556    HA   PHE  62           HA       PHE  62   3.246  -3.718  -4.000
  557   1HB   PHE  62          2HB       PHE  62   2.923  -4.951  -6.083
  558   2HB   PHE  62          1HB       PHE  62   1.246  -4.411  -6.176
  559    HD1  PHE  62          1HD       PHE  62   4.737  -3.100  -6.137
  560    HD2  PHE  62          2HD       PHE  62   0.707  -2.446  -7.323
  561    HE1  PHE  62          1HE       PHE  62   5.429  -1.083  -7.355
  562    HE2  PHE  62          2HE       PHE  62   1.401  -0.420  -8.555
  563    HZ   PHE  62           HZ       PHE  62   3.757   0.260  -8.563
  564    QB   PHE  62           QB       PHE  62   2.085  -4.681  -6.129
  565    QD   PHE  62           QD       PHE  62   2.722  -2.773  -6.730
  566    QE   PHE  62           QE       PHE  62   3.415  -0.752  -7.955
  567    QR   PHE  62           QR       PHE  62   3.206  -1.358  -7.587
  568    H    GLN  63           H        GLN  63   3.022  -1.736  -3.301
  569    HA   GLN  63           HA       GLN  63   0.483  -0.368  -3.761
  570   1HB   GLN  63          2HB       GLN  63   0.452  -1.154  -1.418
  571   2HB   GLN  63          1HB       GLN  63   1.965  -0.315  -1.139
  572   1HG   GLN  63          2HG       GLN  63   0.900   1.832  -1.673
  573   2HG   GLN  63          1HG       GLN  63  -0.630   1.007  -1.928
  574   1HE2  GLN  63          1HE2      GLN  63  -1.780   0.284  -0.178
  575   2HE2  GLN  63          2HE2      GLN  63  -1.382   0.779   1.433
  576    QB   GLN  63           QB       GLN  63   1.208  -0.734  -1.278
  577    QG   GLN  63           QG       GLN  63   0.135   1.420  -1.800
  578    QE   GLN  63           QE2      GLN  63  -1.581   0.531   0.628
  579    H    TRP  64           H        TRP  64   0.767   1.789  -4.217
  580    HA   TRP  64           HA       TRP  64   3.329   2.809  -3.580
  581   1HB   TRP  64          2HB       TRP  64   3.918   3.546  -5.714
  582   2HB   TRP  64          1HB       TRP  64   3.255   1.904  -5.964
  583    HD1  TRP  64           HD       TRP  64   3.416   5.154  -7.392
  584    HE1  TRP  64          1HE       TRP  64   1.568   5.550  -9.042
  585    HE3  TRP  64          3HE       TRP  64   0.385   1.325  -6.041
  586    HZ2  TRP  64          2HZ       TRP  64  -0.940   4.382  -9.727
  587    HZ3  TRP  64          3HZ       TRP  64  -1.728   1.047  -7.187
  588    HH2  TRP  64           HH       TRP  64  -2.378   2.535  -9.026
  589    QB   TRP  64           QB       TRP  64   3.587   2.725  -5.839
  590    H    LEU  65           H        LEU  65   3.273   5.160  -3.638
  591    HA   LEU  65           HA       LEU  65   0.616   6.301  -3.678
  592   1HB   LEU  65          2HB       LEU  65   1.289   7.615  -1.583
  593   2HB   LEU  65          1HB       LEU  65   0.679   5.992  -1.397
  594    HG   LEU  65           HG       LEU  65   3.611   6.320  -1.593
  595   1HD1  LEU  65          1HD1      LEU  65   1.955   6.965   0.853
  596   2HD1  LEU  65          3HD1      LEU  65   3.711   6.798   0.832
  597   3HD1  LEU  65          2HD1      LEU  65   2.945   8.111  -0.065
  598   1HD2  LEU  65          1HD2      LEU  65   2.611   4.099  -1.370
  599   2HD2  LEU  65          3HD2      LEU  65   3.567   4.499   0.057
  600   3HD2  LEU  65          2HD2      LEU  65   1.810   4.596   0.121
  601    MD1  LEU  65           QD1      LEU  65   2.871   7.291   0.540
  602    MD2  LEU  65           QD2      LEU  65   2.662   4.398  -0.397
  603    QB   LEU  65           QB       LEU  65   0.984   6.803  -1.490
  604    QD   LEU  65           QQD      LEU  65   2.767   5.845   0.071
  605    H    GLU  66           H        GLU  66   0.483   8.344  -4.196
  606    HA   GLU  66           HA       GLU  66   2.839   9.682  -5.317
  607   1HB   GLU  66          2HB       GLU  66  -0.053  10.533  -5.430
  608   2HB   GLU  66          1HB       GLU  66   1.275  11.006  -6.459
  609   1HG   GLU  66          2HG       GLU  66   1.220   8.919  -7.612
  610   2HG   GLU  66          1HG       GLU  66   0.006   8.288  -6.488
  611    QB   GLU  66           QB       GLU  66   0.611  10.770  -5.944
  612    QG   GLU  66           QG       GLU  66   0.613   8.604  -7.050
  613    H    GLY  67           H        GLY  67   3.664  11.251  -3.927
  614   1HA   GLY  67          1HA       GLY  67   2.678  11.989  -1.502
  615   2HA   GLY  67          2HA       GLY  67   1.855  13.033  -2.660
  616    QA   GLY  67           QA       GLY  67   2.267  12.511  -2.081
  617    H    HIS  68           H        HIS  68   3.253  14.556  -1.161
  618    HA   HIS  68           HA       HIS  68   5.557  15.417  -2.611
  619   1HB   HIS  68          2HB       HIS  68   4.325  17.087  -1.433
  620   2HB   HIS  68          1HB       HIS  68   4.402  16.252   0.081
  621    HD1  HIS  68          1HD       HIS  68   6.409  16.690   1.559
  622    HD2  HIS  68          2HD       HIS  68   6.397  18.387  -2.114
  623    HE1  HIS  68          1HE       HIS  68   8.496  18.044   1.590
  624    HE2  HIS  68          2HE       HIS  68   8.314  19.421  -0.548
  625    QB   HIS  68           QB       HIS  68   4.363  16.669  -0.676
  626    HA   PRO  69           HA       PRO  69   8.607  12.369  -1.580
  627   1HB   PRO  69          2HB       PRO  69  10.561  14.288  -0.750
  628   2HB   PRO  69          1HB       PRO  69  10.485  13.385  -2.263
  629   1HG   PRO  69          2HG       PRO  69   9.508  16.113  -1.634
  630   2HG   PRO  69          1HG       PRO  69  10.038  15.441  -3.194
  631   1HD   PRO  69          2HD       PRO  69   7.489  15.940  -2.731
  632   2HD   PRO  69          1HD       PRO  69   7.950  14.442  -3.570
  633    QB   PRO  69           QB       PRO  69  10.523  13.836  -1.507
  634    QG   PRO  69           QG       PRO  69   9.773  15.777  -2.414
  635    QD   PRO  69           QD       PRO  69   7.720  15.191  -3.150
  636    H    ALA  70           H        ALA  70   8.739  14.989   0.824
  637    HA   ALA  70           HA       ALA  70   9.667  13.116   2.750
  638   1HB   ALA  70          2HB       ALA  70  10.390  15.407   2.924
  639   2HB   ALA  70          3HB       ALA  70   9.486  14.890   4.372
  640   3HB   ALA  70          1HB       ALA  70   8.681  15.889   3.161
  641    MB   ALA  70           QB       ALA  70   9.519  15.396   3.486
  642    H    ALA  71           H        ALA  71   6.598  14.110   1.907
  643    HA   ALA  71           HA       ALA  71   5.289  13.285   4.273
  644   1HB   ALA  71          3HB       ALA  71   4.427  13.296   1.465
  645   2HB   ALA  71          2HB       ALA  71   3.317  13.172   2.843
  646   3HB   ALA  71          1HB       ALA  71   4.240  14.688   2.553
  647    MB   ALA  71           QB       ALA  71   3.995  13.719   2.287
  648    H    VAL  72           H        VAL  72   6.078  11.991   1.182
  649    HA   VAL  72           HA       VAL  72   5.010   9.390   1.288
  650    HB   VAL  72           HB       VAL  72   7.669   9.944  -0.014
  651   1HG1  VAL  72          2HG1      VAL  72   5.254   8.515  -0.799
  652   2HG1  VAL  72          1HG1      VAL  72   6.753   8.601  -1.766
  653   3HG1  VAL  72          3HG1      VAL  72   6.746   7.756  -0.194
  654   1HG2  VAL  72          1HG2      VAL  72   5.045  10.936  -1.042
  655   2HG2  VAL  72          3HG2      VAL  72   6.476  11.865  -0.519
  656   3HG2  VAL  72          2HG2      VAL  72   6.568  10.818  -1.957
  657    MG1  VAL  72           QG1      VAL  72   6.251   8.291  -0.919
  658    MG2  VAL  72           QG2      VAL  72   6.030  11.206  -1.172
  659    QG   VAL  72           QQG      VAL  72   6.141   9.748  -1.046
  660    H    ALA  73           H        ALA  73   8.123  10.740   2.176
  661    HA   ALA  73           HA       ALA  73   9.163   8.309   3.083
  662   1HB   ALA  73          3HB       ALA  73  10.021  11.062   3.770
  663   2HB   ALA  73          2HB       ALA  73  10.875   9.488   4.042
  664   3HB   ALA  73          1HB       ALA  73  10.575  10.062   2.386
  665    MB   ALA  73           QB       ALA  73  10.490  10.204   3.399
  666    H    GLU  74           H        GLU  74   7.552  10.942   4.768
  667    HA   GLU  74           HA       GLU  74   7.788   9.970   7.429
  668   1HB   GLU  74          2HB       GLU  74   6.813  12.177   6.920
  669   2HB   GLU  74          1HB       GLU  74   5.490  11.398   6.065
  670   1HG   GLU  74          2HG       GLU  74   4.800  10.343   8.188
  671   2HG   GLU  74          1HG       GLU  74   6.054  11.262   9.011
  672    QB   GLU  74           QB       GLU  74   6.151  11.788   6.492
  673    QG   GLU  74           QG       GLU  74   5.427  10.803   8.599
  674    H    VAL  75           H        VAL  75   5.481   9.353   4.939
  675    HA   VAL  75           HA       VAL  75   4.085   7.350   6.219
  676    HB   VAL  75           HB       VAL  75   4.534   8.062   3.322
  677   1HG1  VAL  75          1HG1      VAL  75   4.221   5.652   3.407
  678   2HG1  VAL  75          3HG1      VAL  75   2.750   5.869   4.365
  679   3HG1  VAL  75          2HG1      VAL  75   2.829   6.487   2.707
  680   1HG2  VAL  75          3HG2      VAL  75   2.159   8.179   5.160
  681   2HG2  VAL  75          2HG2      VAL  75   3.154   9.533   4.626
  682   3HG2  VAL  75          1HG2      VAL  75   2.169   8.651   3.461
  683    MG1  VAL  75           QG1      VAL  75   3.266   6.003   3.493
  684    MG2  VAL  75           QG2      VAL  75   2.494   8.787   4.415
  685    QG   VAL  75           QQG      VAL  75   2.880   7.395   3.954
  686    H    MET  76           H        MET  76   6.905   6.999   3.885
  687    HA   MET  76           HA       MET  76   7.318   4.341   4.123
  688   1HB   MET  76          2HB       MET  76   9.393   6.491   4.065
  689   2HB   MET  76          1HB       MET  76   9.722   4.850   3.657
  690   1HG   MET  76          2HG       MET  76   7.697   6.436   2.204
  691   2HG   MET  76          1HG       MET  76   9.383   6.502   1.712
  692   1HE   MET  76          3HE       MET  76   6.189   4.563   2.130
  693   2HE   MET  76          2HE       MET  76   6.348   3.089   1.141
  694   3HE   MET  76          1HE       MET  76   7.177   3.224   2.710
  695    QB   MET  76           QB       MET  76   9.557   5.671   3.861
  696    QG   MET  76           QG       MET  76   8.540   6.469   1.958
  697    ME   MET  76           QE       MET  76   6.571   3.625   1.994
  698    H    SER  77           H        SER  77   8.678   6.811   6.265
  699    HA   SER  77           HA       SER  77  10.127   5.134   7.934
  700   1HB   SER  77          2HB       SER  77   8.610   7.613   8.780
  701   2HB   SER  77          1HB       SER  77  10.035   6.937   9.577
  702    HG   SER  77           HG       SER  77   9.866   8.104   6.987
  703    QB   SER  77           QB       SER  77   9.323   7.275   9.179
  704    H    HIS  78           H        HIS  78   6.714   6.002   8.115
  705    HA   HIS  78           HA       HIS  78   6.255   4.422  10.434
  706   1HB   HIS  78          2HB       HIS  78   4.342   5.620   8.438
  707   2HB   HIS  78          1HB       HIS  78   3.781   4.581   9.736
  708    HD1  HIS  78          1HD       HIS  78   5.255   7.995   9.121
  709    HD2  HIS  78          2HD       HIS  78   3.770   5.744  12.293
  710    HE1  HIS  78          1HE       HIS  78   4.900   9.613  10.992
  711    HE2  HIS  78          2HE       HIS  78   4.373   8.172  12.955
  712    QB   HIS  78           QB       HIS  78   4.061   5.100   9.087
  713    H    ILE  79           H        ILE  79   5.763   3.741   6.975
  714    HA   ILE  79           HA       ILE  79   4.568   1.167   7.516
  715    HB   ILE  79           HB       ILE  79   5.722   1.788   4.808
  716   1HG1  ILE  79          2HG1      ILE  79   3.091   2.818   5.862
  717   2HG1  ILE  79          1HG1      ILE  79   4.496   3.791   5.415
  718   1HG2  ILE  79          1HG2      ILE  79   4.736  -0.377   5.295
  719   2HG2  ILE  79          3HG2      ILE  79   3.233   0.399   5.778
  720   3HG2  ILE  79          2HG2      ILE  79   3.771   0.500   4.100
  721   1HD1  ILE  79          3HD1      ILE  79   2.937   2.038   3.522
  722   2HD1  ILE  79          2HD1      ILE  79   2.796   3.793   3.641
  723   3HD1  ILE  79          1HD1      ILE  79   4.311   3.062   3.103
  724    MG   ILE  79           QG2      ILE  79   3.913   0.174   5.058
  725    MD   ILE  79           QD1      ILE  79   3.348   2.964   3.422
  726    QG   ILE  79           QG1      ILE  79   3.793   3.305   5.638
  727    H    GLN  80           H        GLN  80   7.856   2.246   6.952
  728    HA   GLN  80           HA       GLN  80   8.769  -0.379   6.236
  729   1HB   GLN  80          2HB       GLN  80  10.402   2.034   7.032
  730   2HB   GLN  80          1HB       GLN  80  11.051   0.550   6.353
  731   1HG   GLN  80          2HG       GLN  80   9.294   2.593   4.969
  732   2HG   GLN  80          1HG       GLN  80  10.932   2.121   4.541
  733   1HE2  GLN  80          1HE2      GLN  80   7.663   1.518   4.371
  734   2HE2  GLN  80          2HE2      GLN  80   7.750   0.267   3.181
  735    QB   GLN  80           QB       GLN  80  10.727   1.292   6.693
  736    QG   GLN  80           QG       GLN  80  10.113   2.357   4.755
  737    QE   GLN  80           QE2      GLN  80   7.707   0.893   3.776
  738    H    ARG  81           H        ARG  81   8.141   1.236   9.116
  739    HA   ARG  81           HA       ARG  81   9.627  -0.763  10.629
  740   1HB   ARG  81          2HB       ARG  81   8.160   1.726  11.533
  741   2HB   ARG  81          1HB       ARG  81   9.103   0.673  12.574
  742   1HG   ARG  81          2HG       ARG  81  10.132   2.418  10.352
  743   2HG   ARG  81          1HG       ARG  81  10.345   2.595  12.100
  744   1HD   ARG  81          2HD       ARG  81  11.696   0.592  12.195
  745   2HD   ARG  81          1HD       ARG  81  11.392   0.266  10.491
  746    HE   ARG  81           HE       ARG  81  12.511   2.800  10.721
  747   1HH1  ARG  81          1HH1      ARG  81  13.477  -0.601  11.108
  748   2HH1  ARG  81          2HH1      ARG  81  15.105  -0.314  10.755
  749   1HH2  ARG  81          1HH2      ARG  81  14.784   3.177  10.242
  750   2HH2  ARG  81          2HH2      ARG  81  15.870   1.875  10.265
  751    QB   ARG  81           QB       ARG  81   8.632   1.200  12.053
  752    QG   ARG  81           QG       ARG  81  10.238   2.506  11.226
  753    QD   ARG  81           QD       ARG  81  11.544   0.429  11.343
  754    QH1  ARG  81           QH1      ARG  81  14.291  -0.458  10.932
  755    QH2  ARG  81           QH2      ARG  81  15.327   2.526  10.254
  756    H    ASP  82           H        ASP  82   7.276  -1.312   8.977
  757    HA   ASP  82           HA       ASP  82   5.069  -1.681  10.758
  758   1HB   ASP  82          2HB       ASP  82   4.931  -1.418   8.117
  759   2HB   ASP  82          1HB       ASP  82   5.413  -3.063   8.156
  760    QB   ASP  82           QB       ASP  82   5.172  -2.241   8.137
  761    H    ARG  83           H        ARG  83   4.610  -4.407   9.378
  762    HA   ARG  83           HA       ARG  83   5.903  -6.393  10.727
  763   1HB   ARG  83          2HB       ARG  83   4.674  -6.435  12.925
  764   2HB   ARG  83          1HB       ARG  83   5.871  -5.158  12.768
  765   1HG   ARG  83          2HG       ARG  83   4.184  -3.886  13.647
  766   2HG   ARG  83          1HG       ARG  83   3.739  -3.812  11.941
  767   1HD   ARG  83          2HD       ARG  83   1.804  -4.373  13.447
  768   2HD   ARG  83          1HD       ARG  83   2.137  -5.606  12.227
  769    HE   ARG  83           HE       ARG  83   3.552  -6.129  14.615
  770   1HH1  ARG  83          1HH1      ARG  83   0.229  -6.375  13.352
  771   2HH1  ARG  83          2HH1      ARG  83  -0.132  -7.716  14.325
  772   1HH2  ARG  83          1HH2      ARG  83   3.001  -7.958  15.891
  773   2HH2  ARG  83          2HH2      ARG  83   1.434  -8.619  15.782
  774    QB   ARG  83           QB       ARG  83   5.273  -5.797  12.847
  775    QG   ARG  83           QG       ARG  83   3.961  -3.849  12.794
  776    QD   ARG  83           QD       ARG  83   1.971  -4.990  12.837
  777    QH1  ARG  83           QH1      ARG  83   0.049  -7.046  13.838
  778    QH2  ARG  83           QH2      ARG  83   2.218  -8.288  15.837
  779    H    ARG  84           H        ARG  84   2.857  -4.894   9.746
  780    HA   ARG  84           HA       ARG  84   1.125  -7.143  10.028
  781   1HB   ARG  84          2HB       ARG  84   0.942  -4.996   7.894
  782   2HB   ARG  84          1HB       ARG  84  -0.365  -5.908   8.588
  783   1HG   ARG  84          2HG       ARG  84   1.180  -3.802  10.087
  784   2HG   ARG  84          1HG       ARG  84  -0.269  -3.473   9.157
  785   1HD   ARG  84          2HD       ARG  84  -1.477  -5.094  10.626
  786   2HD   ARG  84          1HD       ARG  84  -0.020  -5.189  11.623
  787    HE   ARG  84           HE       ARG  84  -0.567  -2.514  11.314
  788   1HH1  ARG  84          1HH1      ARG  84  -2.270  -5.261  12.838
  789   2HH1  ARG  84          2HH1      ARG  84  -3.125  -4.262  13.911
  790   1HH2  ARG  84          1HH2      ARG  84  -1.806  -1.212  12.742
  791   2HH2  ARG  84          2HH2      ARG  84  -2.843  -1.915  13.889
  792    QB   ARG  84           QB       ARG  84   0.288  -5.452   8.241
  793    QG   ARG  84           QG       ARG  84   0.456  -3.638   9.622
  794    QD   ARG  84           QD       ARG  84  -0.749  -5.142  11.125
  795    QH1  ARG  84           QH1      ARG  84  -2.698  -4.761  13.374
  796    QH2  ARG  84           QH2      ARG  84  -2.325  -1.564  13.315
  797    H    HIS  85           H        HIS  85   2.877  -5.619   7.473
  798    HA   HIS  85           HA       HIS  85   2.526  -7.829   5.690
  799   1HB   HIS  85          2HB       HIS  85   3.352  -6.376   3.899
  800   2HB   HIS  85          1HB       HIS  85   1.981  -5.685   4.744
  801    HD1  HIS  85          1HD       HIS  85   3.113  -3.655   3.180
  802    HD2  HIS  85          2HD       HIS  85   5.002  -4.384   6.846
  803    HE1  HIS  85          1HE       HIS  85   4.553  -1.693   3.803
  804    HE2  HIS  85          2HE       HIS  85   5.257  -2.122   6.075
  805    QB   HIS  85           QB       HIS  85   2.667  -6.030   4.322
  806    H    SER  86           H        SER  86   4.470  -8.012   4.170
  807    HA   SER  86           HA       SER  86   6.547  -8.697   5.959
  808   1HB   SER  86          2HB       SER  86   5.076  -9.878   4.011
  809   2HB   SER  86          1HB       SER  86   6.730 -10.617   4.094
  810    HG   SER  86           HG       SER  86   5.773 -10.336   6.526
  811    QB   SER  86           QB       SER  86   5.903 -10.248   4.053
  812    H    ASN  87           H        ASN  87   8.297  -7.755   5.611
  813    HA   ASN  87           HA       ASN  87  10.233  -7.042   4.902
  814   1HB   ASN  87          2HB       ASN  87   9.737  -8.017   2.071
  815   2HB   ASN  87          1HB       ASN  87  11.227  -7.472   2.749
  816   1HD2  ASN  87          1HD2      ASN  87   8.987 -10.128   2.739
  817   2HD2  ASN  87          2HD2      ASN  87  10.035 -11.227   3.553
  818    QB   ASN  87           QB       ASN  87  10.482  -7.744   2.410
  819    QD   ASN  87           QD2      ASN  87   9.511 -10.677   3.146
  820    H    VAL  88           H        VAL  88   7.779  -6.013   3.087
  821    HA   VAL  88           HA       VAL  88   7.631  -4.364   1.594
  822    HB   VAL  88           HB       VAL  88   6.478  -3.701   3.519
  823   1HG1  VAL  88          3HG1      VAL  88   8.173  -3.757   5.108
  824   2HG1  VAL  88          2HG1      VAL  88   8.773  -2.144   4.463
  825   3HG1  VAL  88          1HG1      VAL  88   7.113  -2.318   5.088
  826   1HG2  VAL  88          1HG2      VAL  88   7.931  -1.428   2.247
  827   2HG2  VAL  88          3HG2      VAL  88   6.432  -2.162   1.668
  828   3HG2  VAL  88          2HG2      VAL  88   6.444  -1.269   3.195
  829    MG1  VAL  88           QG1      VAL  88   8.020  -2.740   4.886
  830    MG2  VAL  88           QG2      VAL  88   6.936  -1.619   2.370
  831    QG   VAL  88           QQG      VAL  88   7.478  -2.179   3.628
  832    H    GLU  89           H        GLU  89   8.937  -4.188   0.037
  833    HA   GLU  89           HA       GLU  89  11.237  -2.525   0.603
  834   1HB   GLU  89          2HB       GLU  89  11.576  -5.032   0.246
  835   2HB   GLU  89          1HB       GLU  89  11.265  -4.665  -1.437
  836   1HG   GLU  89          2HG       GLU  89  13.523  -4.805  -0.699
  837   2HG   GLU  89          1HG       GLU  89  13.207  -3.301  -1.587
  838    QB   GLU  89           QB       GLU  89  11.420  -4.848  -0.596
  839    QG   GLU  89           QG       GLU  89  13.365  -4.053  -1.143
  840    H    ILE  90           H        ILE  90  10.402  -0.875  -0.024
  841    HA   ILE  90           HA       ILE  90   8.949   0.153  -2.096
  842    HB   ILE  90           HB       ILE  90  11.575   1.454  -1.508
  843   1HG1  ILE  90          2HG1      ILE  90  10.967   0.681   0.668
  844   2HG1  ILE  90          1HG1      ILE  90  10.666   2.410   0.587
  845   1HG2  ILE  90          1HG2      ILE  90   9.929   2.715  -2.946
  846   2HG2  ILE  90          3HG2      ILE  90   8.751   2.576  -1.626
  847   3HG2  ILE  90          2HG2      ILE  90  10.173   3.526  -1.391
  848   1HD1  ILE  90          1HD1      ILE  90   8.314   1.994   0.223
  849   2HD1  ILE  90          3HD1      ILE  90   8.614   0.259   0.304
  850   3HD1  ILE  90          2HD1      ILE  90   8.877   1.264   1.737
  851    MG   ILE  90           QG2      ILE  90   9.618   2.939  -1.987
  852    MD   ILE  90           QD1      ILE  90   8.602   1.173   0.755
  853    QG   ILE  90           QG1      ILE  90  10.817   1.546   0.627
  854    H    LEU  91           H        LEU  91  12.341   0.190  -2.473
  855    HA   LEU  91           HA       LEU  91  13.734  -0.347  -4.131
  856   1HB   LEU  91          2HB       LEU  91  11.424  -1.893  -5.308
  857   2HB   LEU  91          1HB       LEU  91  13.042  -1.889  -5.971
  858    HG   LEU  91           HG       LEU  91  12.261  -2.966  -3.251
  859   1HD1  LEU  91          2HD1      LEU  91  13.047  -4.381  -5.787
  860   2HD1  LEU  91          1HD1      LEU  91  12.761  -5.138  -4.219
  861   3HD1  LEU  91          3HD1      LEU  91  11.435  -4.344  -5.068
  862   1HD2  LEU  91          3HD2      LEU  91  14.913  -2.936  -4.713
  863   2HD2  LEU  91          2HD2      LEU  91  14.521  -2.086  -3.220
  864   3HD2  LEU  91          1HD2      LEU  91  14.577  -3.842  -3.235
  865    MD1  LEU  91           QD1      LEU  91  12.415  -4.621  -5.025
  866    MD2  LEU  91           QD2      LEU  91  14.670  -2.955  -3.722
  867    QB   LEU  91           QB       LEU  91  12.233  -1.891  -5.639
  868    QD   LEU  91           QQD      LEU  91  13.542  -3.788  -4.374
  869    H    ALA  92           H        ALA  92  10.711   1.116  -4.890
  870    HA   ALA  92           HA       ALA  92  12.113   2.529  -7.049
  871   1HB   ALA  92          1HB       ALA  92  10.677   0.959  -8.127
  872   2HB   ALA  92          2HB       ALA  92   9.954   2.577  -8.299
  873   3HB   ALA  92          3HB       ALA  92   9.333   1.441  -7.103
  874    MB   ALA  92           QB       ALA  92   9.988   1.659  -7.843
  875    H    GLU  93           H        GLU  93  12.319   4.507  -6.386
  876    HA   GLU  93           HA       GLU  93   9.918   5.874  -5.430
  877   1HB   GLU  93          2HB       GLU  93  12.781   6.453  -4.490
  878   2HB   GLU  93          1HB       GLU  93  11.304   7.310  -4.038
  879   1HG   GLU  93          2HG       GLU  93  10.434   5.569  -2.902
  880   2HG   GLU  93          1HG       GLU  93  11.682   4.443  -3.464
  881    QB   GLU  93           QB       GLU  93  12.042   6.881  -4.264
  882    QG   GLU  93           QG       GLU  93  11.058   5.006  -3.183
  883    H    GLU  94           H        GLU  94   9.292   7.179  -6.958
  884    HA   GLU  94           HA       GLU  94  11.293   8.318  -8.782
  885   1HB   GLU  94          2HB       GLU  94   9.549   7.988 -10.581
  886   2HB   GLU  94          1HB       GLU  94  10.289   6.519  -9.962
  887   1HG   GLU  94          2HG       GLU  94   8.267   6.334  -8.428
  888   2HG   GLU  94          1HG       GLU  94   7.542   7.594  -9.430
  889    QB   GLU  94           QB       GLU  94   9.919   7.253 -10.272
  890    QG   GLU  94           QG       GLU  94   7.905   6.964  -8.929
  891    H    SER  95           H        SER  95  11.066  10.424  -9.291
  892    HA   SER  95           HA       SER  95   9.337  12.031  -7.704
  893   1HB   SER  95          2HB       SER  95  11.115  12.823  -9.997
  894   2HB   SER  95          1HB       SER  95  10.592  13.821  -8.635
  895    HG   SER  95           HG       SER  95  12.229  13.084  -7.558
  896    QB   SER  95           QB       SER  95  10.853  13.322  -9.316
  897    H    ILE  96           H        ILE  96   7.412  12.750  -8.219
  898    HA   ILE  96           HA       ILE  96   6.490  12.617 -11.053
  899    HB   ILE  96           HB       ILE  96   4.313  12.151 -10.287
  900   1HG1  ILE  96          2HG1      ILE  96   5.518  11.259  -7.689
  901   2HG1  ILE  96          1HG1      ILE  96   4.880  12.878  -7.877
  902   1HG2  ILE  96          1HG2      ILE  96   5.727  10.410 -11.211
  903   2HG2  ILE  96          3HG2      ILE  96   6.416  10.075  -9.625
  904   3HG2  ILE  96          2HG2      ILE  96   4.719   9.707  -9.942
  905   1HD1  ILE  96          1HD1      ILE  96   3.262  10.414  -8.359
  906   2HD1  ILE  96          3HD1      ILE  96   3.444  11.207  -6.797
  907   3HD1  ILE  96          2HD1      ILE  96   2.739  12.112  -8.114
  908    MG   ILE  96           QG2      ILE  96   5.621  10.064 -10.259
  909    MD   ILE  96           QD1      ILE  96   3.148  11.244  -7.757
  910    QG   ILE  96           QG1      ILE  96   5.199  12.068  -7.783
  911    H    ALA  97           H        ALA  97   4.375  13.693 -11.416
  912    HA   ALA  97           HA       ALA  97   4.313  16.276 -10.068
  913   1HB   ALA  97          2HB       ALA  97   4.632  16.433 -12.481
  914   2HB   ALA  97          3HB       ALA  97   3.019  17.045 -11.959
  915   3HB   ALA  97          1HB       ALA  97   3.156  15.438 -12.653
  916    MB   ALA  97           QB       ALA  97   3.602  16.305 -12.364
  917    H    LYS  98           H        LYS  98   3.155  13.550 -10.006
  918    HA   LYS  98           HA       LYS  98   1.363  12.404  -9.251
  919   1HB   LYS  98          2HB       LYS  98   2.065  14.091  -7.639
  920   2HB   LYS  98          1HB       LYS  98   0.694  15.029  -8.160
  921   1HG   LYS  98          2HG       LYS  98  -0.018  12.345  -7.515
  922   2HG   LYS  98          1HG       LYS  98   0.976  13.123  -6.310
  923   1HD   LYS  98          2HD       LYS  98  -0.937  14.996  -7.047
  924   2HD   LYS  98          1HD       LYS  98  -1.763  13.485  -6.557
  925   1HE   LYS  98          2HE       LYS  98  -0.252  13.374  -4.742
  926   2HE   LYS  98          1HE       LYS  98   0.363  14.975  -5.204
  927   1HZ   LYS  98          3HZ       LYS  98  -2.517  14.517  -4.526
  928   2HZ   LYS  98          2HZ       LYS  98  -1.419  15.061  -3.367
  929   3HZ   LYS  98          1HZ       LYS  98  -1.736  15.981  -4.750
  930    QB   LYS  98           QB       LYS  98   1.379  14.560  -7.899
  931    QD   LYS  98           QD       LYS  98  -1.350  14.240  -6.802
  932    QG   LYS  98           QG       LYS  98   0.479  12.734  -6.912
  933    QE   LYS  98           QE       LYS  98   0.055  14.175  -4.973
  934    QZ   LYS  98           QZ       LYS  98  -1.891  15.186  -4.215
  935    H    ARG  99           H        ARG  99  -1.144  13.011  -8.816
  936    HA   ARG  99           HA       ARG  99  -3.196  13.465  -9.613
  937   1HB   ARG  99          2HB       ARG  99  -1.727  15.448 -10.906
  938   2HB   ARG  99          1HB       ARG  99  -2.391  14.561 -12.245
  939   1HG   ARG  99          2HG       ARG  99  -4.039  15.785 -10.025
  940   2HG   ARG  99          1HG       ARG  99  -3.763  16.505 -11.607
  941   1HD   ARG  99          2HD       ARG  99  -5.156  13.872 -11.092
  942   2HD   ARG  99          1HD       ARG  99  -5.957  15.402 -11.443
  943    HE   ARG  99           HE       ARG  99  -4.039  14.350 -13.368
  944   1HH1  ARG  99          1HH1      ARG  99  -7.438  15.032 -12.586
  945   2HH1  ARG  99          2HH1      ARG  99  -7.979  14.772 -14.164
  946   1HH2  ARG  99          1HH2      ARG  99  -4.794  14.022 -15.504
  947   2HH2  ARG  99          2HH2      ARG  99  -6.460  14.176 -15.878
  948    QB   ARG  99           QB       ARG  99  -2.059  15.005 -11.575
  949    QG   ARG  99           QG       ARG  99  -3.901  16.145 -10.816
  950    QD   ARG  99           QD       ARG  99  -5.557  14.637 -11.268
  951    QH1  ARG  99           QH1      ARG  99  -7.709  14.902 -13.375
  952    QH2  ARG  99           QH2      ARG  99  -5.627  14.099 -15.691
  953    H    ARG 100           H        ARG 100  -1.865  11.093  -9.819
  954    HA   ARG 100           HA       ARG 100  -2.731  10.040 -12.378
  955   1HB   ARG 100          2HB       ARG 100  -1.337   8.703 -10.062
  956   2HB   ARG 100          1HB       ARG 100  -1.660   7.971 -11.629
  957   1HG   ARG 100          2HG       ARG 100  -0.204   9.547 -12.717
  958   2HG   ARG 100          1HG       ARG 100  -0.002  10.420 -11.190
  959   1HD   ARG 100          2HD       ARG 100   1.947   8.961 -11.681
  960   2HD   ARG 100          1HD       ARG 100   1.104   8.460 -10.217
  961    HE   ARG 100           HE       ARG 100   0.025   7.027 -12.337
  962   1HH1  ARG 100          1HH1      ARG 100   3.162   7.231 -10.681
  963   2HH1  ARG 100          2HH1      ARG 100   3.601   5.625 -11.066
  964   1HH2  ARG 100          1HH2      ARG 100   0.627   4.831 -12.803
  965   2HH2  ARG 100          2HH2      ARG 100   2.108   4.203 -12.266
  966    QB   ARG 100           QB       ARG 100  -1.498   8.337 -10.845
  967    QG   ARG 100           QG       ARG 100  -0.103   9.983 -11.954
  968    QD   ARG 100           QD       ARG 100   1.525   8.711 -10.949
  969    QH1  ARG 100           QH1      ARG 100   3.381   6.428 -10.874
  970    QH2  ARG 100           QH2      ARG 100   1.368   4.517 -12.534
  971    H    PHE 101           H        PHE 101  -3.196   9.188  -8.889
  972    HA   PHE 101           HA       PHE 101  -5.728   8.046  -9.780
  973   1HB   PHE 101          2HB       PHE 101  -3.929   7.217  -7.547
  974   2HB   PHE 101          1HB       PHE 101  -5.640   6.820  -7.469
  975    HD1  PHE 101          1HD       PHE 101  -6.289   4.796  -8.289
  976    HD2  PHE 101          2HD       PHE 101  -2.822   6.637  -9.923
  977    HE1  PHE 101          1HE       PHE 101  -5.940   2.843  -9.734
  978    HE2  PHE 101          2HE       PHE 101  -2.468   4.678 -11.369
  979    HZ   PHE 101           HZ       PHE 101  -4.026   2.785 -11.280
  980    QB   PHE 101           QB       PHE 101  -4.784   7.019  -7.508
  981    QD   PHE 101           QD       PHE 101  -4.556   5.716  -9.106
  982    QE   PHE 101           QE       PHE 101  -4.204   3.760 -10.552
  983    QR   PHE 101           QR       PHE 101  -4.309   4.348 -10.119
  984    H    ALA 102           H        ALA 102  -4.566  10.453  -8.138
  985    HA   ALA 102           HA       ALA 102  -5.414  12.254  -6.980
  986   1HB   ALA 102          1HB       ALA 102  -6.885  12.337  -8.960
  987   2HB   ALA 102          2HB       ALA 102  -7.620  13.039  -7.521
  988   3HB   ALA 102          3HB       ALA 102  -8.100  11.428  -8.065
  989    MB   ALA 102           QB       ALA 102  -7.535  12.268  -8.182
  990    H    GLY 103           H        GLY 103  -6.536   9.265  -6.033
  991   1HA   GLY 103          1HA       GLY 103  -8.050   9.330  -3.857
  992   2HA   GLY 103          2HA       GLY 103  -6.624  10.199  -3.268
  993    QA   GLY 103           QA       GLY 103  -7.337   9.765  -3.562
  994    H    TRP 104           H        TRP 104  -6.422   8.178  -1.770
  995    HA   TRP 104           HA       TRP 104  -4.953   6.171  -3.246
  996   1HB   TRP 104          2HB       TRP 104  -3.774   6.929  -1.264
  997   2HB   TRP 104          1HB       TRP 104  -5.192   6.722  -0.270
  998    HD1  TRP 104           HD       TRP 104  -2.109   4.822  -1.442
  999    HE1  TRP 104          1HE       TRP 104  -2.159   2.491  -0.387
 1000    HE3  TRP 104          3HE       TRP 104  -6.849   4.848   0.479
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.004   0.893   1.074
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.642   3.112   1.593
 1003    HH2  TRP 104           HH       TRP 104  -6.359   1.112   1.951
 1004    QB   TRP 104           QB       TRP 104  -4.483   6.825  -0.767
 1005    H    HIS 105           H        HIS 105  -5.498   4.048  -3.415
 1006    HA   HIS 105           HA       HIS 105  -8.322   3.479  -2.806
 1007   1HB   HIS 105          2HB       HIS 105  -6.663   3.013  -5.242
 1008   2HB   HIS 105          1HB       HIS 105  -8.234   2.215  -5.027
 1009    HD1  HIS 105          1HD       HIS 105  -6.579   5.451  -5.903
 1010    HD2  HIS 105          2HD       HIS 105 -10.442   4.030  -5.311
 1011    HE1  HIS 105          1HE       HIS 105  -8.101   7.193  -6.885
 1012    HE2  HIS 105          2HE       HIS 105 -10.414   6.412  -6.349
 1013    QB   HIS 105           QB       HIS 105  -7.448   2.614  -5.135
 1014    H    MET 106           H        MET 106  -8.778   1.155  -2.588
 1015    HA   MET 106           HA       MET 106  -6.428  -0.534  -2.134
 1016   1HB   MET 106          2HB       MET 106  -7.506   0.590   0.007
 1017   2HB   MET 106          1HB       MET 106  -8.744  -0.630  -0.222
 1018   1HG   MET 106          2HG       MET 106  -5.802  -1.152   0.264
 1019   2HG   MET 106          1HG       MET 106  -7.082  -1.294   1.456
 1020   1HE   MET 106          1HE       MET 106  -4.985  -3.629   1.112
 1021   2HE   MET 106          3HE       MET 106  -6.394  -3.742   2.172
 1022   3HE   MET 106          2HE       MET 106  -6.015  -5.032   1.015
 1023    QB   MET 106           QB       MET 106  -8.125  -0.020  -0.108
 1024    QG   MET 106           QG       MET 106  -6.442  -1.223   0.860
 1025    ME   MET 106           QE       MET 106  -5.798  -4.134   1.433
 1026    H    GLN 107           H        GLN 107  -6.705  -2.438  -3.063
 1027    HA   GLN 107           HA       GLN 107  -8.672  -3.138  -4.822
 1028   1HB   GLN 107          2HB       GLN 107  -6.470  -4.120  -4.787
 1029   2HB   GLN 107          1HB       GLN 107  -6.798  -4.895  -3.251
 1030   1HG   GLN 107          2HG       GLN 107  -8.441  -6.343  -4.313
 1031   2HG   GLN 107          1HG       GLN 107  -8.179  -5.529  -5.857
 1032   1HE2  GLN 107          1HE2      GLN 107  -7.753  -8.342  -5.108
 1033   2HE2  GLN 107          2HE2      GLN 107  -6.082  -8.660  -5.409
 1034    QB   GLN 107           QB       GLN 107  -6.634  -4.508  -4.019
 1035    QG   GLN 107           QG       GLN 107  -8.310  -5.936  -5.085
 1036    QE   GLN 107           QE2      GLN 107  -6.917  -8.501  -5.259
 1037    H    LEU 108           H        LEU 108  -8.590  -3.844  -1.377
 1038    HA   LEU 108           HA       LEU 108 -10.512  -5.803  -1.058
 1039   1HB   LEU 108          2HB       LEU 108  -9.191  -4.953   0.787
 1040   2HB   LEU 108          1HB       LEU 108  -9.953  -3.387   0.669
 1041    HG   LEU 108           HG       LEU 108 -12.097  -4.422   1.385
 1042   1HD1  LEU 108          1HD1      LEU 108 -10.415  -6.877   1.832
 1043   2HD1  LEU 108          3HD1      LEU 108 -12.075  -6.646   2.384
 1044   3HD1  LEU 108          2HD1      LEU 108 -11.727  -6.694   0.660
 1045   1HD2  LEU 108          3HD2      LEU 108 -10.647  -3.312   2.993
 1046   2HD2  LEU 108          2HD2      LEU 108 -11.452  -4.697   3.732
 1047   3HD2  LEU 108          1HD2      LEU 108  -9.763  -4.816   3.246
 1048    MD1  LEU 108           QD1      LEU 108 -11.406  -6.739   1.626
 1049    MD2  LEU 108           QD2      LEU 108 -10.620  -4.275   3.324
 1050    QB   LEU 108           QB       LEU 108  -9.572  -4.170   0.728
 1051    QD   LEU 108           QQD      LEU 108 -11.013  -5.507   2.475
 1052    H    SER 109           H        SER 109 -10.932  -2.347  -1.470
 1053    HA   SER 109           HA       SER 109 -12.660  -1.000  -1.717
 1054   1HB   SER 109          2HB       SER 109 -14.111  -1.651  -3.726
 1055   2HB   SER 109          1HB       SER 109 -12.366  -1.572  -3.976
 1056    HG   SER 109           HG       SER 109 -12.329  -3.869  -3.710
 1057    QB   SER 109           QB       SER 109 -13.238  -1.611  -3.851
 1058    H    CYS 110           H        CYS 110 -14.794  -3.679  -2.405
 1059    HA   CYS 110           HA       CYS 110 -16.415  -2.926  -0.067
 1060   1HB   CYS 110          2HB       CYS 110 -18.384  -3.528  -1.553
 1061   2HB   CYS 110          1HB       CYS 110 -17.529  -2.039  -1.956
 1062    HG   CYS 110           HG       CYS 110 -17.536  -5.000  -3.674
 1063    QB   CYS 110           QB       CYS 110 -17.956  -2.783  -1.754
 1064    H    SER 111           H        SER 111 -14.483  -5.236  -1.050
 1065    HA   SER 111           HA       SER 111 -14.168  -7.375  -0.940
 1066   1HB   SER 111          2HB       SER 111 -15.211  -8.672   0.920
 1067   2HB   SER 111          1HB       SER 111 -14.328  -7.233   1.424
 1068    HG   SER 111           HG       SER 111 -16.764  -6.443   1.026
 1069    QB   SER 111           QB       SER 111 -14.769  -7.953   1.172
 1070    H    GLU 112           H        GLU 112 -14.518  -9.190  -1.957
 1071    HA   GLU 112           HA       GLU 112 -16.817  -9.102  -3.629
 1072   1HB   GLU 112          2HB       GLU 112 -14.519 -10.997  -3.693
 1073   2HB   GLU 112          1HB       GLU 112 -15.668 -10.679  -5.002
 1074   1HG   GLU 112          2HG       GLU 112 -14.205  -9.150  -5.728
 1075   2HG   GLU 112          1HG       GLU 112 -14.693  -8.229  -4.292
 1076    QB   GLU 112           QB       GLU 112 -15.093 -10.838  -4.347
 1077    QG   GLU 112           QG       GLU 112 -14.449  -8.689  -5.010
 1078    H    ALA 113           H        ALA 113 -16.775 -10.323  -0.719
 1079    HA   ALA 113           HA       ALA 113 -17.879 -12.956  -1.177
 1080   1HB   ALA 113          2HB       ALA 113 -18.184 -11.155   1.236
 1081   2HB   ALA 113          1HB       ALA 113 -18.562 -12.874   1.169
 1082   3HB   ALA 113          3HB       ALA 113 -16.893 -12.334   1.009
 1083    MB   ALA 113           QB       ALA 113 -17.880 -12.121   1.138
 1084    H    ASP 114           H        ASP 114 -18.941  -9.846  -1.527
 1085    HA   ASP 114           HA       ASP 114 -21.727 -10.120  -1.251
 1086   1HB   ASP 114          2HB       ASP 114 -20.745  -7.958  -1.282
 1087   2HB   ASP 114          1HB       ASP 114 -20.026  -8.230  -2.861
 1088    QB   ASP 114           QB       ASP 114 -20.385  -8.094  -2.072
 1089    H    MET 115           H        MET 115 -19.583 -10.528  -4.096
 1090    HA   MET 115           HA       MET 115 -21.774 -11.237  -5.785
 1091   1HB   MET 115          2HB       MET 115 -20.145 -12.092  -7.406
 1092   2HB   MET 115          1HB       MET 115 -19.712 -10.461  -6.883
 1093   1HG   MET 115          2HG       MET 115 -18.004 -11.484  -5.430
 1094   2HG   MET 115          1HG       MET 115 -18.479 -13.070  -6.037
 1095   1HE   MET 115          2HE       MET 115 -18.180 -13.822  -8.607
 1096   2HE   MET 115          1HE       MET 115 -19.068 -12.395  -9.146
 1097   3HE   MET 115          3HE       MET 115 -17.495 -12.773  -9.846
 1098    QB   MET 115           QB       MET 115 -19.929 -11.277  -7.145
 1099    QG   MET 115           QG       MET 115 -18.241 -12.277  -5.734
 1100    ME   MET 115           QE       MET 115 -18.248 -12.996  -9.200
 1101    H    ARG 116           H        ARG 116 -19.929 -12.891  -3.511
 1102    HA   ARG 116           HA       ARG 116 -20.283 -14.830  -2.367
 1103   1HB   ARG 116          2HB       ARG 116 -22.718 -14.144  -3.241
 1104   2HB   ARG 116          1HB       ARG 116 -22.586 -15.735  -3.989
 1105   1HG   ARG 116          2HG       ARG 116 -23.614 -16.228  -1.985
 1106   2HG   ARG 116          1HG       ARG 116 -21.913 -16.437  -1.548
 1107   1HD   ARG 116          2HD       ARG 116 -22.991 -15.134   0.168
 1108   2HD   ARG 116          1HD       ARG 116 -21.902 -14.084  -0.740
 1109    HE   ARG 116           HE       ARG 116 -24.699 -14.152  -1.560
 1110   1HH1  ARG 116          1HH1      ARG 116 -22.107 -12.312  -0.001
 1111   2HH1  ARG 116          2HH1      ARG 116 -23.020 -10.893   0.180
 1112   1HH2  ARG 116          1HH2      ARG 116 -25.919 -12.212  -1.385
 1113   2HH2  ARG 116          2HH2      ARG 116 -25.247 -10.820  -0.663
 1114    QB   ARG 116           QB       ARG 116 -22.652 -14.939  -3.615
 1115    QG   ARG 116           QG       ARG 116 -22.763 -16.333  -1.766
 1116    QD   ARG 116           QD       ARG 116 -22.447 -14.609  -0.286
 1117    QH1  ARG 116           QH1      ARG 116 -22.564 -11.603   0.090
 1118    QH2  ARG 116           QH2      ARG 116 -25.583 -11.516  -1.024
 1119    H    SER 117           H        SER 117 -21.115 -15.420  -5.739
 1120    HA   SER 117           HA       SER 117 -20.563 -18.161  -5.826
 1121   1HB   SER 117          2HB       SER 117 -22.153 -17.016  -7.259
 1122   2HB   SER 117          1HB       SER 117 -20.835 -16.170  -8.063
 1123    HG   SER 117           HG       SER 117 -20.324 -18.788  -8.144
 1124    QB   SER 117           QB       SER 117 -21.494 -16.593  -7.661
 1125    H    LEU 118           H        LEU 118 -18.178 -15.794  -5.688
 1126    HA   LEU 118           HA       LEU 118 -16.483 -17.144  -7.534
 1127   1HB   LEU 118          2HB       LEU 118 -14.615 -15.768  -6.590
 1128   2HB   LEU 118          1HB       LEU 118 -15.942 -14.902  -7.328
 1129    HG   LEU 118           HG       LEU 118 -16.736 -14.242  -5.078
 1130   1HD1  LEU 118          1HD1      LEU 118 -15.858 -16.122  -3.752
 1131   2HD1  LEU 118          3HD1      LEU 118 -14.219 -15.557  -4.069
 1132   3HD1  LEU 118          2HD1      LEU 118 -15.320 -14.565  -3.115
 1133   1HD2  LEU 118          3HD2      LEU 118 -13.865 -13.639  -5.679
 1134   2HD2  LEU 118          2HD2      LEU 118 -15.290 -12.805  -6.314
 1135   3HD2  LEU 118          1HD2      LEU 118 -14.915 -12.730  -4.593
 1136    MD1  LEU 118           QD1      LEU 118 -15.132 -15.414  -3.645
 1137    MD2  LEU 118           QD2      LEU 118 -14.690 -13.058  -5.529
 1138    QB   LEU 118           QB       LEU 118 -15.278 -15.335  -6.959
 1139    QD   LEU 118           QQD      LEU 118 -14.911 -14.236  -4.587
 1140    H    GLY 119           H        GLY 119 -17.287 -17.785  -4.332
 1141   1HA   GLY 119          1HA       GLY 119 -14.856 -18.832  -3.369
 1142   2HA   GLY 119          2HA       GLY 119 -15.717 -20.122  -4.203
 1143    QA   GLY 119           QA       GLY 119 -15.286 -19.477  -3.786
 1144    H    LEU 120           H        LEU 120 -17.299 -17.554  -2.405
 1145    HA   LEU 120           HA       LEU 120 -17.692 -19.102  -0.044
 1146   1HB   LEU 120          2HB       LEU 120 -17.948 -16.559  -0.226
 1147   2HB   LEU 120          1HB       LEU 120 -19.435 -16.941  -1.104
 1148    HG   LEU 120           HG       LEU 120 -20.462 -17.896   0.832
 1149   1HD1  LEU 120          2HD1      LEU 120 -17.857 -17.386   2.271
 1150   2HD1  LEU 120          1HD1      LEU 120 -19.364 -17.900   3.027
 1151   3HD1  LEU 120          3HD1      LEU 120 -18.556 -18.956   1.876
 1152   1HD2  LEU 120          3HD2      LEU 120 -19.147 -15.266   1.516
 1153   2HD2  LEU 120          2HD2      LEU 120 -20.627 -15.476   0.586
 1154   3HD2  LEU 120          1HD2      LEU 120 -20.589 -15.927   2.290
 1155    MD1  LEU 120           QD1      LEU 120 -18.593 -18.080   2.392
 1156    MD2  LEU 120           QD2      LEU 120 -20.121 -15.556   1.464
 1157    QB   LEU 120           QB       LEU 120 -18.691 -16.750  -0.665
 1158    QD   LEU 120           QQD      LEU 120 -19.357 -16.818   1.928
 1159    H    ALA 121           H        ALA 121 -19.679 -18.302  -2.837
 1160    HA   ALA 121           HA       ALA 121 -21.420 -20.391  -2.049
 1161   1HB   ALA 121          1HB       ALA 121 -22.867 -19.653  -3.985
 1162   2HB   ALA 121          2HB       ALA 121 -21.700 -18.358  -4.283
 1163   3HB   ALA 121          3HB       ALA 121 -22.585 -18.417  -2.767
 1164    MB   ALA 121           QB       ALA 121 -22.384 -18.810  -3.678
 1165    H    GLU 122           H        GLU 122 -20.201 -22.095  -2.435
 1166    HA   GLU 122           HA       GLU 122 -19.398 -22.712  -5.178
 1167   1HB   GLU 122          2HB       GLU 122 -17.435 -21.948  -3.872
 1168   2HB   GLU 122          1HB       GLU 122 -17.780 -23.163  -2.660
 1169   1HG   GLU 122          2HG       GLU 122 -15.937 -23.809  -4.123
 1170   2HG   GLU 122          1HG       GLU 122 -17.299 -24.928  -4.242
 1171    QB   GLU 122           QB       GLU 122 -17.608 -22.556  -3.266
 1172    QG   GLU 122           QG       GLU 122 -16.618 -24.368  -4.183
 1173    H    SER 123           H        SER 123 -19.489 -24.937  -5.635
 1174    HA   SER 123           HA       SER 123 -21.398 -26.344  -4.038
 1175   1HB   SER 123          2HB       SER 123 -21.069 -28.070  -5.886
 1176   2HB   SER 123          1HB       SER 123 -21.692 -26.502  -6.406
 1177    HG   SER 123           HG       SER 123 -19.008 -27.377  -6.504
 1178    QB   SER 123           QB       SER 123 -21.380 -27.286  -6.146
 1179    H    ARG 124           H        ARG 124 -20.444 -26.861  -2.188
 1180    HA   ARG 124           HA       ARG 124 -17.897 -28.294  -2.287
 1181   1HB   ARG 124          2HB       ARG 124 -17.673 -28.040   0.098
 1182   2HB   ARG 124          1HB       ARG 124 -18.143 -26.487  -0.561
 1183   1HG   ARG 124          2HG       ARG 124 -20.152 -28.373   0.622
 1184   2HG   ARG 124          1HG       ARG 124 -19.216 -27.278   1.629
 1185   1HD   ARG 124          2HD       ARG 124 -20.176 -25.375   0.540
 1186   2HD   ARG 124          1HD       ARG 124 -20.977 -26.375  -0.663
 1187    HE   ARG 124           HE       ARG 124 -22.095 -27.403   1.385
 1188   1HH1  ARG 124          1HH1      ARG 124 -21.279 -23.956   1.177
 1189   2HH1  ARG 124          2HH1      ARG 124 -22.562 -23.457   2.172
 1190   1HH2  ARG 124          1HH2      ARG 124 -23.830 -26.705   2.777
 1191   2HH2  ARG 124          2HH2      ARG 124 -24.015 -25.047   3.110
 1192    QB   ARG 124           QB       ARG 124 -17.908 -27.264  -0.231
 1193    QG   ARG 124           QG       ARG 124 -19.684 -27.825   1.125
 1194    QD   ARG 124           QD       ARG 124 -20.577 -25.875  -0.061
 1195    QH1  ARG 124           QH1      ARG 124 -21.921 -23.706   1.674
 1196    QH2  ARG 124           QH2      ARG 124 -23.922 -25.876   2.944
 1197    H    GLN 125           H        GLN 125 -21.129 -28.904  -2.333
 1198    HA   GLN 125           HA       GLN 125 -22.518 -30.518  -1.805
 1199   1HB   GLN 125          2HB       GLN 125 -22.010 -32.634  -2.901
 1200   2HB   GLN 125          1HB       GLN 125 -21.678 -31.251  -3.909
 1201   1HG   GLN 125          2HG       GLN 125 -19.284 -31.479  -3.470
 1202   2HG   GLN 125          1HG       GLN 125 -19.609 -32.876  -2.443
 1203   1HE2  GLN 125          1HE2      GLN 125 -18.015 -32.656  -4.878
 1204   2HE2  GLN 125          2HE2      GLN 125 -18.676 -33.802  -5.983
 1205    QB   GLN 125           QB       GLN 125 -21.844 -31.943  -3.405
 1206    QG   GLN 125           QG       GLN 125 -19.446 -32.178  -2.956
 1207    QE   GLN 125           QE2      GLN 125 -18.346 -33.229  -5.430

  No H/Q in entry =        1207
  Start of MODEL   12
    1    H1   LEU   5          2HT       LEU   5  -5.674  26.230 -30.254
    2    H2   LEU   5          1HT       LEU   5  -7.148  26.283 -31.104
    3    H3   LEU   5          3HT       LEU   5  -6.271  27.684 -30.781
    4    HA   LEU   5           HA       LEU   5  -8.101  27.574 -29.292
    5   1HB   LEU   5          2HB       LEU   5  -8.238  25.069 -29.334
    6   2HB   LEU   5          1HB       LEU   5  -6.790  25.009 -28.354
    7    HG   LEU   5           HG       LEU   5  -8.031  26.177 -26.537
    8   1HD1  LEU   5          3HD1      LEU   5  -9.710  27.299 -27.897
    9   2HD1  LEU   5          2HD1      LEU   5 -10.416  25.742 -28.325
   10   3HD1  LEU   5          1HD1      LEU   5 -10.464  26.303 -26.652
   11   1HD2  LEU   5          2HD2      LEU   5  -9.249  23.598 -27.522
   12   2HD2  LEU   5          1HD2      LEU   5  -7.806  23.751 -26.526
   13   3HD2  LEU   5          3HD2      LEU   5  -9.376  24.232 -25.881
   14    MD1  LEU   5           QD1      LEU   5 -10.197  26.448 -27.625
   15    MD2  LEU   5           QD2      LEU   5  -8.810  23.861 -26.643
   16    QB   LEU   5           QB       LEU   5  -7.514  25.039 -28.844
   17    QD   LEU   5           QQD      LEU   5  -9.503  25.154 -27.134
   18    H    GLU   6           H        GLU   6  -7.762  28.370 -27.046
   19    HA   GLU   6           HA       GLU   6  -5.227  29.555 -26.705
   20   1HB   GLU   6          2HB       GLU   6  -7.327  30.629 -25.899
   21   2HB   GLU   6          1HB       GLU   6  -7.473  29.259 -24.799
   22   1HG   GLU   6          2HG       GLU   6  -6.766  31.334 -23.797
   23   2HG   GLU   6          1HG       GLU   6  -5.596  30.033 -23.526
   24    QB   GLU   6           QB       GLU   6  -7.400  29.944 -25.349
   25    QG   GLU   6           QG       GLU   6  -6.181  30.684 -23.661
   26    H    ALA   7           H        ALA   7  -3.861  29.335 -24.967
   27    HA   ALA   7           HA       ALA   7  -3.033  26.669 -24.427
   28   1HB   ALA   7          2HB       ALA   7  -2.109  29.238 -23.143
   29   2HB   ALA   7          3HB       ALA   7  -1.441  28.540 -24.616
   30   3HB   ALA   7          1HB       ALA   7  -1.280  27.681 -23.084
   31    MB   ALA   7           QB       ALA   7  -1.610  28.486 -23.614
   32    H    ASP   8           H        ASP   8  -3.301  25.448 -22.712
   33    HA   ASP   8           HA       ASP   8  -5.327  26.127 -20.776
   34   1HB   ASP   8          2HB       ASP   8  -5.231  23.866 -21.736
   35   2HB   ASP   8          1HB       ASP   8  -3.605  23.657 -21.099
   36    QB   ASP   8           QB       ASP   8  -4.418  23.761 -21.417
   37    H    VAL   9           H        VAL   9  -4.980  26.347 -18.556
   38    HA   VAL   9           HA       VAL   9  -2.764  27.614 -17.813
   39    HB   VAL   9           HB       VAL   9  -3.577  27.354 -15.447
   40   1HG1  VAL   9          1HG1      VAL   9  -5.531  28.255 -17.561
   41   2HG1  VAL   9          3HG1      VAL   9  -5.591  28.706 -15.858
   42   3HG1  VAL   9          2HG1      VAL   9  -4.233  29.225 -16.860
   43   1HG2  VAL   9          2HG2      VAL   9  -5.673  25.815 -16.904
   44   2HG2  VAL   9          1HG2      VAL   9  -4.591  25.205 -15.659
   45   3HG2  VAL   9          3HG2      VAL   9  -5.858  26.376 -15.229
   46    MG1  VAL   9           QG1      VAL   9  -5.119  28.728 -16.760
   47    MG2  VAL   9           QG2      VAL   9  -5.374  25.799 -15.931
   48    QG   VAL   9           QQG      VAL   9  -5.246  27.264 -16.345
   49    H    THR  10           H        THR  10  -3.379  24.213 -17.835
   50    HA   THR  10           HA       THR  10  -2.383  22.350 -17.230
   51    HB   THR  10           HB       THR  10  -0.057  22.145 -17.204
   52    HG1  THR  10          1HG       THR  10  -0.118  24.932 -16.933
   53   1HG2  THR  10          3HG2      THR  10  -0.986  24.012 -19.376
   54   2HG2  THR  10          2HG2      THR  10   0.499  23.067 -19.454
   55   3HG2  THR  10          1HG2      THR  10  -1.065  22.249 -19.376
   56    MG   THR  10           QG2      THR  10  -0.517  23.109 -19.402
   57    H    MET  11           H        MET  11  -1.092  21.164 -15.610
   58    HA   MET  11           HA       MET  11  -0.795  22.567 -13.104
   59   1HB   MET  11          2HB       MET  11  -1.972  20.887 -11.803
   60   2HB   MET  11          1HB       MET  11  -3.066  21.559 -12.995
   61   1HG   MET  11          2HG       MET  11  -2.745  19.584 -14.385
   62   2HG   MET  11          1HG       MET  11  -1.606  18.979 -13.178
   63   1HE   MET  11          3HE       MET  11  -5.364  19.879 -13.934
   64   2HE   MET  11          2HE       MET  11  -6.134  19.527 -12.388
   65   3HE   MET  11          1HE       MET  11  -5.005  20.875 -12.523
   66    QB   MET  11           QB       MET  11  -2.519  21.223 -12.399
   67    QG   MET  11           QG       MET  11  -2.175  19.281 -13.782
   68    ME   MET  11           QE       MET  11  -5.501  20.093 -12.948
   69    H    THR  12           H        THR  12   1.091  22.152 -12.315
   70    HA   THR  12           HA       THR  12   2.461  19.739 -13.270
   71    HB   THR  12           HB       THR  12   4.452  20.951 -12.829
   72    HG1  THR  12          1HG       THR  12   2.756  23.280 -12.929
   73   1HG2  THR  12          3HG2      THR  12   2.638  22.018 -14.983
   74   2HG2  THR  12          2HG2      THR  12   4.379  22.307 -14.961
   75   3HG2  THR  12          1HG2      THR  12   3.754  20.661 -15.094
   76    MG   THR  12           QG2      THR  12   3.591  21.662 -15.013
   77    H    GLY  13           H        GLY  13   4.183  19.020 -11.830
   78   1HA   GLY  13          1HA       GLY  13   3.490  17.821  -9.692
   79   2HA   GLY  13          2HA       GLY  13   3.544  19.462  -9.036
   80    QA   GLY  13           QA       GLY  13   3.517  18.642  -9.364
   81    H    SER  14           H        SER  14   5.421  20.201  -8.379
   82    HA   SER  14           HA       SER  14   7.864  19.247  -9.555
   83   1HB   SER  14          2HB       SER  14   8.752  21.080  -8.015
   84   2HB   SER  14          1HB       SER  14   7.690  21.539  -9.351
   85    HG   SER  14           HG       SER  14   6.971  21.326  -6.584
   86    QB   SER  14           QB       SER  14   8.221  21.309  -8.683
   87    H    ASP  15           H        ASP  15   6.104  19.100  -6.487
   88    HA   ASP  15           HA       ASP  15   8.246  17.553  -5.448
   89   1HB   ASP  15          2HB       ASP  15   7.378  18.416  -3.305
   90   2HB   ASP  15          1HB       ASP  15   8.447  19.510  -4.158
   91    QB   ASP  15           QB       ASP  15   7.913  18.963  -3.731
   92    H    LEU  16           H        LEU  16   6.540  16.256  -6.719
   93    HA   LEU  16           HA       LEU  16   5.403  14.707  -4.556
   94   1HB   LEU  16          2HB       LEU  16   4.534  14.749  -7.427
   95   2HB   LEU  16          1HB       LEU  16   3.897  13.711  -6.168
   96    HG   LEU  16           HG       LEU  16   2.308  15.207  -6.527
   97   1HD1  LEU  16          1HD1      LEU  16   2.573  15.038  -4.196
   98   2HD1  LEU  16          3HD1      LEU  16   3.745  16.354  -4.181
   99   3HD1  LEU  16          2HD1      LEU  16   2.056  16.676  -4.586
  100   1HD2  LEU  16          1HD2      LEU  16   4.301  17.409  -6.727
  101   2HD2  LEU  16          3HD2      LEU  16   3.284  16.655  -7.970
  102   3HD2  LEU  16          2HD2      LEU  16   2.538  17.639  -6.701
  103    MD1  LEU  16           QD1      LEU  16   2.791  16.023  -4.321
  104    MD2  LEU  16           QD2      LEU  16   3.374  17.235  -7.132
  105    QB   LEU  16           QB       LEU  16   4.216  14.230  -6.798
  106    QD   LEU  16           QQD      LEU  16   3.083  16.629  -5.727
  107    H    VAL  17           H        VAL  17   5.477  12.538  -4.815
  108    HA   VAL  17           HA       VAL  17   7.595  11.644  -6.346
  109    HB   VAL  17           HB       VAL  17   7.655  11.870  -3.360
  110   1HG1  VAL  17          3HG1      VAL  17   8.934   9.855  -5.006
  111   2HG1  VAL  17          2HG1      VAL  17   9.598  10.288  -3.382
  112   3HG1  VAL  17          1HG1      VAL  17   7.924   9.624  -3.563
  113   1HG2  VAL  17          2HG2      VAL  17   8.925  13.502  -4.740
  114   2HG2  VAL  17          1HG2      VAL  17   9.960  12.553  -3.670
  115   3HG2  VAL  17          3HG2      VAL  17   9.874  12.165  -5.375
  116    MG1  VAL  17           QG1      VAL  17   8.818   9.922  -3.984
  117    MG2  VAL  17           QG2      VAL  17   9.586  12.740  -4.595
  118    QG   VAL  17           QQG      VAL  17   9.202  11.331  -4.289
  119    H    SER  18           H        SER  18   7.470   9.321  -6.376
  120    HA   SER  18           HA       SER  18   5.119   8.046  -5.170
  121   1HB   SER  18          2HB       SER  18   6.178   7.617  -7.959
  122   2HB   SER  18          1HB       SER  18   5.092   6.487  -7.159
  123    HG   SER  18           HG       SER  18   3.866   8.593  -6.811
  124    QB   SER  18           QB       SER  18   5.635   7.052  -7.559
  125    H    CYS  19           H        CYS  19   5.852   6.718  -3.715
  126    HA   CYS  19           HA       CYS  19   8.244   5.157  -4.273
  127   1HB   CYS  19          2HB       CYS  19   6.553   5.431  -1.777
  128   2HB   CYS  19          1HB       CYS  19   7.946   4.368  -1.916
  129    HG   CYS  19           HG       CYS  19   9.287   6.165  -0.730
  130    QB   CYS  19           QB       CYS  19   7.250   4.899  -1.847
  131    H    CYS  20           H        CYS  20   7.973   3.279  -5.242
  132    HA   CYS  20           HA       CYS  20   5.274   2.108  -5.307
  133   1HB   CYS  20          2HB       CYS  20   7.564   1.768  -7.266
  134   2HB   CYS  20          1HB       CYS  20   5.914   1.197  -7.462
  135    HG   CYS  20           HG       CYS  20   7.234   4.084  -8.340
  136    QB   CYS  20           QB       CYS  20   6.739   1.482  -7.364
  137    H    TYR  21           H        TYR  21   5.258   0.377  -3.855
  138    HA   TYR  21           HA       TYR  21   7.851  -0.946  -3.628
  139   1HB   TYR  21          2HB       TYR  21   7.651  -1.165  -1.322
  140   2HB   TYR  21          1HB       TYR  21   7.278   0.502  -1.737
  141    HD1  TYR  21          1HD       TYR  21   5.525  -2.711  -0.808
  142    HD2  TYR  21          2HD       TYR  21   5.696   1.537  -0.634
  143    HE1  TYR  21          1HE       TYR  21   3.720  -2.700   0.834
  144    HE2  TYR  21          2HE       TYR  21   3.926   1.534   0.994
  145    HH   TYR  21           HH       TYR  21   2.040   0.020   1.704
  146    QB   TYR  21           QB       TYR  21   7.465  -0.332  -1.530
  147    QD   TYR  21           QD       TYR  21   5.610  -0.587  -0.721
  148    QE   TYR  21           QE       TYR  21   3.823  -0.583   0.914
  149    QR   TYR  21           QR       TYR  21   4.717  -0.585   0.097
  150    H    ARG  22           H        ARG  22   7.806  -3.127  -2.939
  151    HA   ARG  22           HA       ARG  22   5.194  -4.384  -3.359
  152   1HB   ARG  22          2HB       ARG  22   5.995  -6.001  -4.772
  153   2HB   ARG  22          1HB       ARG  22   7.306  -4.860  -4.994
  154   1HG   ARG  22          2HG       ARG  22   7.494  -6.975  -2.891
  155   2HG   ARG  22          1HG       ARG  22   7.870  -7.336  -4.569
  156   1HD   ARG  22          2HD       ARG  22   9.624  -5.692  -4.571
  157   2HD   ARG  22          1HD       ARG  22   9.160  -5.143  -2.960
  158    HE   ARG  22           HE       ARG  22  10.163  -7.030  -2.030
  159   1HH1  ARG  22          1HH1      ARG  22  10.268  -7.376  -5.553
  160   2HH1  ARG  22          2HH1      ARG  22  11.507  -8.557  -5.496
  161   1HH2  ARG  22          1HH2      ARG  22  11.740  -8.569  -1.972
  162   2HH2  ARG  22          2HH2      ARG  22  12.359  -9.298  -3.397
  163    QB   ARG  22           QB       ARG  22   6.651  -5.431  -4.883
  164    QG   ARG  22           QG       ARG  22   7.682  -7.156  -3.730
  165    QD   ARG  22           QD       ARG  22   9.392  -5.418  -3.765
  166    QH1  ARG  22           QH1      ARG  22  10.887  -7.966  -5.524
  167    QH2  ARG  22           QH2      ARG  22  12.050  -8.933  -2.684
  168    H    SER  23           H        SER  23   4.760  -6.177  -2.098
  169    HA   SER  23           HA       SER  23   6.671  -6.712  -0.061
  170   1HB   SER  23          2HB       SER  23   3.842  -5.889   0.614
  171   2HB   SER  23          1HB       SER  23   4.990  -6.554   1.777
  172    HG   SER  23           HG       SER  23   5.958  -4.484   0.306
  173    QB   SER  23           QB       SER  23   4.416  -6.221   1.195
  174    H    LEU  24           H        LEU  24   6.039  -8.674   1.109
  175    HA   LEU  24           HA       LEU  24   4.456 -10.427  -0.662
  176   1HB   LEU  24          2HB       LEU  24   6.787 -11.055   1.149
  177   2HB   LEU  24          1HB       LEU  24   5.758 -12.317   0.524
  178    HG   LEU  24           HG       LEU  24   7.762 -12.236  -0.774
  179   1HD1  LEU  24          1HD1      LEU  24   5.734 -12.754  -1.969
  180   2HD1  LEU  24          3HD1      LEU  24   5.513 -11.041  -2.342
  181   3HD1  LEU  24          2HD1      LEU  24   6.891 -11.919  -3.002
  182   1HD2  LEU  24          2HD2      LEU  24   8.413  -9.871  -0.334
  183   2HD2  LEU  24          1HD2      LEU  24   8.489 -10.302  -2.049
  184   3HD2  LEU  24          3HD2      LEU  24   7.130  -9.371  -1.444
  185    MD1  LEU  24           QD1      LEU  24   6.046 -11.905  -2.438
  186    MD2  LEU  24           QD2      LEU  24   8.011  -9.848  -1.276
  187    QB   LEU  24           QB       LEU  24   6.272 -11.686   0.836
  188    QD   LEU  24           QQD      LEU  24   7.029 -10.877  -1.857
  189    H    ALA  25           H        ALA  25   2.983  -8.951   0.987
  190    HA   ALA  25           HA       ALA  25   1.990  -8.775   3.198
  191   1HB   ALA  25          1HB       ALA  25   0.398  -9.085   1.369
  192   2HB   ALA  25          3HB       ALA  25   0.447 -10.830   1.624
  193   3HB   ALA  25          2HB       ALA  25  -0.193  -9.767   2.879
  194    MB   ALA  25           QB       ALA  25   0.218  -9.894   1.957
  195    H    ALA  26           H        ALA  26   2.588  -9.444   5.248
  196    HA   ALA  26           HA       ALA  26   3.880 -11.861   5.383
  197   1HB   ALA  26          2HB       ALA  26   4.433  -9.938   6.724
  198   2HB   ALA  26          1HB       ALA  26   2.889 -10.074   7.555
  199   3HB   ALA  26          3HB       ALA  26   4.106 -11.338   7.765
  200    MB   ALA  26           QB       ALA  26   3.809 -10.450   7.348
  201    HA   PRO  27           HA       PRO  27   0.493 -14.688   6.761
  202   1HB   PRO  27          2HB       PRO  27   2.000 -16.220   8.444
  203   2HB   PRO  27          1HB       PRO  27   2.109 -16.372   6.684
  204   1HG   PRO  27          2HG       PRO  27   3.694 -14.506   8.436
  205   2HG   PRO  27          1HG       PRO  27   4.393 -15.828   7.410
  206   1HD   PRO  27          2HD       PRO  27   4.403 -13.443   6.554
  207   2HD   PRO  27          1HD       PRO  27   3.573 -14.620   5.498
  208    QB   PRO  27           QB       PRO  27   2.055 -16.296   7.564
  209    QG   PRO  27           QG       PRO  27   4.044 -15.167   7.923
  210    QD   PRO  27           QD       PRO  27   3.988 -14.032   6.026
  211    H    ASP  28           H        ASP  28   2.283 -12.706   8.614
  212    HA   ASP  28           HA       ASP  28   1.266 -13.015  11.275
  213   1HB   ASP  28          2HB       ASP  28   2.685 -10.723   9.893
  214   2HB   ASP  28          1HB       ASP  28   2.302 -10.748  11.601
  215    QB   ASP  28           QB       ASP  28   2.493 -10.735  10.747
  216    H    LEU  29           H        LEU  29  -0.071 -11.879   8.465
  217    HA   LEU  29           HA       LEU  29  -1.590  -9.657   9.443
  218   1HB   LEU  29          2HB       LEU  29  -1.334 -11.123   6.901
  219   2HB   LEU  29          1HB       LEU  29  -2.688 -10.018   7.130
  220    HG   LEU  29           HG       LEU  29   0.222  -9.285   7.375
  221   1HD1  LEU  29          1HD1      LEU  29  -1.734  -8.953   5.104
  222   2HD1  LEU  29          3HD1      LEU  29  -0.128  -8.206   5.194
  223   3HD1  LEU  29          2HD1      LEU  29  -0.254  -9.958   5.108
  224   1HD2  LEU  29          2HD2      LEU  29  -2.357  -7.771   7.339
  225   2HD2  LEU  29          1HD2      LEU  29  -1.123  -7.735   8.587
  226   3HD2  LEU  29          3HD2      LEU  29  -0.820  -6.994   6.998
  227    MD1  LEU  29           QD1      LEU  29  -0.706  -9.039   5.135
  228    MD2  LEU  29           QD2      LEU  29  -1.433  -7.500   7.641
  229    QB   LEU  29           QB       LEU  29  -2.011 -10.570   7.016
  230    QD   LEU  29           QQD      LEU  29  -1.070  -8.269   6.388
  231    H    THR  30           H        THR  30  -3.794  -9.500   9.352
  232    HA   THR  30           HA       THR  30  -5.453 -11.886   9.303
  233    HB   THR  30           HB       THR  30  -6.803 -10.527  10.894
  234    HG1  THR  30          1HG       THR  30  -4.394  -9.739  12.096
  235   1HG2  THR  30          1HG2      THR  30  -4.441 -12.095  11.818
  236   2HG2  THR  30          3HG2      THR  30  -5.856 -11.643  12.816
  237   3HG2  THR  30          2HG2      THR  30  -6.089 -12.646  11.377
  238    MG   THR  30           QG2      THR  30  -5.462 -12.128  12.004
  239    H    LEU  31           H        LEU  31  -7.593 -11.306   8.812
  240    HA   LEU  31           HA       LEU  31  -8.018  -9.339   6.845
  241   1HB   LEU  31          2HB       LEU  31  -9.425 -11.342   7.444
  242   2HB   LEU  31          1HB       LEU  31  -9.766 -10.346   8.880
  243    HG   LEU  31           HG       LEU  31 -10.946  -8.711   7.573
  244   1HD1  LEU  31          2HD1      LEU  31  -9.687  -8.842   5.512
  245   2HD1  LEU  31          1HD1      LEU  31 -10.392 -10.428   5.156
  246   3HD1  LEU  31          3HD1      LEU  31 -11.412  -8.984   5.227
  247   1HD2  LEU  31          1HD2      LEU  31 -11.899 -11.503   6.972
  248   2HD2  LEU  31          3HD2      LEU  31 -12.210 -10.569   8.437
  249   3HD2  LEU  31          2HD2      LEU  31 -12.883 -10.037   6.895
  250    MD1  LEU  31           QD1      LEU  31 -10.497  -9.418   5.298
  251    MD2  LEU  31           QD2      LEU  31 -12.331 -10.703   7.434
  252    QB   LEU  31           QB       LEU  31  -9.596 -10.844   8.162
  253    QD   LEU  31           QQD      LEU  31 -11.414 -10.060   6.366
  254    H    ARG  32           H        ARG  32  -8.427  -9.328  10.408
  255    HA   ARG  32           HA       ARG  32  -9.605  -6.765  10.171
  256   1HB   ARG  32          2HB       ARG  32 -10.094  -8.054  12.211
  257   2HB   ARG  32          1HB       ARG  32  -8.401  -7.945  12.692
  258   1HG   ARG  32          2HG       ARG  32  -9.788  -6.295  13.909
  259   2HG   ARG  32          1HG       ARG  32  -8.565  -5.526  12.890
  260   1HD   ARG  32          2HD       ARG  32 -10.356  -5.245  11.121
  261   2HD   ARG  32          1HD       ARG  32 -11.533  -5.759  12.326
  262    HE   ARG  32           HE       ARG  32 -10.172  -3.738  13.515
  263   1HH1  ARG  32          1HH1      ARG  32 -12.095  -4.037  10.558
  264   2HH1  ARG  32          2HH1      ARG  32 -12.386  -2.376  10.375
  265   1HH2  ARG  32          1HH2      ARG  32 -10.578  -1.452  13.307
  266   2HH2  ARG  32          2HH2      ARG  32 -11.469  -0.813  12.011
  267    QB   ARG  32           QB       ARG  32  -9.248  -8.000  12.451
  268    QG   ARG  32           QG       ARG  32  -9.176  -5.911  13.400
  269    QD   ARG  32           QD       ARG  32 -10.945  -5.502  11.723
  270    QH1  ARG  32           QH1      ARG  32 -12.241  -3.206  10.467
  271    QH2  ARG  32           QH2      ARG  32 -11.024  -1.133  12.659
  272    H    ASP  33           H        ASP  33  -6.350  -7.879  10.412
  273    HA   ASP  33           HA       ASP  33  -5.235  -5.364  10.980
  274   1HB   ASP  33          2HB       ASP  33  -4.076  -7.728  10.923
  275   2HB   ASP  33          1HB       ASP  33  -3.783  -7.319   9.236
  276    QB   ASP  33           QB       ASP  33  -3.930  -7.524  10.079
  277    H    LEU  34           H        LEU  34  -6.219  -6.953   7.871
  278    HA   LEU  34           HA       LEU  34  -5.116  -4.798   6.243
  279   1HB   LEU  34          2HB       LEU  34  -7.355  -6.716   5.580
  280   2HB   LEU  34          1HB       LEU  34  -6.864  -5.445   4.500
  281    HG   LEU  34           HG       LEU  34  -5.951  -7.457   3.702
  282   1HD1  LEU  34          3HD1      LEU  34  -4.446  -5.554   3.551
  283   2HD1  LEU  34          2HD1      LEU  34  -3.734  -5.991   5.103
  284   3HD1  LEU  34          1HD1      LEU  34  -3.564  -7.070   3.725
  285   1HD2  LEU  34          2HD2      LEU  34  -6.213  -8.613   5.808
  286   2HD2  LEU  34          1HD2      LEU  34  -4.643  -8.976   5.013
  287   3HD2  LEU  34          3HD2      LEU  34  -4.732  -7.838   6.373
  288    MD1  LEU  34           QD1      LEU  34  -3.915  -6.205   4.127
  289    MD2  LEU  34           QD2      LEU  34  -5.196  -8.476   5.731
  290    QB   LEU  34           QB       LEU  34  -7.109  -6.080   5.040
  291    QD   LEU  34           QQD      LEU  34  -4.555  -7.341   4.929
  292    H    LEU  35           H        LEU  35  -8.144  -5.430   7.653
  293    HA   LEU  35           HA       LEU  35  -9.414  -3.163   6.578
  294   1HB   LEU  35          2HB       LEU  35 -10.132  -5.088   8.759
  295   2HB   LEU  35          1HB       LEU  35 -11.132  -3.683   8.455
  296    HG   LEU  35           HG       LEU  35 -11.900  -5.874   7.364
  297   1HD1  LEU  35          3HD1      LEU  35 -11.366  -3.514   5.558
  298   2HD1  LEU  35          2HD1      LEU  35 -12.556  -4.780   5.270
  299   3HD1  LEU  35          1HD1      LEU  35 -12.744  -3.691   6.644
  300   1HD2  LEU  35          2HD2      LEU  35  -9.536  -5.270   5.603
  301   2HD2  LEU  35          1HD2      LEU  35  -9.692  -6.665   6.587
  302   3HD2  LEU  35          3HD2      LEU  35 -10.783  -6.478   5.199
  303    MD1  LEU  35           QD1      LEU  35 -12.222  -3.995   5.824
  304    MD2  LEU  35           QD2      LEU  35 -10.004  -6.137   5.796
  305    QB   LEU  35           QB       LEU  35 -10.632  -4.385   8.607
  306    QD   LEU  35           QQD      LEU  35 -11.113  -5.066   5.810
  307    H    ASP  36           H        ASP  36  -7.557  -3.696   9.346
  308    HA   ASP  36           HA       ASP  36  -7.966  -1.114  10.595
  309   1HB   ASP  36          2HB       ASP  36  -6.064  -3.337  11.001
  310   2HB   ASP  36          1HB       ASP  36  -5.398  -1.753  11.347
  311    QB   ASP  36           QB       ASP  36  -5.731  -2.545  11.174
  312    H    ILE  37           H        ILE  37  -5.462  -2.459   8.523
  313    HA   ILE  37           HA       ILE  37  -3.810  -0.312   8.077
  314    HB   ILE  37           HB       ILE  37  -4.667  -2.565   6.259
  315   1HG1  ILE  37          2HG1      ILE  37  -1.944  -2.074   7.410
  316   2HG1  ILE  37          1HG1      ILE  37  -3.172  -2.857   8.378
  317   1HG2  ILE  37          2HG2      ILE  37  -2.546  -0.510   5.641
  318   2HG2  ILE  37          1HG2      ILE  37  -2.809  -2.002   4.735
  319   3HG2  ILE  37          3HG2      ILE  37  -4.057  -0.755   4.771
  320   1HD1  ILE  37          3HD1      ILE  37  -2.193  -3.822   5.695
  321   2HD1  ILE  37          2HD1      ILE  37  -1.617  -4.432   7.247
  322   3HD1  ILE  37          1HD1      ILE  37  -3.290  -4.690   6.760
  323    MG   ILE  37           QG2      ILE  37  -3.138  -1.089   5.049
  324    MD   ILE  37           QD1      ILE  37  -2.367  -4.314   6.567
  325    QG   ILE  37           QG1      ILE  37  -2.558  -2.465   7.894
  326    H    VAL  38           H        VAL  38  -6.603  -1.210   6.093
  327    HA   VAL  38           HA       VAL  38  -6.495   1.079   4.493
  328    HB   VAL  38           HB       VAL  38  -7.752  -0.944   3.789
  329   1HG1  VAL  38          1HG1      VAL  38  -8.691  -1.546   5.874
  330   2HG1  VAL  38          3HG1      VAL  38  -9.830  -0.198   5.802
  331   3HG1  VAL  38          2HG1      VAL  38  -9.911  -1.497   4.599
  332   1HG2  VAL  38          3HG2      VAL  38  -9.440   1.554   3.862
  333   2HG2  VAL  38          2HG2      VAL  38  -8.306   1.079   2.601
  334   3HG2  VAL  38          1HG2      VAL  38  -9.770   0.146   2.852
  335    MG1  VAL  38           QG1      VAL  38  -9.477  -1.080   5.425
  336    MG2  VAL  38           QG2      VAL  38  -9.172   0.927   3.105
  337    QG   VAL  38           QQG      VAL  38  -9.325  -0.077   4.265
  338    H    GLU  39           H        GLU  39  -8.211   0.527   7.548
  339    HA   GLU  39           HA       GLU  39  -9.806   2.802   7.575
  340   1HB   GLU  39          2HB       GLU  39  -9.863   0.735   9.048
  341   2HB   GLU  39          1HB       GLU  39  -8.557   1.460   9.958
  342   1HG   GLU  39          2HG       GLU  39  -9.977   3.377  10.474
  343   2HG   GLU  39          1HG       GLU  39 -11.256   2.608   9.517
  344    QB   GLU  39           QB       GLU  39  -9.210   1.097   9.503
  345    QG   GLU  39           QG       GLU  39 -10.616   2.993   9.996
  346    H    THR  40           H        THR  40  -6.522   2.249   8.842
  347    HA   THR  40           HA       THR  40  -6.194   4.865   9.940
  348    HB   THR  40           HB       THR  40  -4.081   2.838   9.162
  349    HG1  THR  40          1HG       THR  40  -5.687   3.095  11.479
  350   1HG2  THR  40          1HG2      THR  40  -3.202   5.061   9.744
  351   2HG2  THR  40          3HG2      THR  40  -4.089   5.016  11.268
  352   3HG2  THR  40          2HG2      THR  40  -2.778   3.871  10.972
  353    MG   THR  40           QG2      THR  40  -3.356   4.649  10.661
  354    H    SER  41           H        SER  41  -5.546   3.412   6.813
  355    HA   SER  41           HA       SER  41  -3.483   5.081   6.017
  356   1HB   SER  41          2HB       SER  41  -4.096   2.857   5.008
  357   2HB   SER  41          1HB       SER  41  -5.370   3.690   4.122
  358    HG   SER  41           HG       SER  41  -3.917   4.328   2.752
  359    QB   SER  41           QB       SER  41  -4.733   3.273   4.565
  360    H    GLN  42           H        GLN  42  -7.001   5.433   5.082
  361    HA   GLN  42           HA       GLN  42  -6.573   7.617   3.359
  362   1HB   GLN  42          2HB       GLN  42  -9.070   7.349   5.049
  363   2HB   GLN  42          1HB       GLN  42  -8.864   8.388   3.673
  364   1HG   GLN  42          2HG       GLN  42 -10.140   6.645   2.858
  365   2HG   GLN  42          1HG       GLN  42  -8.514   6.240   2.335
  366   1HE2  GLN  42          1HE2      GLN  42  -9.545   5.856   5.689
  367   2HE2  GLN  42          2HE2      GLN  42  -9.496   4.133   5.606
  368    QB   GLN  42           QB       GLN  42  -8.967   7.868   4.361
  369    QG   GLN  42           QG       GLN  42  -9.327   6.442   2.597
  370    QE   GLN  42           QE2      GLN  42  -9.521   4.995   5.648
  371    H    ALA  43           H        ALA  43  -7.104   7.572   6.765
  372    HA   ALA  43           HA       ALA  43  -7.586  10.270   7.183
  373   1HB   ALA  43          2HB       ALA  43  -7.121   9.816   9.518
  374   2HB   ALA  43          3HB       ALA  43  -6.252   8.335   9.073
  375   3HB   ALA  43          1HB       ALA  43  -7.982   8.453   8.788
  376    MB   ALA  43           QB       ALA  43  -7.118   8.868   9.126
  377    H    HIS  44           H        HIS  44  -4.509   8.641   6.834
  378    HA   HIS  44           HA       HIS  44  -3.217  11.193   7.432
  379   1HB   HIS  44          2HB       HIS  44  -2.266   9.022   8.418
  380   2HB   HIS  44          1HB       HIS  44  -1.943   8.653   6.714
  381    HD1  HIS  44          1HD       HIS  44   0.563   8.571   6.800
  382    HD2  HIS  44          2HD       HIS  44  -0.956  12.131   8.299
  383    HE1  HIS  44          1HE       HIS  44   2.556  10.096   7.085
  384    HE2  HIS  44          2HE       HIS  44   1.617  12.099   8.278
  385    QB   HIS  44           QB       HIS  44  -2.104   8.837   7.566
  386    H    ASN  45           H        ASN  45  -3.743   8.949   4.697
  387    HA   ASN  45           HA       ASN  45  -1.900  10.426   3.107
  388   1HB   ASN  45          2HB       ASN  45  -2.494   9.131   1.180
  389   2HB   ASN  45          1HB       ASN  45  -2.510   8.020   2.534
  390   1HD2  ASN  45          1HD2      ASN  45  -4.446   9.712   0.149
  391   2HD2  ASN  45          2HD2      ASN  45  -5.870   8.754   0.401
  392    QB   ASN  45           QB       ASN  45  -2.502   8.576   1.857
  393    QD   ASN  45           QD2      ASN  45  -5.158   9.233   0.275
  394    H    ALA  46           H        ALA  46  -5.377  10.571   3.533
  395    HA   ALA  46           HA       ALA  46  -5.926  12.425   1.490
  396   1HB   ALA  46          3HB       ALA  46  -7.928  12.963   2.848
  397   2HB   ALA  46          1HB       ALA  46  -7.254  11.992   4.153
  398   3HB   ALA  46          2HB       ALA  46  -7.697  11.217   2.628
  399    MB   ALA  46           QB       ALA  46  -7.627  12.057   3.209
  400    H    ARG  47           H        ARG  47  -5.069  12.778   4.869
  401    HA   ARG  47           HA       ARG  47  -5.173  15.580   4.972
  402   1HB   ARG  47          2HB       ARG  47  -5.111  14.086   6.976
  403   2HB   ARG  47          1HB       ARG  47  -3.455  13.717   6.457
  404   1HG   ARG  47          2HG       ARG  47  -2.591  15.747   7.030
  405   2HG   ARG  47          1HG       ARG  47  -4.167  16.534   7.063
  406   1HD   ARG  47          2HD       ARG  47  -3.029  16.045   9.312
  407   2HD   ARG  47          1HD       ARG  47  -4.718  15.604   9.127
  408    HE   ARG  47           HE       ARG  47  -4.098  13.367   8.936
  409   1HH1  ARG  47          1HH1      ARG  47  -1.267  15.372   9.705
  410   2HH1  ARG  47          2HH1      ARG  47  -0.563  14.212  10.729
  411   1HH2  ARG  47          1HH2      ARG  47  -3.063  11.752  10.363
  412   2HH2  ARG  47          2HH2      ARG  47  -1.579  12.151  11.092
  413    QB   ARG  47           QB       ARG  47  -4.283  13.902   6.717
  414    QG   ARG  47           QG       ARG  47  -3.379  16.141   7.047
  415    QD   ARG  47           QD       ARG  47  -3.873  15.824   9.220
  416    QH1  ARG  47           QH1      ARG  47  -0.915  14.792  10.217
  417    QH2  ARG  47           QH2      ARG  47  -2.321  11.951  10.727
  418    H    ALA  48           H        ALA  48  -2.442  13.323   4.430
  419    HA   ALA  48           HA       ALA  48  -0.835  15.570   4.179
  420   1HB   ALA  48          2HB       ALA  48   0.112  13.594   5.141
  421   2HB   ALA  48          3HB       ALA  48   1.031  14.146   3.735
  422   3HB   ALA  48          1HB       ALA  48  -0.028  12.735   3.592
  423    MB   ALA  48           QB       ALA  48   0.372  13.492   4.156
  424    H    GLN  49           H        GLN  49  -2.982  14.363   2.068
  425    HA   GLN  49           HA       GLN  49  -3.573  14.948  -0.051
  426   1HB   GLN  49          2HB       GLN  49  -0.945  16.406  -0.057
  427   2HB   GLN  49          1HB       GLN  49  -2.235  16.650  -1.268
  428   1HG   GLN  49          2HG       GLN  49  -3.485  17.805   0.258
  429   2HG   GLN  49          1HG       GLN  49  -2.766  16.811   1.551
  430   1HE2  GLN  49          1HE2      GLN  49  -0.985  17.364   2.514
  431   2HE2  GLN  49          2HE2      GLN  49  -0.117  18.824   2.332
  432    QB   GLN  49           QB       GLN  49  -1.590  16.528  -0.663
  433    QG   GLN  49           QG       GLN  49  -3.125  17.308   0.905
  434    QE   GLN  49           QE2      GLN  49  -0.551  18.094   2.423
  435    H    LEU  50           H        LEU  50  -1.947  12.735   0.732
  436    HA   LEU  50           HA       LEU  50  -0.425  11.897  -1.557
  437   1HB   LEU  50          2HB       LEU  50  -1.056  10.869   1.144
  438   2HB   LEU  50          1HB       LEU  50  -0.604   9.708  -0.092
  439    HG   LEU  50           HG       LEU  50   1.501  10.707  -0.359
  440   1HD1  LEU  50          3HD1      LEU  50   0.653  12.809   1.608
  441   2HD1  LEU  50          2HD1      LEU  50   2.285  12.605   0.969
  442   3HD1  LEU  50          1HD1      LEU  50   0.963  13.040  -0.111
  443   1HD2  LEU  50          2HD2      LEU  50   1.214   9.148   1.513
  444   2HD2  LEU  50          1HD2      LEU  50   2.506  10.336   1.787
  445   3HD2  LEU  50          3HD2      LEU  50   0.944  10.520   2.578
  446    MD1  LEU  50           QD1      LEU  50   1.301  12.818   0.822
  447    MD2  LEU  50           QD2      LEU  50   1.555  10.001   1.959
  448    QB   LEU  50           QB       LEU  50  -0.830  10.289   0.526
  449    QD   LEU  50           QQD      LEU  50   1.428  11.410   1.391
  450    H    THR  51           H        THR  51  -1.145  10.675  -3.159
  451    HA   THR  51           HA       THR  51  -3.787   9.514  -2.947
  452    HB   THR  51           HB       THR  51  -3.968  10.004  -5.401
  453    HG1  THR  51          1HG       THR  51  -1.993  10.308  -6.219
  454   1HG2  THR  51          3HG2      THR  51  -4.751  11.461  -3.623
  455   2HG2  THR  51          2HG2      THR  51  -3.195  12.326  -3.693
  456   3HG2  THR  51          1HG2      THR  51  -4.294  12.372  -5.089
  457    MG   THR  51           QG2      THR  51  -4.080  12.053  -4.135
  458    H    GLY  52           H        GLY  52  -3.964   7.442  -4.256
  459   1HA   GLY  52          1HA       GLY  52  -2.177   5.792  -2.985
  460   2HA   GLY  52          2HA       GLY  52  -1.530   6.024  -4.599
  461    QA   GLY  52           QA       GLY  52  -1.854   5.908  -3.792
  462    H    ALA  53           H        ALA  53  -1.846   3.685  -4.224
  463    HA   ALA  53           HA       ALA  53  -4.378   2.536  -4.231
  464   1HB   ALA  53          3HB       ALA  53  -4.531   3.345  -6.554
  465   2HB   ALA  53          1HB       ALA  53  -4.466   1.583  -6.495
  466   3HB   ALA  53          2HB       ALA  53  -3.031   2.514  -6.945
  467    MB   ALA  53           QB       ALA  53  -4.009   2.481  -6.665
  468    H    LEU  54           H        LEU  54  -4.253   0.268  -4.102
  469    HA   LEU  54           HA       LEU  54  -1.589  -0.821  -4.351
  470   1HB   LEU  54          2HB       LEU  54  -1.470  -1.758  -2.193
  471   2HB   LEU  54          1HB       LEU  54  -1.961  -0.087  -2.005
  472    HG   LEU  54           HG       LEU  54  -4.346  -1.034  -1.678
  473   1HD1  LEU  54          1HD1      LEU  54  -2.730  -3.530  -1.161
  474   2HD1  LEU  54          3HD1      LEU  54  -4.421  -3.318  -0.719
  475   3HD1  LEU  54          2HD1      LEU  54  -3.951  -3.321  -2.417
  476   1HD2  LEU  54          2HD2      LEU  54  -2.978  -0.007   0.075
  477   2HD2  LEU  54          1HD2      LEU  54  -3.930  -1.360   0.702
  478   3HD2  LEU  54          3HD2      LEU  54  -2.215  -1.564   0.379
  479    MD1  LEU  54           QD1      LEU  54  -3.701  -3.390  -1.432
  480    MD2  LEU  54           QD2      LEU  54  -3.041  -0.977   0.385
  481    QB   LEU  54           QB       LEU  54  -1.716  -0.923  -2.099
  482    QD   LEU  54           QQD      LEU  54  -3.371  -2.183  -0.523
  483    H    PHE  55           H        PHE  55  -1.505  -2.859  -4.910
  484    HA   PHE  55           HA       PHE  55  -4.058  -4.167  -5.429
  485   1HB   PHE  55          2HB       PHE  55  -1.496  -4.281  -7.043
  486   2HB   PHE  55          1HB       PHE  55  -2.918  -5.274  -7.343
  487    HD1  PHE  55          1HD       PHE  55  -4.965  -4.261  -8.229
  488    HD2  PHE  55          2HD       PHE  55  -1.422  -1.976  -7.676
  489    HE1  PHE  55          1HE       PHE  55  -5.888  -2.493  -9.663
  490    HE2  PHE  55          2HE       PHE  55  -2.341  -0.200  -9.112
  491    HZ   PHE  55           HZ       PHE  55  -4.571  -0.458 -10.108
  492    QB   PHE  55           QB       PHE  55  -2.207  -4.778  -7.193
  493    QD   PHE  55           QD       PHE  55  -3.193  -3.119  -7.953
  494    QE   PHE  55           QE       PHE  55  -4.114  -1.346  -9.388
  495    QR   PHE  55           QR       PHE  55  -3.837  -1.878  -8.958
  496    H    TYR  56           H        TYR  56  -4.236  -5.582  -3.910
  497    HA   TYR  56           HA       TYR  56  -1.931  -7.164  -3.074
  498   1HB   TYR  56          2HB       TYR  56  -3.329  -6.090  -1.315
  499   2HB   TYR  56          1HB       TYR  56  -4.761  -6.887  -1.892
  500    HD1  TYR  56          1HD       TYR  56  -3.886  -9.732  -2.088
  501    HD2  TYR  56          2HD       TYR  56  -2.911  -6.772   0.808
  502    HE1  TYR  56          1HE       TYR  56  -3.496 -11.500  -0.422
  503    HE2  TYR  56          2HE       TYR  56  -2.496  -8.541   2.474
  504    HH   TYR  56           HH       TYR  56  -2.297 -11.847   1.623
  505    QB   TYR  56           QB       TYR  56  -4.045  -6.489  -1.604
  506    QD   TYR  56           QD       TYR  56  -3.398  -8.252  -0.640
  507    QE   TYR  56           QE       TYR  56  -2.996 -10.021   1.026
  508    QR   TYR  56           QR       TYR  56  -3.197  -9.136   0.193
  509    H    SER  57           H        SER  57  -1.735  -8.815  -4.513
  510    HA   SER  57           HA       SER  57  -4.196 -10.023  -5.512
  511   1HB   SER  57          2HB       SER  57  -2.705 -10.759  -7.445
  512   2HB   SER  57          1HB       SER  57  -3.078  -9.039  -7.343
  513    HG   SER  57           HG       SER  57  -0.749 -10.306  -6.389
  514    QB   SER  57           QB       SER  57  -2.892  -9.899  -7.394
  515    H    GLN  58           H        GLN  58  -4.571 -11.582  -4.122
  516    HA   GLN  58           HA       GLN  58  -4.571 -13.590  -3.156
  517   1HB   GLN  58          2HB       GLN  58  -3.812 -14.463  -5.356
  518   2HB   GLN  58          1HB       GLN  58  -2.152 -14.224  -4.862
  519   1HG   GLN  58          2HG       GLN  58  -2.745 -16.558  -4.651
  520   2HG   GLN  58          1HG       GLN  58  -2.419 -15.870  -3.070
  521   1HE2  GLN  58          1HE2      GLN  58  -5.467 -15.449  -4.873
  522   2HE2  GLN  58          2HE2      GLN  58  -6.408 -16.344  -3.751
  523    QB   GLN  58           QB       GLN  58  -2.982 -14.344  -5.109
  524    QG   GLN  58           QG       GLN  58  -2.582 -16.214  -3.861
  525    QE   GLN  58           QE2      GLN  58  -5.937 -15.897  -4.312
  526    H    GLY  59           H        GLY  59  -1.200 -12.611  -3.398
  527   1HA   GLY  59          1HA       GLY  59   0.057 -13.711  -1.297
  528   2HA   GLY  59          2HA       GLY  59  -1.017 -12.578  -0.491
  529    QA   GLY  59           QA       GLY  59  -0.480 -13.145  -0.894
  530    H    VAL  60           H        VAL  60   0.573 -12.007  -3.604
  531    HA   VAL  60           HA       VAL  60   2.575 -10.454  -2.322
  532    HB   VAL  60           HB       VAL  60   3.366  -9.785  -4.551
  533   1HG1  VAL  60          3HG1      VAL  60   2.782 -12.705  -4.278
  534   2HG1  VAL  60          2HG1      VAL  60   3.954 -12.015  -5.394
  535   3HG1  VAL  60          1HG1      VAL  60   4.175 -11.839  -3.650
  536   1HG2  VAL  60          2HG2      VAL  60   1.224  -9.623  -5.727
  537   2HG2  VAL  60          1HG2      VAL  60   2.332 -10.690  -6.586
  538   3HG2  VAL  60          3HG2      VAL  60   1.024 -11.371  -5.617
  539    MG1  VAL  60           QG1      VAL  60   3.637 -12.186  -4.441
  540    MG2  VAL  60           QG2      VAL  60   1.527 -10.562  -5.977
  541    QG   VAL  60           QQG      VAL  60   2.582 -11.374  -5.209
  542    H    PHE  61           H        PHE  61   2.671  -8.475  -1.857
  543    HA   PHE  61           HA       PHE  61   0.381  -6.710  -2.254
  544   1HB   PHE  61          2HB       PHE  61   2.556  -7.046  -0.422
  545   2HB   PHE  61          1HB       PHE  61   2.481  -5.392  -0.998
  546    HD1  PHE  61          1HD       PHE  61   1.991  -7.018   1.706
  547    HD2  PHE  61          2HD       PHE  61  -0.463  -4.959  -1.095
  548    HE1  PHE  61          1HE       PHE  61   0.412  -6.513   3.488
  549    HE2  PHE  61          2HE       PHE  61  -2.066  -4.450   0.706
  550    HZ   PHE  61           HZ       PHE  61  -1.592  -5.207   2.998
  551    QB   PHE  61           QB       PHE  61   2.519  -6.219  -0.710
  552    QD   PHE  61           QD       PHE  61   0.764  -5.989   0.306
  553    QE   PHE  61           QE       PHE  61  -0.827  -5.482   2.097
  554    QR   PHE  61           QR       PHE  61  -0.344  -5.629   1.561
  555    H    PHE  62           H        PHE  62   0.460  -5.233  -3.944
  556    HA   PHE  62           HA       PHE  62   3.050  -3.976  -4.338
  557   1HB   PHE  62          2HB       PHE  62   2.421  -5.090  -6.466
  558   2HB   PHE  62          1HB       PHE  62   0.873  -4.233  -6.449
  559    HD1  PHE  62          1HD       PHE  62   0.690  -2.099  -7.405
  560    HD2  PHE  62          2HD       PHE  62   4.546  -3.696  -6.563
  561    HE1  PHE  62          1HE       PHE  62   1.732  -0.187  -8.551
  562    HE2  PHE  62          2HE       PHE  62   5.591  -1.794  -7.714
  563    HZ   PHE  62           HZ       PHE  62   4.183  -0.033  -8.707
  564    QB   PHE  62           QB       PHE  62   1.647  -4.661  -6.458
  565    QD   PHE  62           QD       PHE  62   2.618  -2.898  -6.984
  566    QE   PHE  62           QE       PHE  62   3.662  -0.990  -8.132
  567    QR   PHE  62           QR       PHE  62   3.348  -1.562  -7.788
  568    H    GLN  63           H        GLN  63   3.037  -1.951  -3.632
  569    HA   GLN  63           HA       GLN  63   0.443  -0.573  -3.362
  570   1HB   GLN  63          2HB       GLN  63   1.360  -1.955  -1.329
  571   2HB   GLN  63          1HB       GLN  63   2.500  -0.644  -1.191
  572   1HG   GLN  63          2HG       GLN  63  -0.499  -0.474  -0.897
  573   2HG   GLN  63          1HG       GLN  63   0.714  -0.475   0.342
  574   1HE2  GLN  63          1HE2      GLN  63   2.510   1.441  -0.913
  575   2HE2  GLN  63          2HE2      GLN  63   1.669   2.953  -0.859
  576    QB   GLN  63           QB       GLN  63   1.930  -1.299  -1.260
  577    QG   GLN  63           QG       GLN  63   0.108  -0.475  -0.277
  578    QE   GLN  63           QE2      GLN  63   2.090   2.197  -0.886
  579    H    TRP  64           H        TRP  64   0.785   1.545  -4.131
  580    HA   TRP  64           HA       TRP  64   3.356   2.605  -3.491
  581   1HB   TRP  64          2HB       TRP  64   3.974   3.333  -5.602
  582   2HB   TRP  64          1HB       TRP  64   3.330   1.708  -5.930
  583    HD1  TRP  64           HD       TRP  64   3.520   5.044  -7.165
  584    HE1  TRP  64          1HE       TRP  64   1.722   5.565  -8.849
  585    HE3  TRP  64          3HE       TRP  64   0.410   1.138  -6.192
  586    HZ2  TRP  64          2HZ       TRP  64  -0.755   4.481  -9.683
  587    HZ3  TRP  64          3HZ       TRP  64  -1.691   0.984  -7.447
  588    HH2  TRP  64           HH       TRP  64  -2.242   2.604  -9.178
  589    QB   TRP  64           QB       TRP  64   3.652   2.520  -5.766
  590    H    LEU  65           H        LEU  65   3.327   5.032  -3.769
  591    HA   LEU  65           HA       LEU  65   0.662   6.155  -3.712
  592   1HB   LEU  65          2HB       LEU  65   1.030   7.340  -1.622
  593   2HB   LEU  65          1HB       LEU  65   1.006   5.611  -1.384
  594    HG   LEU  65           HG       LEU  65   3.546   7.131  -1.636
  595   1HD1  LEU  65          1HD1      LEU  65   1.924   6.557   0.856
  596   2HD1  LEU  65          3HD1      LEU  65   3.582   7.164   0.868
  597   3HD1  LEU  65          2HD1      LEU  65   2.298   8.148   0.172
  598   1HD2  LEU  65          3HD2      LEU  65   3.746   4.700  -1.800
  599   2HD2  LEU  65          2HD2      LEU  65   4.482   5.265  -0.301
  600   3HD2  LEU  65          1HD2      LEU  65   2.885   4.513  -0.271
  601    MD1  LEU  65           QD1      LEU  65   2.601   7.290   0.632
  602    MD2  LEU  65           QD2      LEU  65   3.704   4.826  -0.791
  603    QB   LEU  65           QB       LEU  65   1.018   6.475  -1.503
  604    QD   LEU  65           QQD      LEU  65   3.153   6.058  -0.079
  605    H    GLU  66           H        GLU  66   0.526   8.236  -4.178
  606    HA   GLU  66           HA       GLU  66   2.883   9.599  -5.299
  607   1HB   GLU  66          2HB       GLU  66  -0.048  10.361  -5.458
  608   2HB   GLU  66          1HB       GLU  66   1.277  10.937  -6.432
  609   1HG   GLU  66          2HG       GLU  66   1.301   8.891  -7.707
  610   2HG   GLU  66          1HG       GLU  66   0.110   8.160  -6.618
  611    QB   GLU  66           QB       GLU  66   0.615  10.649  -5.945
  612    QG   GLU  66           QG       GLU  66   0.706   8.526  -7.163
  613    H    GLY  67           H        GLY  67   3.654  11.186  -3.889
  614   1HA   GLY  67          1HA       GLY  67   2.563  11.893  -1.469
  615   2HA   GLY  67          2HA       GLY  67   1.779  12.924  -2.668
  616    QA   GLY  67           QA       GLY  67   2.171  12.409  -2.068
  617    H    HIS  68           H        HIS  68   3.053  14.479  -1.069
  618    HA   HIS  68           HA       HIS  68   5.393  15.421  -2.427
  619   1HB   HIS  68          2HB       HIS  68   4.061  17.074  -1.283
  620   2HB   HIS  68          1HB       HIS  68   4.131  16.225   0.231
  621    HD1  HIS  68          1HD       HIS  68   6.166  16.581   1.722
  622    HD2  HIS  68          2HD       HIS  68   6.148  18.421  -1.902
  623    HE1  HIS  68          1HE       HIS  68   8.147  18.032   1.853
  624    HE2  HIS  68          2HE       HIS  68   7.903  19.512  -0.190
  625    QB   HIS  68           QB       HIS  68   4.096  16.650  -0.526
  626    HA   PRO  69           HA       PRO  69   8.431  12.453  -1.259
  627   1HB   PRO  69          2HB       PRO  69  10.306  14.428  -0.340
  628   2HB   PRO  69          1HB       PRO  69  10.340  13.484  -1.821
  629   1HG   PRO  69          2HG       PRO  69   9.317  16.223  -1.385
  630   2HG   PRO  69          1HG       PRO  69   9.874  15.457  -2.881
  631   1HD   PRO  69          2HD       PRO  69   7.304  15.994  -2.464
  632   2HD   PRO  69          1HD       PRO  69   7.785  14.498  -3.292
  633    QB   PRO  69           QB       PRO  69  10.323  13.956  -1.080
  634    QG   PRO  69           QG       PRO  69   9.596  15.840  -2.133
  635    QD   PRO  69           QD       PRO  69   7.544  15.246  -2.878
  636    H    ALA  70           H        ALA  70   8.473  15.048   1.200
  637    HA   ALA  70           HA       ALA  70   9.346  13.200   3.138
  638   1HB   ALA  70          2HB       ALA  70   9.931  15.511   3.405
  639   2HB   ALA  70          3HB       ALA  70   8.961  14.934   4.780
  640   3HB   ALA  70          1HB       ALA  70   8.198  15.922   3.533
  641    MB   ALA  70           QB       ALA  70   9.030  15.455   3.906
  642    H    ALA  71           H        ALA  71   6.250  14.054   2.205
  643    HA   ALA  71           HA       ALA  71   4.928  13.117   4.520
  644   1HB   ALA  71          1HB       ALA  71   4.136  13.194   1.693
  645   2HB   ALA  71          3HB       ALA  71   2.986  12.991   3.015
  646   3HB   ALA  71          2HB       ALA  71   3.890  14.535   2.833
  647    MB   ALA  71           QB       ALA  71   3.670  13.573   2.514
  648    H    VAL  72           H        VAL  72   5.906  11.885   1.442
  649    HA   VAL  72           HA       VAL  72   4.839   9.263   1.553
  650    HB   VAL  72           HB       VAL  72   7.434   9.775   0.166
  651   1HG1  VAL  72          2HG1      VAL  72   6.351   7.676  -0.030
  652   2HG1  VAL  72          1HG1      VAL  72   4.902   8.527  -0.630
  653   3HG1  VAL  72          3HG1      VAL  72   6.386   8.540  -1.604
  654   1HG2  VAL  72          1HG2      VAL  72   4.859  10.997  -0.776
  655   2HG2  VAL  72          3HG2      VAL  72   6.351  11.817  -0.254
  656   3HG2  VAL  72          2HG2      VAL  72   6.334  10.814  -1.730
  657    MG1  VAL  72           QG1      VAL  72   5.880   8.248  -0.754
  658    MG2  VAL  72           QG2      VAL  72   5.848  11.209  -0.920
  659    QG   VAL  72           QQG      VAL  72   5.864   9.728  -0.837
  660    H    ALA  73           H        ALA  73   7.882  10.748   2.459
  661    HA   ALA  73           HA       ALA  73   9.120   8.373   3.251
  662   1HB   ALA  73          3HB       ALA  73   9.747  11.137   4.113
  663   2HB   ALA  73          2HB       ALA  73  10.759   9.645   4.237
  664   3HB   ALA  73          1HB       ALA  73  10.359  10.319   2.641
  665    MB   ALA  73           QB       ALA  73  10.288  10.367   3.664
  666    H    GLU  74           H        GLU  74   7.272  10.737   5.059
  667    HA   GLU  74           HA       GLU  74   7.648   9.728   7.721
  668   1HB   GLU  74          2HB       GLU  74   6.323  11.799   6.761
  669   2HB   GLU  74          1HB       GLU  74   4.969  10.691   6.695
  670   1HG   GLU  74          2HG       GLU  74   6.499  11.516   9.157
  671   2HG   GLU  74          1HG       GLU  74   4.938  12.153   8.675
  672    QB   GLU  74           QB       GLU  74   5.646  11.245   6.728
  673    QG   GLU  74           QG       GLU  74   5.719  11.835   8.916
  674    H    VAL  75           H        VAL  75   5.378   9.014   5.208
  675    HA   VAL  75           HA       VAL  75   4.165   6.786   6.306
  676    HB   VAL  75           HB       VAL  75   4.645   7.674   3.448
  677   1HG1  VAL  75          2HG1      VAL  75   2.986   5.328   4.351
  678   2HG1  VAL  75          1HG1      VAL  75   3.018   6.044   2.726
  679   3HG1  VAL  75          3HG1      VAL  75   4.469   5.291   3.376
  680   1HG2  VAL  75          1HG2      VAL  75   3.133   9.035   4.752
  681   2HG2  VAL  75          3HG2      VAL  75   2.255   8.162   3.500
  682   3HG2  VAL  75          2HG2      VAL  75   2.180   7.611   5.174
  683    MG1  VAL  75           QG1      VAL  75   3.491   5.554   3.484
  684    MG2  VAL  75           QG2      VAL  75   2.523   8.270   4.475
  685    QG   VAL  75           QQG      VAL  75   3.007   6.912   3.980
  686    H    MET  76           H        MET  76   7.015   6.885   3.993
  687    HA   MET  76           HA       MET  76   7.702   4.266   4.008
  688   1HB   MET  76          2HB       MET  76   9.620   6.600   4.064
  689   2HB   MET  76          1HB       MET  76  10.016   4.980   3.579
  690   1HG   MET  76          2HG       MET  76   7.884   6.412   2.270
  691   2HG   MET  76          1HG       MET  76   9.547   6.791   1.755
  692   1HE   MET  76          2HE       MET  76   6.485   4.733   1.840
  693   2HE   MET  76          1HE       MET  76   6.788   3.278   0.842
  694   3HE   MET  76          3HE       MET  76   7.452   3.384   2.462
  695    QB   MET  76           QB       MET  76   9.818   5.790   3.821
  696    QG   MET  76           QG       MET  76   8.716   6.602   2.013
  697    ME   MET  76           QE       MET  76   6.908   3.798   1.715
  698    H    SER  77           H        SER  77   8.880   6.685   6.360
  699    HA   SER  77           HA       SER  77  10.509   4.912   7.746
  700   1HB   SER  77          2HB       SER  77   9.089   7.343   8.843
  701   2HB   SER  77          1HB       SER  77  10.507   6.545   9.533
  702    HG   SER  77           HG       SER  77  11.678   7.117   7.685
  703    QB   SER  77           QB       SER  77   9.798   6.944   9.188
  704    H    HIS  78           H        HIS  78   7.107   5.608   8.315
  705    HA   HIS  78           HA       HIS  78   7.146   3.707  10.516
  706   1HB   HIS  78          2HB       HIS  78   4.734   4.811   9.040
  707   2HB   HIS  78          1HB       HIS  78   4.654   3.698  10.404
  708    HD1  HIS  78          1HD       HIS  78   4.102   4.892  12.517
  709    HD2  HIS  78          2HD       HIS  78   6.441   7.161   9.945
  710    HE1  HIS  78          1HE       HIS  78   4.399   7.111  13.643
  711    HE2  HIS  78          2HE       HIS  78   5.428   8.525  11.744
  712    QB   HIS  78           QB       HIS  78   4.694   4.254   9.722
  713    H    ILE  79           H        ILE  79   6.205   3.530   7.175
  714    HA   ILE  79           HA       ILE  79   5.265   0.918   7.134
  715    HB   ILE  79           HB       ILE  79   6.187   2.891   5.155
  716   1HG1  ILE  79          2HG1      ILE  79   3.678   1.263   5.489
  717   2HG1  ILE  79          1HG1      ILE  79   3.911   2.978   5.787
  718   1HG2  ILE  79          3HG2      ILE  79   6.078   0.029   4.436
  719   2HG2  ILE  79          2HG2      ILE  79   5.825   1.309   3.242
  720   3HG2  ILE  79          1HG2      ILE  79   7.346   1.205   4.145
  721   1HD1  ILE  79          1HD1      ILE  79   4.298   3.281   3.367
  722   2HD1  ILE  79          3HD1      ILE  79   3.895   1.582   3.128
  723   3HD1  ILE  79          2HD1      ILE  79   2.679   2.692   3.762
  724    MG   ILE  79           QG2      ILE  79   6.417   0.848   3.941
  725    MD   ILE  79           QD1      ILE  79   3.624   2.518   3.419
  726    QG   ILE  79           QG1      ILE  79   3.795   2.121   5.638
  727    H    GLN  80           H        GLN  80   8.551   2.037   6.382
  728    HA   GLN  80           HA       GLN  80   9.644  -0.509   6.050
  729   1HB   GLN  80          2HB       GLN  80  10.920   2.166   6.602
  730   2HB   GLN  80          1HB       GLN  80  11.784   0.727   6.053
  731   1HG   GLN  80          2HG       GLN  80   9.592   2.160   4.443
  732   2HG   GLN  80          1HG       GLN  80  11.265   2.171   4.121
  733   1HE2  GLN  80          1HE2      GLN  80   8.618   0.100   4.246
  734   2HE2  GLN  80          2HE2      GLN  80   9.417  -1.027   3.190
  735    QB   GLN  80           QB       GLN  80  11.352   1.447   6.327
  736    QG   GLN  80           QG       GLN  80  10.429   2.166   4.282
  737    QE   GLN  80           QE2      GLN  80   9.017  -0.463   3.718
  738    H    ARG  81           H        ARG  81   8.580   0.907   8.848
  739    HA   ARG  81           HA       ARG  81  10.335  -0.768  10.504
  740   1HB   ARG  81          2HB       ARG  81   8.472   1.495  11.198
  741   2HB   ARG  81          1HB       ARG  81   9.193   0.408  12.374
  742   1HG   ARG  81          2HG       ARG  81  11.349   1.116  11.813
  743   2HG   ARG  81          1HG       ARG  81  10.730   2.196  10.543
  744   1HD   ARG  81          2HD       ARG  81  11.229   3.348  12.718
  745   2HD   ARG  81          1HD       ARG  81   9.552   3.506  12.189
  746    HE   ARG  81           HE       ARG  81   8.971   1.784  13.769
  747   1HH1  ARG  81          1HH1      ARG  81  12.129   3.324  14.283
  748   2HH1  ARG  81          2HH1      ARG  81  12.219   2.930  15.925
  749   1HH2  ARG  81          1HH2      ARG  81   9.078   1.264  16.049
  750   2HH2  ARG  81          2HH2      ARG  81  10.424   1.734  16.952
  751    QB   ARG  81           QB       ARG  81   8.833   0.951  11.786
  752    QG   ARG  81           QG       ARG  81  11.039   1.656  11.178
  753    QD   ARG  81           QD       ARG  81  10.391   3.427  12.453
  754    QH1  ARG  81           QH1      ARG  81  12.174   3.127  15.104
  755    QH2  ARG  81           QH2      ARG  81   9.751   1.499  16.501
  756    H    ASP  82           H        ASP  82   7.856  -1.444   8.768
  757    HA   ASP  82           HA       ASP  82   5.841  -2.198  10.712
  758   1HB   ASP  82          2HB       ASP  82   5.614  -1.438   8.190
  759   2HB   ASP  82          1HB       ASP  82   5.838  -3.128   7.897
  760    QB   ASP  82           QB       ASP  82   5.726  -2.283   8.043
  761    H    ARG  83           H        ARG  83   5.101  -4.481   9.124
  762    HA   ARG  83           HA       ARG  83   6.841  -6.703   9.514
  763   1HB   ARG  83          2HB       ARG  83   5.525  -7.538  11.519
  764   2HB   ARG  83          1HB       ARG  83   6.614  -6.189  11.830
  765   1HG   ARG  83          2HG       ARG  83   4.639  -4.676  11.416
  766   2HG   ARG  83          1HG       ARG  83   3.620  -6.102  11.556
  767   1HD   ARG  83          2HD       ARG  83   3.682  -5.079  13.732
  768   2HD   ARG  83          1HD       ARG  83   4.669  -6.535  13.802
  769    HE   ARG  83           HE       ARG  83   6.635  -5.116  13.570
  770   1HH1  ARG  83          1HH1      ARG  83   3.645  -3.517  14.597
  771   2HH1  ARG  83          2HH1      ARG  83   4.431  -2.265  15.433
  772   1HH2  ARG  83          1HH2      ARG  83   7.717  -3.359  14.735
  773   2HH2  ARG  83          2HH2      ARG  83   6.755  -2.177  15.501
  774    QB   ARG  83           QB       ARG  83   6.070  -6.864  11.674
  775    QG   ARG  83           QG       ARG  83   4.130  -5.389  11.486
  776    QD   ARG  83           QD       ARG  83   4.176  -5.807  13.767
  777    QH1  ARG  83           QH1      ARG  83   4.038  -2.891  15.015
  778    QH2  ARG  83           QH2      ARG  83   7.236  -2.768  15.118
  779    H    ARG  84           H        ARG  84   3.508  -5.370   9.357
  780    HA   ARG  84           HA       ARG  84   1.942  -7.620   8.860
  781   1HB   ARG  84          2HB       ARG  84   1.548  -4.837   7.800
  782   2HB   ARG  84          1HB       ARG  84   0.312  -6.028   8.136
  783   1HG   ARG  84          2HG       ARG  84   0.664  -5.828  10.495
  784   2HG   ARG  84          1HG       ARG  84   2.080  -4.797  10.247
  785   1HD   ARG  84          2HD       ARG  84   0.487  -3.317   8.932
  786   2HD   ARG  84          1HD       ARG  84  -0.786  -4.236   9.739
  787    HE   ARG  84           HE       ARG  84   1.284  -2.968  11.352
  788   1HH1  ARG  84          1HH1      ARG  84  -2.109  -3.332  10.584
  789   2HH1  ARG  84          2HH1      ARG  84  -2.662  -1.969  11.457
  790   1HH2  ARG  84          1HH2      ARG  84   0.618  -1.110  12.691
  791   2HH2  ARG  84          2HH2      ARG  84  -1.021  -0.680  12.770
  792    QB   ARG  84           QB       ARG  84   0.930  -5.432   7.968
  793    QG   ARG  84           QG       ARG  84   1.372  -5.313  10.371
  794    QD   ARG  84           QD       ARG  84  -0.149  -3.776   9.335
  795    QH1  ARG  84           QH1      ARG  84  -2.386  -2.651  11.021
  796    QH2  ARG  84           QH2      ARG  84  -0.202  -0.895  12.731
  797    H    HIS  85           H        HIS  85   3.133  -5.268   6.699
  798    HA   HIS  85           HA       HIS  85   2.818  -6.997   4.408
  799   1HB   HIS  85          2HB       HIS  85   3.770  -5.040   3.035
  800   2HB   HIS  85          1HB       HIS  85   2.171  -4.828   3.701
  801    HD1  HIS  85          1HD       HIS  85   3.219  -2.232   2.988
  802    HD2  HIS  85          2HD       HIS  85   4.461  -3.892   6.593
  803    HE1  HIS  85          1HE       HIS  85   4.146  -0.440   4.394
  804    HE2  HIS  85          2HE       HIS  85   4.091  -1.494   6.641
  805    QB   HIS  85           QB       HIS  85   2.971  -4.934   3.368
  806    H    SER  86           H        SER  86   4.112  -8.439   4.216
  807    HA   SER  86           HA       SER  86   5.906  -9.331   5.712
  808   1HB   SER  86          2HB       SER  86   4.940 -10.211   3.600
  809   2HB   SER  86          1HB       SER  86   6.312  -9.568   2.802
  810    HG   SER  86           HG       SER  86   7.457 -10.868   4.734
  811    QB   SER  86           QB       SER  86   5.626  -9.889   3.201
  812    H    ASN  87           H        ASN  87   7.296  -7.630   3.136
  813    HA   ASN  87           HA       ASN  87   9.560  -7.147   4.941
  814   1HB   ASN  87          2HB       ASN  87   9.981  -7.299   1.961
  815   2HB   ASN  87          1HB       ASN  87  11.218  -7.283   3.192
  816   1HD2  ASN  87          1HD2      ASN  87  10.798  -9.048   0.991
  817   2HD2  ASN  87          2HD2      ASN  87  10.639 -10.632   1.657
  818    QB   ASN  87           QB       ASN  87  10.600  -7.291   2.577
  819    QD   ASN  87           QD2      ASN  87  10.719  -9.840   1.324
  820    H    VAL  88           H        VAL  88   7.390  -5.784   3.135
  821    HA   VAL  88           HA       VAL  88   7.441  -4.251   1.539
  822    HB   VAL  88           HB       VAL  88   6.155  -3.483   3.229
  823   1HG1  VAL  88          2HG1      VAL  88   7.560  -3.529   5.076
  824   2HG1  VAL  88          1HG1      VAL  88   8.434  -2.049   4.514
  825   3HG1  VAL  88          3HG1      VAL  88   6.685  -1.964   4.841
  826   1HG2  VAL  88          3HG2      VAL  88   6.579  -1.961   1.346
  827   2HG2  VAL  88          2HG2      VAL  88   6.055  -1.124   2.808
  828   3HG2  VAL  88          1HG2      VAL  88   7.750  -1.105   2.341
  829    MG1  VAL  88           QG1      VAL  88   7.560  -2.514   4.810
  830    MG2  VAL  88           QG2      VAL  88   6.795  -1.397   2.165
  831    QG   VAL  88           QQG      VAL  88   7.177  -1.955   3.488
  832    H    GLU  89           H        GLU  89   8.924  -4.547   0.232
  833    HA   GLU  89           HA       GLU  89  11.302  -2.872   0.517
  834   1HB   GLU  89          2HB       GLU  89  10.692  -5.035  -1.483
  835   2HB   GLU  89          1HB       GLU  89  12.232  -4.204  -1.294
  836   1HG   GLU  89          2HG       GLU  89  12.624  -5.148   0.805
  837   2HG   GLU  89          1HG       GLU  89  10.905  -5.594   0.846
  838    QB   GLU  89           QB       GLU  89  11.462  -4.619  -1.388
  839    QG   GLU  89           QG       GLU  89  11.765  -5.371   0.826
  840    H    ILE  90           H        ILE  90  10.405  -0.988   0.083
  841    HA   ILE  90           HA       ILE  90   8.950   0.018  -2.035
  842    HB   ILE  90           HB       ILE  90  11.515   1.362  -1.318
  843   1HG1  ILE  90          2HG1      ILE  90  10.831   0.576   0.838
  844   2HG1  ILE  90          1HG1      ILE  90  10.504   2.296   0.743
  845   1HG2  ILE  90          3HG2      ILE  90   8.685   2.373  -1.605
  846   2HG2  ILE  90          2HG2      ILE  90  10.038   3.381  -1.222
  847   3HG2  ILE  90          1HG2      ILE  90   9.961   2.586  -2.817
  848   1HD1  ILE  90          1HD1      ILE  90   8.178   1.827   0.270
  849   2HD1  ILE  90          3HD1      ILE  90   8.508   0.101   0.409
  850   3HD1  ILE  90          2HD1      ILE  90   8.693   1.150   1.826
  851    MG   ILE  90           QG2      ILE  90   9.561   2.780  -1.881
  852    MD   ILE  90           QD1      ILE  90   8.459   1.026   0.835
  853    QG   ILE  90           QG1      ILE  90  10.667   1.436   0.790
  854    H    LEU  91           H        LEU  91  12.290   0.138  -2.219
  855    HA   LEU  91           HA       LEU  91  13.795  -0.455  -3.729
  856   1HB   LEU  91          2HB       LEU  91  11.587  -2.037  -5.030
  857   2HB   LEU  91          1HB       LEU  91  13.271  -2.115  -5.504
  858    HG   LEU  91           HG       LEU  91  12.157  -3.022  -2.803
  859   1HD1  LEU  91          3HD1      LEU  91  11.548  -4.463  -4.661
  860   2HD1  LEU  91          2HD1      LEU  91  13.237  -4.559  -5.145
  861   3HD1  LEU  91          1HD1      LEU  91  12.724  -5.231  -3.595
  862   1HD2  LEU  91          2HD2      LEU  91  14.945  -3.167  -3.947
  863   2HD2  LEU  91          1HD2      LEU  91  14.433  -2.115  -2.632
  864   3HD2  LEU  91          3HD2      LEU  91  14.398  -3.864  -2.423
  865    MD1  LEU  91           QD1      LEU  91  12.503  -4.751  -4.467
  866    MD2  LEU  91           QD2      LEU  91  14.592  -3.049  -3.001
  867    QB   LEU  91           QB       LEU  91  12.429  -2.076  -5.267
  868    QD   LEU  91           QQD      LEU  91  13.547  -3.900  -3.734
  869    H    ALA  92           H        ALA  92  10.790   0.942  -4.790
  870    HA   ALA  92           HA       ALA  92  12.293   2.359  -6.887
  871   1HB   ALA  92          1HB       ALA  92  10.817   0.831  -8.014
  872   2HB   ALA  92          2HB       ALA  92  10.149   2.483  -8.162
  873   3HB   ALA  92          3HB       ALA  92   9.480   1.348  -6.993
  874    MB   ALA  92           QB       ALA  92  10.149   1.554  -7.723
  875    H    GLU  93           H        GLU  93  12.500   4.368  -6.256
  876    HA   GLU  93           HA       GLU  93  10.168   5.756  -5.155
  877   1HB   GLU  93          2HB       GLU  93  13.072   6.278  -4.366
  878   2HB   GLU  93          1HB       GLU  93  11.616   7.023  -3.717
  879   1HG   GLU  93          2HG       GLU  93  10.921   5.143  -2.673
  880   2HG   GLU  93          1HG       GLU  93  12.144   4.128  -3.451
  881    QB   GLU  93           QB       GLU  93  12.344   6.650  -4.041
  882    QG   GLU  93           QG       GLU  93  11.532   4.636  -3.062
  883    H    GLU  94           H        GLU  94   9.575   7.093  -6.729
  884    HA   GLU  94           HA       GLU  94  11.680   8.375  -8.334
  885   1HB   GLU  94          2HB       GLU  94  10.105   8.263 -10.265
  886   2HB   GLU  94          1HB       GLU  94  10.672   6.690  -9.718
  887   1HG   GLU  94          2HG       GLU  94   8.602   6.322  -8.538
  888   2HG   GLU  94          1HG       GLU  94   8.004   7.914  -9.032
  889    QB   GLU  94           QB       GLU  94  10.389   7.477  -9.991
  890    QG   GLU  94           QG       GLU  94   8.303   7.118  -8.785
  891    H    SER  95           H        SER  95  11.324  10.521  -8.930
  892    HA   SER  95           HA       SER  95   9.427  11.954  -7.297
  893   1HB   SER  95          2HB       SER  95  11.383  12.989  -9.360
  894   2HB   SER  95          1HB       SER  95  10.518  13.936  -8.145
  895    HG   SER  95           HG       SER  95  12.821  12.629  -7.957
  896    QB   SER  95           QB       SER  95  10.951  13.462  -8.753
  897    H    ILE  96           H        ILE  96   7.507  12.554  -7.947
  898    HA   ILE  96           HA       ILE  96   6.809  12.349 -10.842
  899    HB   ILE  96           HB       ILE  96   4.612  11.822 -10.224
  900   1HG1  ILE  96          2HG1      ILE  96   5.606  11.196  -7.463
  901   2HG1  ILE  96          1HG1      ILE  96   4.926  12.764  -7.832
  902   1HG2  ILE  96          3HG2      ILE  96   6.192  10.090 -10.866
  903   2HG2  ILE  96          2HG2      ILE  96   6.724   9.923  -9.193
  904   3HG2  ILE  96          1HG2      ILE  96   5.089   9.439  -9.644
  905   1HD1  ILE  96          1HD1      ILE  96   3.485  10.165  -8.176
  906   2HD1  ILE  96          3HD1      ILE  96   3.422  11.221  -6.762
  907   3HD1  ILE  96          2HD1      ILE  96   2.854  11.837  -8.291
  908    MG   ILE  96           QG2      ILE  96   6.002   9.817  -9.901
  909    MD   ILE  96           QD1      ILE  96   3.254  11.074  -7.743
  910    QG   ILE  96           QG1      ILE  96   5.266  11.980  -7.647
  911    H    ALA  97           H        ALA  97   4.773  13.375 -11.444
  912    HA   ALA  97           HA       ALA  97   4.536  15.994 -10.191
  913   1HB   ALA  97          2HB       ALA  97   4.987  16.019 -12.583
  914   2HB   ALA  97          3HB       ALA  97   3.366  16.688 -12.164
  915   3HB   ALA  97          1HB       ALA  97   3.495  15.049 -12.787
  916    MB   ALA  97           QB       ALA  97   3.949  15.919 -12.511
  917    H    LYS  98           H        LYS  98   3.357  13.266 -10.075
  918    HA   LYS  98           HA       LYS  98   1.465  12.158  -9.421
  919   1HB   LYS  98          2HB       LYS  98   2.247  13.805  -7.769
  920   2HB   LYS  98          1HB       LYS  98   0.916  14.797  -8.278
  921   1HG   LYS  98          2HG       LYS  98   0.146  12.105  -7.654
  922   2HG   LYS  98          1HG       LYS  98   1.094  12.913  -6.427
  923   1HD   LYS  98          2HD       LYS  98  -0.815  14.717  -7.315
  924   2HD   LYS  98          1HD       LYS  98  -1.626  13.218  -6.751
  925   1HE   LYS  98          2HE       LYS  98  -0.093  13.260  -4.929
  926   2HE   LYS  98          1HE       LYS  98   0.414  14.884  -5.451
  927   1HZ   LYS  98          1HZ       LYS  98  -2.406  14.188  -4.778
  928   2HZ   LYS  98          3HZ       LYS  98  -1.401  14.866  -3.631
  929   3HZ   LYS  98          2HZ       LYS  98  -1.829  15.730  -5.044
  930    QB   LYS  98           QB       LYS  98   1.582  14.301  -8.024
  931    QD   LYS  98           QD       LYS  98  -1.221  13.968  -7.033
  932    QG   LYS  98           QG       LYS  98   0.620  12.509  -7.040
  933    QE   LYS  98           QE       LYS  98   0.161  14.072  -5.190
  934    QZ   LYS  98           QZ       LYS  98  -1.879  14.928  -4.484
  935    H    ARG  99           H        ARG  99  -1.003  12.886  -8.994
  936    HA   ARG  99           HA       ARG  99  -3.003  13.618  -9.733
  937   1HB   ARG  99          2HB       ARG  99  -1.807  15.619 -10.790
  938   2HB   ARG  99          1HB       ARG  99  -1.637  14.686 -12.242
  939   1HG   ARG  99          2HG       ARG  99  -3.484  16.187 -12.514
  940   2HG   ARG  99          1HG       ARG  99  -4.126  14.549 -12.393
  941   1HD   ARG  99          2HD       ARG  99  -4.637  14.929 -10.021
  942   2HD   ARG  99          1HD       ARG  99  -4.008  16.572 -10.154
  943    HE   ARG  99           HE       ARG  99  -6.132  15.876 -11.975
  944   1HH1  ARG  99          1HH1      ARG  99  -5.239  17.514  -8.947
  945   2HH1  ARG  99          2HH1      ARG  99  -6.756  18.270  -8.783
  946   1HH2  ARG  99          1HH2      ARG  99  -8.205  16.972 -11.707
  947   2HH2  ARG  99          2HH2      ARG  99  -8.447  17.968 -10.342
  948    QB   ARG  99           QB       ARG  99  -1.722  15.153 -11.516
  949    QG   ARG  99           QG       ARG  99  -3.805  15.368 -12.453
  950    QD   ARG  99           QD       ARG  99  -4.322  15.750 -10.088
  951    QH1  ARG  99           QH1      ARG  99  -5.997  17.892  -8.865
  952    QH2  ARG  99           QH2      ARG  99  -8.326  17.470 -11.025
  953    H    ARG 100           H        ARG 100  -1.843  11.058 -10.012
  954    HA   ARG 100           HA       ARG 100  -3.075  10.188 -12.489
  955   1HB   ARG 100          2HB       ARG 100  -1.341   8.670 -10.578
  956   2HB   ARG 100          1HB       ARG 100  -1.920   8.102 -12.144
  957   1HG   ARG 100          2HG       ARG 100  -0.738   9.960 -13.210
  958   2HG   ARG 100          1HG       ARG 100  -0.108  10.422 -11.624
  959   1HD   ARG 100          2HD       ARG 100   1.533   9.080 -12.866
  960   2HD   ARG 100          1HD       ARG 100   0.951   8.175 -11.463
  961    HE   ARG 100           HE       ARG 100  -0.708   7.311 -13.341
  962   1HH1  ARG 100          1HH1      ARG 100   2.786   7.698 -13.522
  963   2HH1  ARG 100          2HH1      ARG 100   3.011   6.428 -14.629
  964   1HH2  ARG 100          1HH2      ARG 100  -0.426   5.609 -14.835
  965   2HH2  ARG 100          2HH2      ARG 100   1.131   5.208 -15.410
  966    QB   ARG 100           QB       ARG 100  -1.630   8.386 -11.361
  967    QG   ARG 100           QG       ARG 100  -0.423  10.191 -12.417
  968    QD   ARG 100           QD       ARG 100   1.242   8.628 -12.164
  969    QH1  ARG 100           QH1      ARG 100   2.898   7.063 -14.075
  970    QH2  ARG 100           QH2      ARG 100   0.353   5.409 -15.122
  971    H    PHE 101           H        PHE 101  -3.197   9.376  -8.958
  972    HA   PHE 101           HA       PHE 101  -5.678   8.071  -9.704
  973   1HB   PHE 101          2HB       PHE 101  -3.730   7.351  -7.570
  974   2HB   PHE 101          1HB       PHE 101  -5.415   6.860  -7.400
  975    HD1  PHE 101          1HD       PHE 101  -6.041   4.835  -8.269
  976    HD2  PHE 101          2HD       PHE 101  -2.677   6.812  -9.953
  977    HE1  PHE 101          1HE       PHE 101  -5.668   2.921  -9.767
  978    HE2  PHE 101          2HE       PHE 101  -2.298   4.904 -11.454
  979    HZ   PHE 101           HZ       PHE 101  -3.795   2.953 -11.363
  980    QB   PHE 101           QB       PHE 101  -4.572   7.106  -7.485
  981    QD   PHE 101           QD       PHE 101  -4.359   5.824  -9.111
  982    QE   PHE 101           QE       PHE 101  -3.983   3.912 -10.610
  983    QR   PHE 101           QR       PHE 101  -4.096   4.485 -10.161
  984    H    ALA 102           H        ALA 102  -4.647  10.589  -8.128
  985    HA   ALA 102           HA       ALA 102  -5.598  12.326  -6.927
  986   1HB   ALA 102          2HB       ALA 102  -7.124  12.334  -8.870
  987   2HB   ALA 102          3HB       ALA 102  -7.880  12.959  -7.408
  988   3HB   ALA 102          1HB       ALA 102  -8.250  11.326  -7.960
  989    MB   ALA 102           QB       ALA 102  -7.752  12.206  -8.079
  990    H    GLY 103           H        GLY 103  -6.585   9.273  -6.022
  991   1HA   GLY 103          1HA       GLY 103  -8.063   9.244  -3.828
  992   2HA   GLY 103          2HA       GLY 103  -6.641  10.121  -3.246
  993    QA   GLY 103           QA       GLY 103  -7.352   9.682  -3.537
  994    H    TRP 104           H        TRP 104  -6.417   8.100  -1.838
  995    HA   TRP 104           HA       TRP 104  -4.873   6.126  -3.286
  996   1HB   TRP 104          2HB       TRP 104  -3.749   6.852  -1.312
  997   2HB   TRP 104          1HB       TRP 104  -5.200   6.737  -0.355
  998    HD1  TRP 104           HD       TRP 104  -2.228   4.631  -1.518
  999    HE1  TRP 104          1HE       TRP 104  -2.292   2.424  -0.274
 1000    HE3  TRP 104          3HE       TRP 104  -6.838   5.078   0.686
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.140   1.047   1.467
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.622   3.465   1.999
 1003    HH2  TRP 104           HH       TRP 104  -6.412   1.465   2.456
 1004    QB   TRP 104           QB       TRP 104  -4.474   6.794  -0.833
 1005    H    HIS 105           H        HIS 105  -5.336   3.982  -3.515
 1006    HA   HIS 105           HA       HIS 105  -8.176   3.352  -3.058
 1007   1HB   HIS 105          2HB       HIS 105  -6.351   2.898  -5.384
 1008   2HB   HIS 105          1HB       HIS 105  -7.920   2.092  -5.237
 1009    HD1  HIS 105          1HD       HIS 105  -6.331   5.468  -5.857
 1010    HD2  HIS 105          2HD       HIS 105 -10.067   3.670  -5.941
 1011    HE1  HIS 105          1HE       HIS 105  -7.837   7.087  -7.044
 1012    HE2  HIS 105          2HE       HIS 105 -10.117   6.035  -6.947
 1013    QB   HIS 105           QB       HIS 105  -7.136   2.495  -5.310
 1014    H    MET 106           H        MET 106  -8.565   1.234  -2.334
 1015    HA   MET 106           HA       MET 106  -6.195  -0.461  -2.223
 1016   1HB   MET 106          2HB       MET 106  -6.811   0.281   0.064
 1017   2HB   MET 106          1HB       MET 106  -8.409  -0.430  -0.149
 1018   1HG   MET 106          2HG       MET 106  -7.491  -2.627  -0.314
 1019   2HG   MET 106          1HG       MET 106  -5.855  -1.989  -0.360
 1020   1HE   MET 106          2HE       MET 106  -6.582  -4.363   1.444
 1021   2HE   MET 106          1HE       MET 106  -4.991  -3.643   1.504
 1022   3HE   MET 106          3HE       MET 106  -5.886  -3.914   3.005
 1023    QB   MET 106           QB       MET 106  -7.610  -0.074  -0.043
 1024    QG   MET 106           QG       MET 106  -6.673  -2.308  -0.337
 1025    ME   MET 106           QE       MET 106  -5.820  -3.973   1.985
 1026    H    GLN 107           H        GLN 107  -6.322  -2.181  -3.397
 1027    HA   GLN 107           HA       GLN 107  -8.684  -2.831  -4.831
 1028   1HB   GLN 107          2HB       GLN 107  -6.282  -3.102  -5.601
 1029   2HB   GLN 107          1HB       GLN 107  -6.207  -4.518  -4.572
 1030   1HG   GLN 107          2HG       GLN 107  -6.604  -5.188  -6.845
 1031   2HG   GLN 107          1HG       GLN 107  -8.023  -5.541  -5.859
 1032   1HE2  GLN 107          1HE2      GLN 107  -7.263  -2.288  -6.952
 1033   2HE2  GLN 107          2HE2      GLN 107  -8.562  -2.164  -8.053
 1034    QB   GLN 107           QB       GLN 107  -6.244  -3.810  -5.086
 1035    QG   GLN 107           QG       GLN 107  -7.313  -5.365  -6.352
 1036    QE   GLN 107           QE2      GLN 107  -7.912  -2.226  -7.503
 1037    H    LEU 108           H        LEU 108  -7.219  -4.103  -1.934
 1038    HA   LEU 108           HA       LEU 108  -9.126  -6.309  -1.974
 1039   1HB   LEU 108          2HB       LEU 108  -6.794  -6.941  -1.620
 1040   2HB   LEU 108          1HB       LEU 108  -6.713  -5.921  -0.194
 1041    HG   LEU 108           HG       LEU 108  -8.554  -7.382   0.776
 1042   1HD1  LEU 108          2HD1      LEU 108  -7.773  -9.172  -1.507
 1043   2HD1  LEU 108          1HD1      LEU 108  -8.759  -9.639  -0.122
 1044   3HD1  LEU 108          3HD1      LEU 108  -9.347  -8.415  -1.246
 1045   1HD2  LEU 108          2HD2      LEU 108  -5.873  -8.635   0.200
 1046   2HD2  LEU 108          1HD2      LEU 108  -6.248  -7.536   1.522
 1047   3HD2  LEU 108          3HD2      LEU 108  -6.989  -9.136   1.474
 1048    MD1  LEU 108           QD1      LEU 108  -8.626  -9.075  -0.958
 1049    MD2  LEU 108           QD2      LEU 108  -6.370  -8.436   1.065
 1050    QB   LEU 108           QB       LEU 108  -6.753  -6.431  -0.907
 1051    QD   LEU 108           QQD      LEU 108  -7.498  -8.755   0.054
 1052    H    SER 109           H        SER 109 -10.893  -4.987  -1.443
 1053    HA   SER 109           HA       SER 109 -10.892  -4.104   1.349
 1054   1HB   SER 109          2HB       SER 109 -11.676  -2.453  -0.366
 1055   2HB   SER 109          1HB       SER 109 -12.935  -3.587  -0.847
 1056    HG   SER 109           HG       SER 109 -13.170  -3.367   1.719
 1057    QB   SER 109           QB       SER 109 -12.305  -3.020  -0.607
 1058    H    CYS 110           H        CYS 110 -11.529  -6.630  -0.607
 1059    HA   CYS 110           HA       CYS 110 -12.769  -8.275   1.290
 1060   1HB   CYS 110          2HB       CYS 110 -14.760  -6.922   0.501
 1061   2HB   CYS 110          1HB       CYS 110 -14.408  -7.441  -1.136
 1062    HG   CYS 110           HG       CYS 110 -16.480  -8.960  -0.586
 1063    QB   CYS 110           QB       CYS 110 -14.584  -7.181  -0.317
 1064    H    SER 111           H        SER 111 -12.283 -10.426   0.572
 1065    HA   SER 111           HA       SER 111 -10.506 -10.824  -1.555
 1066   1HB   SER 111          2HB       SER 111 -12.423 -12.873  -0.392
 1067   2HB   SER 111          1HB       SER 111 -10.813 -13.159  -1.060
 1068    HG   SER 111           HG       SER 111 -10.222 -13.015   0.930
 1069    QB   SER 111           QB       SER 111 -11.618 -13.016  -0.726
 1070    H    GLU 112           H        GLU 112 -13.853 -11.669  -1.135
 1071    HA   GLU 112           HA       GLU 112 -15.016 -10.538  -3.215
 1072   1HB   GLU 112          2HB       GLU 112 -15.660 -12.649  -4.628
 1073   2HB   GLU 112          1HB       GLU 112 -14.126 -11.885  -4.956
 1074   1HG   GLU 112          2HG       GLU 112 -13.947 -14.310  -5.042
 1075   2HG   GLU 112          1HG       GLU 112 -12.981 -13.661  -3.726
 1076    QB   GLU 112           QB       GLU 112 -14.893 -12.267  -4.792
 1077    QG   GLU 112           QG       GLU 112 -13.464 -13.986  -4.384
 1078    H    ALA 113           H        ALA 113 -14.957 -13.478  -1.294
 1079    HA   ALA 113           HA       ALA 113 -16.294 -14.311   0.295
 1080   1HB   ALA 113          3HB       ALA 113 -15.766 -12.154   1.333
 1081   2HB   ALA 113          1HB       ALA 113 -17.359 -12.746   1.800
 1082   3HB   ALA 113          2HB       ALA 113 -17.210 -11.459   0.600
 1083    MB   ALA 113           QB       ALA 113 -16.778 -12.120   1.244
 1084    H    ASP 114           H        ASP 114 -17.303 -14.255  -2.390
 1085    HA   ASP 114           HA       ASP 114 -20.201 -14.411  -1.834
 1086   1HB   ASP 114          2HB       ASP 114 -19.724 -12.298  -2.997
 1087   2HB   ASP 114          1HB       ASP 114 -18.939 -13.187  -4.295
 1088    QB   ASP 114           QB       ASP 114 -19.331 -12.742  -3.646
 1089    H    MET 115           H        MET 115 -17.494 -15.300  -3.845
 1090    HA   MET 115           HA       MET 115 -18.972 -17.519  -5.026
 1091   1HB   MET 115          2HB       MET 115 -17.643 -15.968  -6.458
 1092   2HB   MET 115          1HB       MET 115 -16.201 -16.436  -5.573
 1093   1HG   MET 115          2HG       MET 115 -16.471 -18.730  -6.374
 1094   2HG   MET 115          1HG       MET 115 -17.901 -18.240  -7.275
 1095   1HE   MET 115          2HE       MET 115 -17.882 -16.567  -9.302
 1096   2HE   MET 115          1HE       MET 115 -17.036 -15.333  -8.370
 1097   3HE   MET 115          3HE       MET 115 -16.433 -15.809  -9.960
 1098    QB   MET 115           QB       MET 115 -16.922 -16.202  -6.016
 1099    QG   MET 115           QG       MET 115 -17.186 -18.485  -6.825
 1100    ME   MET 115           QE       MET 115 -17.117 -15.903  -9.211
 1101    H    ARG 116           H        ARG 116 -16.208 -16.646  -3.065
 1102    HA   ARG 116           HA       ARG 116 -15.003 -17.643  -1.496
 1103   1HB   ARG 116          2HB       ARG 116 -17.345 -19.481  -1.478
 1104   2HB   ARG 116          1HB       ARG 116 -15.893 -19.947  -0.604
 1105   1HG   ARG 116          2HG       ARG 116 -17.397 -18.910   0.927
 1106   2HG   ARG 116          1HG       ARG 116 -16.043 -17.830   0.658
 1107   1HD   ARG 116          2HD       ARG 116 -18.007 -16.517   0.700
 1108   2HD   ARG 116          1HD       ARG 116 -17.460 -16.592  -0.967
 1109    HE   ARG 116           HE       ARG 116 -19.217 -18.324  -1.292
 1110   1HH1  ARG 116          1HH1      ARG 116 -19.556 -16.065   1.426
 1111   2HH1  ARG 116          2HH1      ARG 116 -21.245 -16.021   1.347
 1112   1HH2  ARG 116          1HH2      ARG 116 -21.553 -18.243  -1.382
 1113   2HH2  ARG 116          2HH2      ARG 116 -22.397 -17.271  -0.268
 1114    QB   ARG 116           QB       ARG 116 -16.619 -19.714  -1.041
 1115    QG   ARG 116           QG       ARG 116 -16.720 -18.370   0.792
 1116    QD   ARG 116           QD       ARG 116 -17.734 -16.554  -0.134
 1117    QH1  ARG 116           QH1      ARG 116 -20.401 -16.043   1.386
 1118    QH2  ARG 116           QH2      ARG 116 -21.975 -17.757  -0.825
 1119    H    SER 117           H        SER 117 -15.197 -18.815  -4.470
 1120    HA   SER 117           HA       SER 117 -13.838 -21.288  -4.306
 1121   1HB   SER 117          2HB       SER 117 -14.157 -19.437  -6.666
 1122   2HB   SER 117          1HB       SER 117 -13.683 -21.135  -6.733
 1123    HG   SER 117           HG       SER 117 -15.711 -21.587  -5.671
 1124    QB   SER 117           QB       SER 117 -13.920 -20.286  -6.700
 1125    H    LEU 118           H        LEU 118 -12.634 -18.239  -3.728
 1126    HA   LEU 118           HA       LEU 118 -10.026 -18.581  -4.884
 1127   1HB   LEU 118          2HB       LEU 118 -10.860 -16.841  -2.558
 1128   2HB   LEU 118          1HB       LEU 118  -9.304 -16.784  -3.348
 1129    HG   LEU 118           HG       LEU 118 -11.963 -15.950  -4.500
 1130   1HD1  LEU 118          2HD1      LEU 118 -10.967 -14.372  -2.942
 1131   2HD1  LEU 118          1HD1      LEU 118  -9.458 -14.411  -3.849
 1132   3HD1  LEU 118          3HD1      LEU 118 -10.914 -13.749  -4.591
 1133   1HD2  LEU 118          2HD2      LEU 118  -9.250 -16.025  -5.823
 1134   2HD2  LEU 118          1HD2      LEU 118 -10.641 -17.019  -6.250
 1135   3HD2  LEU 118          3HD2      LEU 118 -10.696 -15.275  -6.501
 1136    MD1  LEU 118           QD1      LEU 118 -10.446 -14.177  -3.794
 1137    MD2  LEU 118           QD2      LEU 118 -10.196 -16.107  -6.191
 1138    QB   LEU 118           QB       LEU 118 -10.082 -16.812  -2.953
 1139    QD   LEU 118           QQD      LEU 118 -10.321 -15.142  -4.993
 1140    H    GLY 119           H        GLY 119 -11.656 -19.793  -2.194
 1141   1HA   GLY 119          1HA       GLY 119  -9.125 -20.704  -1.012
 1142   2HA   GLY 119          2HA       GLY 119 -10.461 -21.812  -1.289
 1143    QA   GLY 119           QA       GLY 119  -9.793 -21.258  -1.151
 1144    H    LEU 120           H        LEU 120 -12.523 -20.002  -0.498
 1145    HA   LEU 120           HA       LEU 120 -11.836 -19.682   2.337
 1146   1HB   LEU 120          2HB       LEU 120 -12.772 -17.673   1.011
 1147   2HB   LEU 120          1HB       LEU 120 -14.249 -18.634   0.947
 1148    HG   LEU 120           HG       LEU 120 -14.543 -18.515   3.339
 1149   1HD1  LEU 120          2HD1      LEU 120 -11.945 -16.979   3.387
 1150   2HD1  LEU 120          1HD1      LEU 120 -13.041 -17.180   4.754
 1151   3HD1  LEU 120          3HD1      LEU 120 -12.237 -18.583   4.063
 1152   1HD2  LEU 120          3HD2      LEU 120 -13.917 -15.806   2.158
 1153   2HD2  LEU 120          2HD2      LEU 120 -15.473 -16.640   2.093
 1154   3HD2  LEU 120          1HD2      LEU 120 -14.845 -16.080   3.631
 1155    MD1  LEU 120           QD1      LEU 120 -12.407 -17.581   4.068
 1156    MD2  LEU 120           QD2      LEU 120 -14.745 -16.175   2.627
 1157    QB   LEU 120           QB       LEU 120 -13.511 -18.154   0.979
 1158    QD   LEU 120           QQD      LEU 120 -13.576 -16.878   3.348
 1159    H    ALA 121           H        ALA 121 -14.225 -20.999   0.081
 1160    HA   ALA 121           HA       ALA 121 -15.497 -22.284   2.267
 1161   1HB   ALA 121          2HB       ALA 121 -16.256 -22.333  -0.663
 1162   2HB   ALA 121          1HB       ALA 121 -17.175 -23.088   0.640
 1163   3HB   ALA 121          3HB       ALA 121 -16.988 -21.337   0.597
 1164    MB   ALA 121           QB       ALA 121 -16.806 -22.253   0.191
 1165    H    GLU 122           H        GLU 122 -13.931 -23.665   2.833
 1166    HA   GLU 122           HA       GLU 122 -13.351 -25.899   1.021
 1167   1HB   GLU 122          2HB       GLU 122 -11.323 -24.589   1.474
 1168   2HB   GLU 122          1HB       GLU 122 -11.636 -24.668   3.198
 1169   1HG   GLU 122          2HG       GLU 122  -9.879 -26.212   2.597
 1170   2HG   GLU 122          1HG       GLU 122 -11.301 -27.089   3.144
 1171    QB   GLU 122           QB       GLU 122 -11.480 -24.629   2.336
 1172    QG   GLU 122           QG       GLU 122 -10.590 -26.651   2.870
 1173    H    SER 123           H        SER 123 -13.342 -27.940   2.082
 1174    HA   SER 123           HA       SER 123 -15.141 -28.054   4.323
 1175   1HB   SER 123          2HB       SER 123 -14.918 -29.786   2.347
 1176   2HB   SER 123          1HB       SER 123 -13.543 -30.397   3.260
 1177    HG   SER 123           HG       SER 123 -16.216 -30.645   3.688
 1178    QB   SER 123           QB       SER 123 -14.231 -30.092   2.804
 1179    H    ARG 124           H        ARG 124 -14.122 -26.999   5.844
 1180    HA   ARG 124           HA       ARG 124 -11.400 -27.174   6.474
 1181   1HB   ARG 124          2HB       ARG 124 -11.812 -25.765   8.414
 1182   2HB   ARG 124          1HB       ARG 124 -12.640 -25.155   7.002
 1183   1HG   ARG 124          2HG       ARG 124 -13.972 -26.710   9.226
 1184   2HG   ARG 124          1HG       ARG 124 -13.909 -24.956   9.124
 1185   1HD   ARG 124          2HD       ARG 124 -15.227 -26.798   7.125
 1186   2HD   ARG 124          1HD       ARG 124 -16.052 -25.860   8.354
 1187    HE   ARG 124           HE       ARG 124 -14.478 -24.176   6.686
 1188   1HH1  ARG 124          1HH1      ARG 124 -17.514 -26.010   6.631
 1189   2HH1  ARG 124          2HH1      ARG 124 -18.319 -24.943   5.594
 1190   1HH2  ARG 124          1HH2      ARG 124 -15.587 -22.695   5.292
 1191   2HH2  ARG 124          2HH2      ARG 124 -17.199 -22.981   4.824
 1192    QB   ARG 124           QB       ARG 124 -12.226 -25.460   7.708
 1193    QG   ARG 124           QG       ARG 124 -13.941 -25.833   9.175
 1194    QD   ARG 124           QD       ARG 124 -15.639 -26.329   7.740
 1195    QH1  ARG 124           QH1      ARG 124 -17.916 -25.476   6.112
 1196    QH2  ARG 124           QH2      ARG 124 -16.393 -22.838   5.058
 1197    H    GLN 125           H        GLN 125 -13.990 -29.160   7.625
 1198    HA   GLN 125           HA       GLN 125 -12.260 -30.182   9.745
 1199   1HB   GLN 125          2HB       GLN 125 -14.667 -29.794  10.251
 1200   2HB   GLN 125          1HB       GLN 125 -15.094 -30.979   9.032
 1201   1HG   GLN 125          2HG       GLN 125 -13.886 -32.700  10.301
 1202   2HG   GLN 125          1HG       GLN 125 -13.541 -31.507  11.547
 1203   1HE2  GLN 125          1HE2      GLN 125 -16.185 -30.250  11.303
 1204   2HE2  GLN 125          2HE2      GLN 125 -17.300 -31.332  12.020
 1205    QB   GLN 125           QB       GLN 125 -14.881 -30.387   9.642
 1206    QG   GLN 125           QG       GLN 125 -13.714 -32.103  10.924
 1207    QE   GLN 125           QE2      GLN 125 -16.742 -30.791  11.661

  No H/Q in entry =        1207
  Start of MODEL   13
    1    H1   LEU   5          2HT       LEU   5  -9.058  25.903 -22.707
    2    H2   LEU   5          1HT       LEU   5 -10.686  26.361 -22.893
    3    H3   LEU   5          3HT       LEU   5  -9.488  27.522 -22.702
    4    HA   LEU   5           HA       LEU   5 -10.624  27.364 -20.720
    5   1HB   LEU   5          2HB       LEU   5 -10.050  24.419 -20.978
    6   2HB   LEU   5          1HB       LEU   5 -10.162  25.129 -19.390
    7    HG   LEU   5           HG       LEU   5 -12.472  25.769 -19.783
    8   1HD1  LEU   5          2HD1      LEU   5 -12.312  26.280 -22.100
    9   2HD1  LEU   5          1HD1      LEU   5 -12.156  24.571 -22.519
   10   3HD1  LEU   5          3HD1      LEU   5 -13.665  25.178 -21.802
   11   1HD2  LEU   5          2HD2      LEU   5 -12.025  23.539 -18.929
   12   2HD2  LEU   5          1HD2      LEU   5 -13.464  23.557 -19.950
   13   3HD2  LEU   5          3HD2      LEU   5 -11.946  22.917 -20.578
   14    MD1  LEU   5           QD1      LEU   5 -12.711  25.343 -22.140
   15    MD2  LEU   5           QD2      LEU   5 -12.478  23.338 -19.819
   16    QB   LEU   5           QB       LEU   5 -10.106  24.774 -20.184
   17    QD   LEU   5           QQD      LEU   5 -12.595  24.340 -20.980
   18    H    GLU   6           H        GLU   6  -9.395  27.086 -18.551
   19    HA   GLU   6           HA       GLU   6  -6.775  28.035 -18.935
   20   1HB   GLU   6          2HB       GLU   6  -8.167  28.714 -16.957
   21   2HB   GLU   6          1HB       GLU   6  -8.050  27.014 -16.483
   22   1HG   GLU   6          2HG       GLU   6  -6.667  28.590 -15.247
   23   2HG   GLU   6          1HG       GLU   6  -5.753  27.242 -15.953
   24    QB   GLU   6           QB       GLU   6  -8.108  27.864 -16.720
   25    QG   GLU   6           QG       GLU   6  -6.210  27.916 -15.600
   26    H    ALA   7           H        ALA   7  -4.899  27.086 -18.337
   27    HA   ALA   7           HA       ALA   7  -4.676  24.356 -19.172
   28   1HB   ALA   7          3HB       ALA   7  -2.560  26.192 -18.061
   29   2HB   ALA   7          2HB       ALA   7  -2.275  24.668 -18.903
   30   3HB   ALA   7          1HB       ALA   7  -2.985  26.034 -19.766
   31    MB   ALA   7           QB       ALA   7  -2.607  25.631 -18.910
   32    H    ASP   8           H        ASP   8  -4.293  22.607 -17.981
   33    HA   ASP   8           HA       ASP   8  -4.673  22.818 -15.095
   34   1HB   ASP   8          2HB       ASP   8  -5.971  21.149 -16.467
   35   2HB   ASP   8          1HB       ASP   8  -4.454  20.388 -16.910
   36    QB   ASP   8           QB       ASP   8  -5.212  20.768 -16.688
   37    H    VAL   9           H        VAL   9  -3.063  21.930 -13.640
   38    HA   VAL   9           HA       VAL   9  -0.540  22.448 -14.273
   39    HB   VAL   9           HB       VAL   9   0.153  21.102 -12.243
   40   1HG1  VAL   9          2HG1      VAL   9  -2.023  23.180 -11.993
   41   2HG1  VAL   9          1HG1      VAL   9  -0.952  22.676 -10.684
   42   3HG1  VAL   9          3HG1      VAL   9  -0.293  23.475 -12.108
   43   1HG2  VAL   9          2HG2      VAL   9  -2.808  20.743 -12.124
   44   2HG2  VAL   9          1HG2      VAL   9  -1.609  19.467 -12.306
   45   3HG2  VAL   9          3HG2      VAL   9  -1.708  20.374 -10.779
   46    MG1  VAL   9           QG1      VAL   9  -1.089  23.111 -11.595
   47    MG2  VAL   9           QG2      VAL   9  -2.042  20.195 -11.737
   48    QG   VAL   9           QQG      VAL   9  -1.566  21.653 -11.666
   49    H    THR  10           H        THR  10  -2.242  19.416 -14.559
   50    HA   THR  10           HA       THR  10  -1.769  17.341 -15.317
   51    HB   THR  10           HB       THR  10  -0.663  17.174 -17.384
   52    HG1  THR  10          1HG       THR  10   0.355  19.635 -16.657
   53   1HG2  THR  10          1HG2      THR  10  -2.971  17.871 -17.387
   54   2HG2  THR  10          3HG2      THR  10  -2.490  19.565 -17.250
   55   3HG2  THR  10          2HG2      THR  10  -2.130  18.656 -18.721
   56    MG   THR  10           QG2      THR  10  -2.530  18.698 -17.786
   57    H    MET  11           H        MET  11   0.178  15.885 -16.298
   58    HA   MET  11           HA       MET  11   1.980  15.686 -14.115
   59   1HB   MET  11          2HB       MET  11   1.733  14.051 -16.647
   60   2HB   MET  11          1HB       MET  11   2.797  13.686 -15.300
   61   1HG   MET  11          2HG       MET  11   0.905  12.251 -15.196
   62   2HG   MET  11          1HG       MET  11   0.801  13.433 -13.899
   63   1HE   MET  11          1HE       MET  11  -0.538  12.428 -17.456
   64   2HE   MET  11          3HE       MET  11  -1.751  13.672 -17.744
   65   3HE   MET  11          2HE       MET  11  -0.049  14.107 -17.711
   66    QB   MET  11           QB       MET  11   2.265  13.868 -15.974
   67    QG   MET  11           QG       MET  11   0.853  12.842 -14.548
   68    ME   MET  11           QE       MET  11  -0.779  13.402 -17.637
   69    H    THR  12           H        THR  12   3.023  17.642 -14.401
   70    HA   THR  12           HA       THR  12   4.908  17.830 -16.650
   71    HB   THR  12           HB       THR  12   5.265  20.023 -15.773
   72    HG1  THR  12          1HG       THR  12   2.668  20.014 -14.611
   73   1HG2  THR  12          1HG2      THR  12   2.509  19.389 -16.816
   74   2HG2  THR  12          3HG2      THR  12   3.215  21.007 -16.826
   75   3HG2  THR  12          2HG2      THR  12   3.973  19.706 -17.747
   76    MG   THR  12           QG2      THR  12   3.232  20.034 -17.130
   77    H    GLY  13           H        GLY  13   5.189  19.186 -13.505
   78   1HA   GLY  13          1HA       GLY  13   7.863  18.840 -13.124
   79   2HA   GLY  13          2HA       GLY  13   7.121  17.359 -12.499
   80    QA   GLY  13           QA       GLY  13   7.492  18.099 -12.811
   81    H    SER  14           H        SER  14   6.841  17.548 -10.264
   82    HA   SER  14           HA       SER  14   6.351  20.108  -9.192
   83   1HB   SER  14          2HB       SER  14   4.463  17.755  -8.891
   84   2HB   SER  14          1HB       SER  14   4.299  19.327  -8.114
   85    HG   SER  14           HG       SER  14   4.465  19.915 -10.596
   86    QB   SER  14           QB       SER  14   4.381  18.541  -8.502
   87    H    ASP  15           H        ASP  15   5.709  19.027  -6.705
   88    HA   ASP  15           HA       ASP  15   8.178  17.765  -6.019
   89   1HB   ASP  15          2HB       ASP  15   7.662  18.716  -3.843
   90   2HB   ASP  15          1HB       ASP  15   8.085  19.960  -4.971
   91    QB   ASP  15           QB       ASP  15   7.873  19.338  -4.407
   92    H    LEU  16           H        LEU  16   6.389  16.211  -6.910
   93    HA   LEU  16           HA       LEU  16   5.592  14.770  -4.537
   94   1HB   LEU  16          2HB       LEU  16   4.450  14.527  -7.298
   95   2HB   LEU  16          1HB       LEU  16   3.996  13.567  -5.903
   96    HG   LEU  16           HG       LEU  16   2.301  14.944  -6.170
   97   1HD1  LEU  16          3HD1      LEU  16   2.854  15.084  -3.889
   98   2HD1  LEU  16          2HD1      LEU  16   3.943  16.434  -4.180
   99   3HD1  LEU  16          1HD1      LEU  16   2.206  16.643  -4.401
  100   1HD2  LEU  16          3HD2      LEU  16   4.115  17.181  -6.891
  101   2HD2  LEU  16          2HD2      LEU  16   2.938  16.288  -7.884
  102   3HD2  LEU  16          1HD2      LEU  16   2.370  17.376  -6.622
  103    MD1  LEU  16           QD1      LEU  16   3.001  16.054  -4.157
  104    MD2  LEU  16           QD2      LEU  16   3.141  16.948  -7.132
  105    QB   LEU  16           QB       LEU  16   4.223  14.047  -6.600
  106    QD   LEU  16           QQD      LEU  16   3.071  16.501  -5.644
  107    H    VAL  17           H        VAL  17   5.601  12.574  -4.776
  108    HA   VAL  17           HA       VAL  17   7.641  11.624  -6.346
  109    HB   VAL  17           HB       VAL  17   7.837  11.913  -3.362
  110   1HG1  VAL  17          1HG1      VAL  17   9.051   9.891  -5.055
  111   2HG1  VAL  17          3HG1      VAL  17   9.714  10.283  -3.438
  112   3HG1  VAL  17          2HG1      VAL  17   8.028   9.666  -3.575
  113   1HG2  VAL  17          2HG2      VAL  17   9.081  13.479  -4.868
  114   2HG2  VAL  17          1HG2      VAL  17  10.130  12.549  -3.787
  115   3HG2  VAL  17          3HG2      VAL  17   9.976  12.091  -5.475
  116    MG1  VAL  17           QG1      VAL  17   8.931   9.947  -4.023
  117    MG2  VAL  17           QG2      VAL  17   9.729  12.706  -4.710
  118    QG   VAL  17           QQG      VAL  17   9.330  11.326  -4.366
  119    H    SER  18           H        SER  18   7.467   9.326  -6.302
  120    HA   SER  18           HA       SER  18   5.034   8.188  -5.120
  121   1HB   SER  18          2HB       SER  18   4.682   8.673  -7.538
  122   2HB   SER  18          1HB       SER  18   6.077   7.681  -7.925
  123    HG   SER  18           HG       SER  18   4.932   5.900  -7.017
  124    QB   SER  18           QB       SER  18   5.379   8.177  -7.732
  125    H    CYS  19           H        CYS  19   5.783   6.804  -3.702
  126    HA   CYS  19           HA       CYS  19   8.117   5.185  -4.361
  127   1HB   CYS  19          2HB       CYS  19   6.587   5.512  -1.766
  128   2HB   CYS  19          1HB       CYS  19   7.988   4.472  -1.975
  129    HG   CYS  19           HG       CYS  19   9.760   6.240  -1.506
  130    QB   CYS  19           QB       CYS  19   7.287   4.992  -1.871
  131    H    CYS  20           H        CYS  20   7.810   3.202  -5.106
  132    HA   CYS  20           HA       CYS  20   5.049   2.151  -5.028
  133   1HB   CYS  20          2HB       CYS  20   7.095   1.748  -7.208
  134   2HB   CYS  20          1HB       CYS  20   5.377   1.365  -7.253
  135    HG   CYS  20           HG       CYS  20   6.352   3.678  -8.787
  136    QB   CYS  20           QB       CYS  20   6.236   1.556  -7.230
  137    H    TYR  21           H        TYR  21   5.144   0.379  -3.613
  138    HA   TYR  21           HA       TYR  21   7.760  -0.886  -3.608
  139   1HB   TYR  21          2HB       TYR  21   7.669  -1.275  -1.350
  140   2HB   TYR  21          1HB       TYR  21   7.162   0.357  -1.627
  141    HD1  TYR  21          1HD       TYR  21   5.522  -2.968  -0.931
  142    HD2  TYR  21          2HD       TYR  21   5.576   1.235  -0.389
  143    HE1  TYR  21          1HE       TYR  21   3.653  -3.145   0.710
  144    HE2  TYR  21          2HE       TYR  21   3.798   1.091   1.185
  145    HH   TYR  21           HH       TYR  21   1.954  -0.463   1.785
  146    QB   TYR  21           QB       TYR  21   7.416  -0.459  -1.488
  147    QD   TYR  21           QD       TYR  21   5.549  -0.867  -0.660
  148    QE   TYR  21           QE       TYR  21   3.725  -1.027   0.948
  149    QR   TYR  21           QR       TYR  21   4.637  -0.947   0.144
  150    H    ARG  22           H        ARG  22   8.020  -2.986  -3.416
  151    HA   ARG  22           HA       ARG  22   5.714  -4.659  -4.086
  152   1HB   ARG  22          2HB       ARG  22   7.775  -4.464  -5.654
  153   2HB   ARG  22          1HB       ARG  22   8.649  -5.323  -4.408
  154   1HG   ARG  22          2HG       ARG  22   6.252  -6.383  -5.907
  155   2HG   ARG  22          1HG       ARG  22   7.925  -6.787  -6.247
  156   1HD   ARG  22          2HD       ARG  22   6.381  -7.426  -3.726
  157   2HD   ARG  22          1HD       ARG  22   6.821  -8.569  -4.988
  158    HE   ARG  22           HE       ARG  22   8.607  -7.332  -3.010
  159   1HH1  ARG  22          1HH1      ARG  22   8.210  -9.580  -5.749
  160   2HH1  ARG  22          2HH1      ARG  22   9.583 -10.504  -5.375
  161   1HH2  ARG  22          1HH2      ARG  22  10.536  -8.658  -2.492
  162   2HH2  ARG  22          2HH2      ARG  22  10.884  -9.997  -3.476
  163    QB   ARG  22           QB       ARG  22   8.212  -4.894  -5.031
  164    QG   ARG  22           QG       ARG  22   7.088  -6.585  -6.077
  165    QD   ARG  22           QD       ARG  22   6.601  -7.998  -4.357
  166    QH1  ARG  22           QH1      ARG  22   8.897 -10.042  -5.562
  167    QH2  ARG  22           QH2      ARG  22  10.710  -9.327  -2.984
  168    H    SER  23           H        SER  23   5.045  -5.611  -2.323
  169    HA   SER  23           HA       SER  23   6.983  -6.427  -0.287
  170   1HB   SER  23          2HB       SER  23   5.608  -4.466   0.389
  171   2HB   SER  23          1HB       SER  23   4.229  -5.487  -0.004
  172    HG   SER  23           HG       SER  23   4.766  -6.852   1.675
  173    QB   SER  23           QB       SER  23   4.918  -4.977   0.192
  174    H    LEU  24           H        LEU  24   6.125  -8.265   0.940
  175    HA   LEU  24           HA       LEU  24   4.185  -9.836  -0.591
  176   1HB   LEU  24          2HB       LEU  24   6.192 -10.680   1.542
  177   2HB   LEU  24          1HB       LEU  24   4.995 -11.753   0.860
  178    HG   LEU  24           HG       LEU  24   7.089 -12.295  -0.107
  179   1HD1  LEU  24          3HD1      LEU  24   5.477 -10.753  -2.104
  180   2HD1  LEU  24          2HD1      LEU  24   6.716 -11.948  -2.481
  181   3HD1  LEU  24          1HD1      LEU  24   5.256 -12.433  -1.618
  182   1HD2  LEU  24          1HD2      LEU  24   7.390  -9.399  -0.910
  183   2HD2  LEU  24          3HD2      LEU  24   8.349 -10.242   0.310
  184   3HD2  LEU  24          2HD2      LEU  24   8.472 -10.702  -1.389
  185    MD1  LEU  24           QD1      LEU  24   5.816 -11.711  -2.068
  186    MD2  LEU  24           QD2      LEU  24   8.070 -10.114  -0.663
  187    QB   LEU  24           QB       LEU  24   5.594 -11.216   1.201
  188    QD   LEU  24           QQD      LEU  24   6.943 -10.913  -1.365
  189    H    ALA  25           H        ALA  25   2.683 -11.042   1.034
  190    HA   ALA  25           HA       ALA  25   2.026  -9.151   3.169
  191   1HB   ALA  25          1HB       ALA  25   0.376 -11.327   1.887
  192   2HB   ALA  25          2HB       ALA  25   0.257  -9.595   1.561
  193   3HB   ALA  25          3HB       ALA  25  -0.175 -10.223   3.152
  194    MB   ALA  25           QB       ALA  25   0.153 -10.382   2.200
  195    H    ALA  26           H        ALA  26   2.200  -9.855   5.365
  196    HA   ALA  26           HA       ALA  26   3.613 -12.250   5.601
  197   1HB   ALA  26          2HB       ALA  26   4.081 -10.355   6.978
  198   2HB   ALA  26          1HB       ALA  26   2.464 -10.414   7.671
  199   3HB   ALA  26          3HB       ALA  26   3.607 -11.730   7.991
  200    MB   ALA  26           QB       ALA  26   3.384 -10.833   7.547
  201    HA   PRO  27           HA       PRO  27   0.141 -15.082   6.412
  202   1HB   PRO  27          2HB       PRO  27   1.514 -16.767   8.048
  203   2HB   PRO  27          1HB       PRO  27   1.765 -16.766   6.292
  204   1HG   PRO  27          2HG       PRO  27   3.215 -15.083   8.329
  205   2HG   PRO  27          1HG       PRO  27   3.989 -16.318   7.242
  206   1HD   PRO  27          2HD       PRO  27   4.060 -13.863   6.649
  207   2HD   PRO  27          1HD       PRO  27   3.350 -14.918   5.393
  208    QB   PRO  27           QB       PRO  27   1.639 -16.766   7.170
  209    QG   PRO  27           QG       PRO  27   3.602 -15.701   7.786
  210    QD   PRO  27           QD       PRO  27   3.705 -14.390   6.021
  211    H    ASP  28           H        ASP  28   1.898 -13.374   8.492
  212    HA   ASP  28           HA       ASP  28   0.799 -13.837  11.107
  213   1HB   ASP  28          2HB       ASP  28   3.012 -12.889  10.850
  214   2HB   ASP  28          1HB       ASP  28   2.374 -11.559   9.907
  215    QB   ASP  28           QB       ASP  28   2.693 -12.224  10.379
  216    H    LEU  29           H        LEU  29  -0.078 -12.011   8.344
  217    HA   LEU  29           HA       LEU  29  -1.546  -9.939   9.496
  218   1HB   LEU  29          2HB       LEU  29  -1.482 -11.166   6.812
  219   2HB   LEU  29          1HB       LEU  29  -2.695  -9.966   7.215
  220    HG   LEU  29           HG       LEU  29   0.241  -9.505   7.552
  221   1HD1  LEU  29          1HD1      LEU  29  -1.640  -8.900   5.316
  222   2HD1  LEU  29          3HD1      LEU  29  -0.027  -8.169   5.473
  223   3HD1  LEU  29          2HD1      LEU  29  -0.146  -9.912   5.237
  224   1HD2  LEU  29          3HD2      LEU  29  -2.157  -7.675   7.437
  225   2HD2  LEU  29          2HD2      LEU  29  -1.202  -8.053   8.877
  226   3HD2  LEU  29          1HD2      LEU  29  -0.477  -7.170   7.544
  227    MD1  LEU  29           QD1      LEU  29  -0.605  -8.994   5.342
  228    MD2  LEU  29           QD2      LEU  29  -1.279  -7.633   7.953
  229    QB   LEU  29           QB       LEU  29  -2.088 -10.566   7.014
  230    QD   LEU  29           QQD      LEU  29  -0.942  -8.313   6.647
  231    H    THR  30           H        THR  30  -3.617  -9.532   9.525
  232    HA   THR  30           HA       THR  30  -5.585 -11.682   9.386
  233    HB   THR  30           HB       THR  30  -6.143  -9.906  11.299
  234    HG1  THR  30          1HG       THR  30  -3.919  -9.684  11.922
  235   1HG2  THR  30          1HG2      THR  30  -5.509 -12.779  11.257
  236   2HG2  THR  30          3HG2      THR  30  -6.289 -12.042  12.665
  237   3HG2  THR  30          2HG2      THR  30  -7.094 -12.020  11.069
  238    MG   THR  30           QG2      THR  30  -6.297 -12.280  11.664
  239    H    LEU  31           H        LEU  31  -7.679 -10.908   9.183
  240    HA   LEU  31           HA       LEU  31  -8.049  -8.928   7.206
  241   1HB   LEU  31          2HB       LEU  31  -9.624 -10.739   7.961
  242   2HB   LEU  31          1HB       LEU  31  -9.800  -9.644   9.361
  243    HG   LEU  31           HG       LEU  31 -10.788  -7.932   7.966
  244   1HD1  LEU  31          2HD1      LEU  31  -9.683  -8.410   5.881
  245   2HD1  LEU  31          1HD1      LEU  31 -10.620  -9.906   5.701
  246   3HD1  LEU  31          3HD1      LEU  31 -11.428  -8.333   5.692
  247   1HD2  LEU  31          1HD2      LEU  31 -12.159 -10.591   7.658
  248   2HD2  LEU  31          3HD2      LEU  31 -12.282  -9.504   9.042
  249   3HD2  LEU  31          2HD2      LEU  31 -12.922  -9.010   7.475
  250    MD1  LEU  31           QD1      LEU  31 -10.577  -8.883   5.758
  251    MD2  LEU  31           QD2      LEU  31 -12.454  -9.702   8.058
  252    QB   LEU  31           QB       LEU  31  -9.712 -10.191   8.661
  253    QD   LEU  31           QQD      LEU  31 -11.516  -9.292   6.908
  254    H    ARG  32           H        ARG  32  -8.430  -8.667  10.743
  255    HA   ARG  32           HA       ARG  32  -9.380  -6.038  10.494
  256   1HB   ARG  32          2HB       ARG  32  -9.811  -7.319  12.565
  257   2HB   ARG  32          1HB       ARG  32  -8.096  -7.269  12.959
  258   1HG   ARG  32          2HG       ARG  32  -9.321  -5.611  14.255
  259   2HG   ARG  32          1HG       ARG  32  -8.204  -4.831  13.129
  260   1HD   ARG  32          2HD       ARG  32 -10.203  -4.617  11.537
  261   2HD   ARG  32          1HD       ARG  32 -11.200  -5.066  12.920
  262    HE   ARG  32           HE       ARG  32  -9.939  -3.077  13.990
  263   1HH1  ARG  32          1HH1      ARG  32 -11.425  -3.266  10.770
  264   2HH1  ARG  32          2HH1      ARG  32 -11.417  -1.572  10.538
  265   1HH2  ARG  32          1HH2      ARG  32  -9.957  -0.707  13.597
  266   2HH2  ARG  32          2HH2      ARG  32 -10.598  -0.128  12.117
  267    QB   ARG  32           QB       ARG  32  -8.954  -7.294  12.762
  268    QG   ARG  32           QG       ARG  32  -8.763  -5.221  13.692
  269    QD   ARG  32           QD       ARG  32 -10.701  -4.841  12.229
  270    QH1  ARG  32           QH1      ARG  32 -11.421  -2.419  10.654
  271    QH2  ARG  32           QH2      ARG  32 -10.277  -0.418  12.857
  272    H    ASP  33           H        ASP  33  -6.257  -7.378  10.494
  273    HA   ASP  33           HA       ASP  33  -4.832  -4.982  10.895
  274   1HB   ASP  33          2HB       ASP  33  -4.120  -7.607   9.664
  275   2HB   ASP  33          1HB       ASP  33  -2.992  -6.278   9.569
  276    QB   ASP  33           QB       ASP  33  -3.556  -6.943   9.617
  277    H    LEU  34           H        LEU  34  -6.107  -6.580   7.934
  278    HA   LEU  34           HA       LEU  34  -4.889  -4.602   6.187
  279   1HB   LEU  34          2HB       LEU  34  -7.288  -6.373   5.677
  280   2HB   LEU  34          1HB       LEU  34  -6.657  -5.256   4.496
  281    HG   LEU  34           HG       LEU  34  -5.965  -7.480   3.949
  282   1HD1  LEU  34          1HD1      LEU  34  -4.358  -5.725   3.476
  283   2HD1  LEU  34          3HD1      LEU  34  -3.631  -5.941   5.070
  284   3HD1  LEU  34          2HD1      LEU  34  -3.548  -7.238   3.884
  285   1HD2  LEU  34          2HD2      LEU  34  -6.203  -8.284   6.238
  286   2HD2  LEU  34          1HD2      LEU  34  -4.701  -8.875   5.434
  287   3HD2  LEU  34          3HD2      LEU  34  -4.650  -7.537   6.601
  288    MD1  LEU  34           QD1      LEU  34  -3.846  -6.301   4.143
  289    MD2  LEU  34           QD2      LEU  34  -5.184  -8.232   6.091
  290    QB   LEU  34           QB       LEU  34  -6.973  -5.815   5.086
  291    QD   LEU  34           QQD      LEU  34  -4.515  -7.267   5.117
  292    H    LEU  35           H        LEU  35  -7.903  -4.962   7.727
  293    HA   LEU  35           HA       LEU  35  -9.126  -2.693   6.589
  294   1HB   LEU  35          2HB       LEU  35  -9.766  -4.406   8.965
  295   2HB   LEU  35          1HB       LEU  35 -10.716  -2.978   8.612
  296    HG   LEU  35           HG       LEU  35 -11.687  -5.192   7.786
  297   1HD1  LEU  35          3HD1      LEU  35 -12.402  -3.009   6.899
  298   2HD1  LEU  35          2HD1      LEU  35 -11.112  -3.082   5.701
  299   3HD1  LEU  35          1HD1      LEU  35 -12.426  -4.258   5.656
  300   1HD2  LEU  35          3HD2      LEU  35  -9.477  -6.066   6.994
  301   2HD2  LEU  35          2HD2      LEU  35 -10.755  -6.207   5.777
  302   3HD2  LEU  35          1HD2      LEU  35  -9.543  -4.914   5.699
  303    MD1  LEU  35           QD1      LEU  35 -11.980  -3.450   6.085
  304    MD2  LEU  35           QD2      LEU  35  -9.925  -5.729   6.157
  305    QB   LEU  35           QB       LEU  35 -10.241  -3.692   8.789
  306    QD   LEU  35           QQD      LEU  35 -10.953  -4.589   6.121
  307    H    ASP  36           H        ASP  36  -7.337  -3.186   9.479
  308    HA   ASP  36           HA       ASP  36  -7.668  -0.525  10.506
  309   1HB   ASP  36          2HB       ASP  36  -6.918  -2.447  11.924
  310   2HB   ASP  36          1HB       ASP  36  -5.383  -2.436  11.071
  311    QB   ASP  36           QB       ASP  36  -6.151  -2.442  11.497
  312    H    ILE  37           H        ILE  37  -5.262  -2.082   8.463
  313    HA   ILE  37           HA       ILE  37  -3.518   0.019   7.981
  314    HB   ILE  37           HB       ILE  37  -4.435  -2.310   6.287
  315   1HG1  ILE  37          2HG1      ILE  37  -1.626  -1.766   7.024
  316   2HG1  ILE  37          1HG1      ILE  37  -2.613  -2.376   8.306
  317   1HG2  ILE  37          3HG2      ILE  37  -3.977  -0.546   4.679
  318   2HG2  ILE  37          2HG2      ILE  37  -2.398  -0.263   5.407
  319   3HG2  ILE  37          1HG2      ILE  37  -2.733  -1.794   4.598
  320   1HD1  ILE  37          2HD1      ILE  37  -2.122  -3.697   5.622
  321   2HD1  ILE  37          1HD1      ILE  37  -1.396  -4.156   7.172
  322   3HD1  ILE  37          3HD1      ILE  37  -3.118  -4.373   6.902
  323    MG   ILE  37           QG2      ILE  37  -3.036  -0.868   4.895
  324    MD   ILE  37           QD1      ILE  37  -2.212  -4.075   6.565
  325    QG   ILE  37           QG1      ILE  37  -2.119  -2.071   7.665
  326    H    VAL  38           H        VAL  38  -6.397  -0.885   6.082
  327    HA   VAL  38           HA       VAL  38  -6.253   1.353   4.406
  328    HB   VAL  38           HB       VAL  38  -7.550  -0.559   3.619
  329   1HG1  VAL  38          2HG1      VAL  38  -9.394  -0.125   5.893
  330   2HG1  VAL  38          1HG1      VAL  38  -9.690  -1.188   4.490
  331   3HG1  VAL  38          3HG1      VAL  38  -8.292  -1.467   5.511
  332   1HG2  VAL  38          2HG2      VAL  38  -9.342   1.829   3.980
  333   2HG2  VAL  38          1HG2      VAL  38  -8.287   1.485   2.612
  334   3HG2  VAL  38          3HG2      VAL  38  -9.689   0.465   2.915
  335    MG1  VAL  38           QG1      VAL  38  -9.125  -0.927   5.298
  336    MG2  VAL  38           QG2      VAL  38  -9.106   1.260   3.169
  337    QG   VAL  38           QQG      VAL  38  -9.116   0.166   4.234
  338    H    GLU  39           H        GLU  39  -8.105   0.991   7.397
  339    HA   GLU  39           HA       GLU  39  -9.353   3.494   7.316
  340   1HB   GLU  39          2HB       GLU  39  -8.603   1.681   9.595
  341   2HB   GLU  39          1HB       GLU  39  -9.472   3.192   9.840
  342   1HG   GLU  39          2HG       GLU  39 -11.320   2.435   8.560
  343   2HG   GLU  39          1HG       GLU  39 -10.426   1.036   7.986
  344    QB   GLU  39           QB       GLU  39  -9.037   2.436   9.718
  345    QG   GLU  39           QG       GLU  39 -10.873   1.735   8.273
  346    H    THR  40           H        THR  40  -6.247   2.587   8.835
  347    HA   THR  40           HA       THR  40  -5.618   5.182   9.717
  348    HB   THR  40           HB       THR  40  -3.996   2.709   9.182
  349    HG1  THR  40          1HG       THR  40  -4.258   4.081  11.614
  350   1HG2  THR  40          2HG2      THR  40  -2.916   5.334  10.229
  351   2HG2  THR  40          1HG2      THR  40  -2.041   3.798  10.213
  352   3HG2  THR  40          3HG2      THR  40  -2.491   4.577   8.698
  353    MG   THR  40           QG2      THR  40  -2.483   4.570   9.714
  354    H    SER  41           H        SER  41  -4.756   3.434   6.773
  355    HA   SER  41           HA       SER  41  -2.890   5.132   5.703
  356   1HB   SER  41          2HB       SER  41  -3.324   2.848   4.925
  357   2HB   SER  41          1HB       SER  41  -4.862   3.373   4.244
  358    HG   SER  41           HG       SER  41  -3.261   3.319   2.657
  359    QB   SER  41           QB       SER  41  -4.093   3.111   4.585
  360    H    GLN  42           H        GLN  42  -6.346   5.013   4.757
  361    HA   GLN  42           HA       GLN  42  -6.355   7.130   2.932
  362   1HB   GLN  42          2HB       GLN  42  -8.488   6.207   4.794
  363   2HB   GLN  42          1HB       GLN  42  -8.751   7.346   3.488
  364   1HG   GLN  42          2HG       GLN  42  -8.341   5.764   1.851
  365   2HG   GLN  42          1HG       GLN  42  -7.533   4.705   3.019
  366   1HE2  GLN  42          1HE2      GLN  42  -9.569   4.987   5.063
  367   2HE2  GLN  42          2HE2      GLN  42 -10.869   4.049   4.439
  368    QB   GLN  42           QB       GLN  42  -8.620   6.777   4.141
  369    QG   GLN  42           QG       GLN  42  -7.937   5.234   2.435
  370    QE   GLN  42           QE2      GLN  42 -10.219   4.518   4.751
  371    H    ALA  43           H        ALA  43  -6.977   7.140   6.367
  372    HA   ALA  43           HA       ALA  43  -7.820   9.809   6.475
  373   1HB   ALA  43          3HB       ALA  43  -7.924   9.470   8.811
  374   2HB   ALA  43          1HB       ALA  43  -6.739   8.143   8.722
  375   3HB   ALA  43          2HB       ALA  43  -8.327   7.939   8.004
  376    MB   ALA  43           QB       ALA  43  -7.663   8.517   8.512
  377    H    HIS  44           H        HIS  44  -4.644   8.383   6.819
  378    HA   HIS  44           HA       HIS  44  -3.521  10.965   7.567
  379   1HB   HIS  44          2HB       HIS  44  -2.533   8.690   8.350
  380   2HB   HIS  44          1HB       HIS  44  -2.084   8.542   6.641
  381    HD1  HIS  44          1HD       HIS  44   0.449   8.445   7.103
  382    HD2  HIS  44          2HD       HIS  44  -1.383  11.926   8.459
  383    HE1  HIS  44          1HE       HIS  44   2.316  10.013   7.667
  384    HE2  HIS  44          2HE       HIS  44   1.189  11.951   8.777
  385    QB   HIS  44           QB       HIS  44  -2.309   8.616   7.496
  386    H    ASN  45           H        ASN  45  -3.687   8.893   4.719
  387    HA   ASN  45           HA       ASN  45  -1.903  10.447   3.187
  388   1HB   ASN  45          2HB       ASN  45  -4.060   8.566   2.250
  389   2HB   ASN  45          1HB       ASN  45  -2.852   9.303   1.208
  390   1HD2  ASN  45          1HD2      ASN  45  -3.352   6.568   1.627
  391   2HD2  ASN  45          2HD2      ASN  45  -1.920   5.877   2.283
  392    QB   ASN  45           QB       ASN  45  -3.456   8.934   1.729
  393    QD   ASN  45           QD2      ASN  45  -2.636   6.222   1.955
  394    H    ALA  46           H        ALA  46  -5.405  10.464   3.501
  395    HA   ALA  46           HA       ALA  46  -5.929  12.321   1.481
  396   1HB   ALA  46          3HB       ALA  46  -8.026  12.732   2.612
  397   2HB   ALA  46          1HB       ALA  46  -7.382  11.998   4.082
  398   3HB   ALA  46          2HB       ALA  46  -7.655  11.002   2.647
  399    MB   ALA  46           QB       ALA  46  -7.688  11.911   3.114
  400    H    ARG  47           H        ARG  47  -5.122  12.734   4.902
  401    HA   ARG  47           HA       ARG  47  -5.361  15.549   4.808
  402   1HB   ARG  47          2HB       ARG  47  -5.384  14.121   6.888
  403   2HB   ARG  47          1HB       ARG  47  -3.644  13.952   6.580
  404   1HG   ARG  47          2HG       ARG  47  -3.981  15.643   8.300
  405   2HG   ARG  47          1HG       ARG  47  -3.301  16.348   6.838
  406   1HD   ARG  47          2HD       ARG  47  -6.219  16.450   7.621
  407   2HD   ARG  47          1HD       ARG  47  -5.048  17.720   7.934
  408    HE   ARG  47           HE       ARG  47  -4.889  17.459   5.254
  409   1HH1  ARG  47          1HH1      ARG  47  -7.655  17.933   7.422
  410   2HH1  ARG  47          2HH1      ARG  47  -8.610  18.734   6.273
  411   1HH2  ARG  47          1HH2      ARG  47  -6.211  18.593   3.676
  412   2HH2  ARG  47          2HH2      ARG  47  -7.766  19.137   4.093
  413    QB   ARG  47           QB       ARG  47  -4.514  14.037   6.734
  414    QG   ARG  47           QG       ARG  47  -3.641  15.996   7.569
  415    QD   ARG  47           QD       ARG  47  -5.634  17.085   7.777
  416    QH1  ARG  47           QH1      ARG  47  -8.132  18.333   6.847
  417    QH2  ARG  47           QH2      ARG  47  -6.988  18.865   3.885
  418    H    ALA  48           H        ALA  48  -2.611  13.283   4.527
  419    HA   ALA  48           HA       ALA  48  -0.841  15.451   4.333
  420   1HB   ALA  48          3HB       ALA  48  -0.127  13.382   5.334
  421   2HB   ALA  48          1HB       ALA  48   0.908  13.852   3.984
  422   3HB   ALA  48          2HB       ALA  48  -0.287  12.555   3.775
  423    MB   ALA  48           QB       ALA  48   0.164  13.263   4.364
  424    H    GLN  49           H        GLN  49  -2.922  14.195   2.129
  425    HA   GLN  49           HA       GLN  49  -3.402  14.679  -0.033
  426   1HB   GLN  49          2HB       GLN  49  -0.907  16.332   0.122
  427   2HB   GLN  49          1HB       GLN  49  -1.986  16.339  -1.300
  428   1HG   GLN  49          2HG       GLN  49  -3.389  17.671  -0.220
  429   2HG   GLN  49          1HG       GLN  49  -3.201  16.596   1.200
  430   1HE2  GLN  49          1HE2      GLN  49  -1.952  17.130   2.837
  431   2HE2  GLN  49          2HE2      GLN  49  -0.938  18.499   2.943
  432    QB   GLN  49           QB       GLN  49  -1.447  16.336  -0.589
  433    QG   GLN  49           QG       GLN  49  -3.295  17.133   0.490
  434    QE   GLN  49           QE2      GLN  49  -1.445  17.814   2.890
  435    H    LEU  50           H        LEU  50  -1.972  12.528   0.818
  436    HA   LEU  50           HA       LEU  50  -0.355  11.699  -1.428
  437   1HB   LEU  50          2HB       LEU  50  -0.925  10.638   1.276
  438   2HB   LEU  50          1HB       LEU  50  -0.400   9.521   0.031
  439    HG   LEU  50           HG       LEU  50   1.615  10.736  -0.278
  440   1HD1  LEU  50          3HD1      LEU  50   0.901  12.998   0.187
  441   2HD1  LEU  50          2HD1      LEU  50   0.701  12.596   1.890
  442   3HD1  LEU  50          1HD1      LEU  50   2.307  12.574   1.161
  443   1HD2  LEU  50          2HD2      LEU  50   1.503   9.025   1.439
  444   2HD2  LEU  50          1HD2      LEU  50   2.704  10.284   1.793
  445   3HD2  LEU  50          3HD2      LEU  50   1.155  10.279   2.630
  446    MD1  LEU  50           QD1      LEU  50   1.303  12.723   1.080
  447    MD2  LEU  50           QD2      LEU  50   1.787   9.863   1.954
  448    QB   LEU  50           QB       LEU  50  -0.663  10.080   0.653
  449    QD   LEU  50           QQD      LEU  50   1.545  11.293   1.517
  450    H    THR  51           H        THR  51  -1.016  10.458  -2.995
  451    HA   THR  51           HA       THR  51  -3.714   9.382  -2.850
  452    HB   THR  51           HB       THR  51  -3.816   9.877  -5.306
  453    HG1  THR  51          1HG       THR  51  -1.861  10.219  -6.143
  454   1HG2  THR  51          3HG2      THR  51  -4.588  11.349  -3.515
  455   2HG2  THR  51          2HG2      THR  51  -3.010  12.162  -3.566
  456   3HG2  THR  51          1HG2      THR  51  -4.087  12.261  -4.970
  457    MG   THR  51           QG2      THR  51  -3.895  11.924  -4.017
  458    H    GLY  52           H        GLY  52  -4.041   7.322  -3.989
  459   1HA   GLY  52          1HA       GLY  52  -2.261   5.585  -2.851
  460   2HA   GLY  52          2HA       GLY  52  -1.735   5.758  -4.520
  461    QA   GLY  52           QA       GLY  52  -1.998   5.672  -3.686
  462    H    ALA  53           H        ALA  53  -2.131   3.493  -4.110
  463    HA   ALA  53           HA       ALA  53  -4.683   2.423  -3.842
  464   1HB   ALA  53          2HB       ALA  53  -4.961   1.409  -6.088
  465   2HB   ALA  53          3HB       ALA  53  -3.553   2.304  -6.659
  466   3HB   ALA  53          1HB       ALA  53  -5.015   3.171  -6.185
  467    MB   ALA  53           QB       ALA  53  -4.510   2.295  -6.311
  468    H    LEU  54           H        LEU  54  -4.397  -0.093  -4.572
  469    HA   LEU  54           HA       LEU  54  -1.684  -0.901  -4.509
  470   1HB   LEU  54          2HB       LEU  54  -1.665  -2.080  -2.419
  471   2HB   LEU  54          1HB       LEU  54  -2.160  -0.428  -2.133
  472    HG   LEU  54           HG       LEU  54  -4.580  -1.402  -2.040
  473   1HD1  LEU  54          1HD1      LEU  54  -4.039  -3.623  -2.893
  474   2HD1  LEU  54          3HD1      LEU  54  -3.015  -3.909  -1.486
  475   3HD1  LEU  54          2HD1      LEU  54  -4.753  -3.682  -1.283
  476   1HD2  LEU  54          3HD2      LEU  54  -3.385  -0.445  -0.167
  477   2HD2  LEU  54          2HD2      LEU  54  -4.305  -1.869   0.328
  478   3HD2  LEU  54          1HD2      LEU  54  -2.557  -1.976   0.106
  479    MD1  LEU  54           QD1      LEU  54  -3.935  -3.738  -1.887
  480    MD2  LEU  54           QD2      LEU  54  -3.416  -1.430   0.089
  481    QB   LEU  54           QB       LEU  54  -1.912  -1.254  -2.276
  482    QD   LEU  54           QQD      LEU  54  -3.675  -2.584  -0.899
  483    H    PHE  55           H        PHE  55  -1.477  -3.123  -4.884
  484    HA   PHE  55           HA       PHE  55  -3.935  -4.457  -5.670
  485   1HB   PHE  55          2HB       PHE  55  -1.393  -4.375  -7.332
  486   2HB   PHE  55          1HB       PHE  55  -2.822  -5.338  -7.698
  487    HD1  PHE  55          1HD       PHE  55  -5.027  -4.092  -8.084
  488    HD2  PHE  55          2HD       PHE  55  -1.220  -2.198  -8.135
  489    HE1  PHE  55          1HE       PHE  55  -5.991  -2.184  -9.307
  490    HE2  PHE  55          2HE       PHE  55  -2.174  -0.294  -9.349
  491    HZ   PHE  55           HZ       PHE  55  -4.557  -0.281  -9.932
  492    QB   PHE  55           QB       PHE  55  -2.108  -4.856  -7.515
  493    QD   PHE  55           QD       PHE  55  -3.124  -3.145  -8.109
  494    QE   PHE  55           QE       PHE  55  -4.083  -1.239  -9.328
  495    QR   PHE  55           QR       PHE  55  -3.794  -1.810  -8.961
  496    H    TYR  56           H        TYR  56  -4.064  -6.042  -4.356
  497    HA   TYR  56           HA       TYR  56  -1.677  -7.454  -3.446
  498   1HB   TYR  56          2HB       TYR  56  -3.165  -6.539  -1.718
  499   2HB   TYR  56          1HB       TYR  56  -4.551  -7.331  -2.396
  500    HD1  TYR  56          1HD       TYR  56  -3.695 -10.168  -2.624
  501    HD2  TYR  56          2HD       TYR  56  -2.779  -7.293   0.384
  502    HE1  TYR  56          1HE       TYR  56  -3.378 -11.979  -0.999
  503    HE2  TYR  56          2HE       TYR  56  -2.434  -9.110   2.013
  504    HH   TYR  56           HH       TYR  56  -2.169 -12.368   1.125
  505    QB   TYR  56           QB       TYR  56  -3.858  -6.935  -2.057
  506    QD   TYR  56           QD       TYR  56  -3.237  -8.731  -1.120
  507    QE   TYR  56           QE       TYR  56  -2.906 -10.545   0.507
  508    QR   TYR  56           QR       TYR  56  -3.071  -9.638  -0.307
  509    H    SER  57           H        SER  57  -1.296  -9.192  -4.692
  510    HA   SER  57           HA       SER  57  -3.574 -10.744  -5.689
  511   1HB   SER  57          2HB       SER  57  -2.332 -10.969  -7.882
  512   2HB   SER  57          1HB       SER  57  -2.963  -9.353  -7.553
  513    HG   SER  57           HG       SER  57  -0.397  -9.929  -6.660
  514    QB   SER  57           QB       SER  57  -2.647 -10.161  -7.718
  515    H    GLN  58           H        GLN  58  -3.338 -12.792  -5.095
  516    HA   GLN  58           HA       GLN  58  -2.512 -14.847  -4.744
  517   1HB   GLN  58          2HB       GLN  58  -1.080 -14.606  -6.726
  518   2HB   GLN  58          1HB       GLN  58   0.106 -13.747  -5.747
  519   1HG   GLN  58          2HG       GLN  58   0.481 -15.783  -4.425
  520   2HG   GLN  58          1HG       GLN  58  -0.693 -16.637  -5.415
  521   1HE2  GLN  58          1HE2      GLN  58   1.694 -14.349  -6.724
  522   2HE2  GLN  58          2HE2      GLN  58   2.602 -15.542  -7.543
  523    QB   GLN  58           QB       GLN  58  -0.487 -14.177  -6.236
  524    QG   GLN  58           QG       GLN  58  -0.106 -16.210  -4.920
  525    QE   GLN  58           QE2      GLN  58   2.148 -14.945  -7.133
  526    H    GLY  59           H        GLY  59  -0.750 -12.203  -3.509
  527   1HA   GLY  59          1HA       GLY  59   0.493 -13.753  -1.372
  528   2HA   GLY  59          2HA       GLY  59  -0.695 -12.541  -0.896
  529    QA   GLY  59           QA       GLY  59  -0.101 -13.147  -1.134
  530    H    VAL  60           H        VAL  60   1.047 -11.833  -3.776
  531    HA   VAL  60           HA       VAL  60   3.036 -10.354  -2.363
  532    HB   VAL  60           HB       VAL  60   3.976  -9.748  -4.485
  533   1HG1  VAL  60          2HG1      VAL  60   3.063 -12.600  -4.605
  534   2HG1  VAL  60          1HG1      VAL  60   4.358 -11.913  -5.579
  535   3HG1  VAL  60          3HG1      VAL  60   4.516 -11.970  -3.824
  536   1HG2  VAL  60          3HG2      VAL  60   1.494 -10.854  -5.827
  537   2HG2  VAL  60          2HG2      VAL  60   1.975  -9.162  -5.750
  538   3HG2  VAL  60          1HG2      VAL  60   2.948 -10.309  -6.672
  539    MG1  VAL  60           QG1      VAL  60   3.979 -12.161  -4.669
  540    MG2  VAL  60           QG2      VAL  60   2.139 -10.108  -6.083
  541    QG   VAL  60           QQG      VAL  60   3.059 -11.135  -5.376
  542    H    PHE  61           H        PHE  61   3.021  -8.284  -1.977
  543    HA   PHE  61           HA       PHE  61   0.547  -6.764  -2.370
  544   1HB   PHE  61          2HB       PHE  61   2.692  -6.945  -0.475
  545   2HB   PHE  61          1HB       PHE  61   2.423  -5.295  -1.005
  546    HD1  PHE  61          1HD       PHE  61   1.995  -7.221   1.567
  547    HD2  PHE  61          2HD       PHE  61  -0.478  -5.069  -1.151
  548    HE1  PHE  61          1HE       PHE  61   0.339  -6.946   3.321
  549    HE2  PHE  61          2HE       PHE  61  -2.142  -4.776   0.608
  550    HZ   PHE  61           HZ       PHE  61  -1.715  -5.684   2.857
  551    QB   PHE  61           QB       PHE  61   2.557  -6.120  -0.740
  552    QD   PHE  61           QD       PHE  61   0.759  -6.145   0.208
  553    QE   PHE  61           QE       PHE  61  -0.901  -5.861   1.965
  554    QR   PHE  61           QR       PHE  61  -0.400  -5.939   1.441
  555    H    PHE  62           H        PHE  62   0.614  -5.437  -4.241
  556    HA   PHE  62           HA       PHE  62   3.084  -3.889  -4.449
  557   1HB   PHE  62          2HB       PHE  62   2.437  -4.934  -6.608
  558   2HB   PHE  62          1HB       PHE  62   0.860  -4.144  -6.509
  559    HD1  PHE  62          1HD       PHE  62   4.508  -3.452  -6.717
  560    HD2  PHE  62          2HD       PHE  62   0.565  -1.982  -7.358
  561    HE1  PHE  62          1HE       PHE  62   5.430  -1.471  -7.839
  562    HE2  PHE  62          2HE       PHE  62   1.480  -0.003  -8.499
  563    HZ   PHE  62           HZ       PHE  62   3.915   0.256  -8.735
  564    QB   PHE  62           QB       PHE  62   1.648  -4.539  -6.559
  565    QD   PHE  62           QD       PHE  62   2.536  -2.717  -7.038
  566    QE   PHE  62           QE       PHE  62   3.455  -0.737  -8.169
  567    QR   PHE  62           QR       PHE  62   3.179  -1.330  -7.830
  568    H    GLN  63           H        GLN  63   2.960  -1.989  -3.500
  569    HA   GLN  63           HA       GLN  63   0.347  -0.647  -3.303
  570   1HB   GLN  63          2HB       GLN  63   0.979  -2.145  -1.261
  571   2HB   GLN  63          1HB       GLN  63   2.229  -0.970  -0.954
  572   1HG   GLN  63          2HG       GLN  63  -0.755  -0.466  -0.860
  573   2HG   GLN  63          1HG       GLN  63   0.314  -0.675   0.498
  574   1HE2  GLN  63          1HE2      GLN  63  -0.809   1.494  -1.961
  575   2HE2  GLN  63          2HE2      GLN  63  -0.013   2.887  -1.346
  576    QB   GLN  63           QB       GLN  63   1.604  -1.557  -1.108
  577    QG   GLN  63           QG       GLN  63  -0.221  -0.571  -0.181
  578    QE   GLN  63           QE2      GLN  63  -0.411   2.191  -1.653
  579    H    TRP  64           H        TRP  64   0.672   1.520  -3.818
  580    HA   TRP  64           HA       TRP  64   3.287   2.537  -3.246
  581   1HB   TRP  64          2HB       TRP  64   3.729   3.362  -5.391
  582   2HB   TRP  64          1HB       TRP  64   3.181   1.688  -5.646
  583    HD1  TRP  64           HD       TRP  64   3.123   4.945  -7.007
  584    HE1  TRP  64          1HE       TRP  64   1.227   5.304  -8.617
  585    HE3  TRP  64          3HE       TRP  64   0.202   0.975  -5.681
  586    HZ2  TRP  64          2HZ       TRP  64  -1.245   4.099  -9.276
  587    HZ3  TRP  64          3HZ       TRP  64  -1.950   0.692  -6.840
  588    HH2  TRP  64           HH       TRP  64  -2.638   2.210  -8.615
  589    QB   TRP  64           QB       TRP  64   3.455   2.525  -5.519
  590    H    LEU  65           H        LEU  65   3.279   4.993  -3.598
  591    HA   LEU  65           HA       LEU  65   0.664   6.217  -3.383
  592   1HB   LEU  65          2HB       LEU  65   1.264   7.425  -1.344
  593   2HB   LEU  65          1HB       LEU  65   1.078   5.709  -1.080
  594    HG   LEU  65           HG       LEU  65   3.771   6.861  -1.552
  595   1HD1  LEU  65          1HD1      LEU  65   2.182   6.791   0.998
  596   2HD1  LEU  65          3HD1      LEU  65   3.928   7.037   0.948
  597   3HD1  LEU  65          2HD1      LEU  65   2.860   8.218   0.188
  598   1HD2  LEU  65          1HD2      LEU  65   3.564   4.415  -1.497
  599   2HD2  LEU  65          3HD2      LEU  65   4.490   4.993  -0.112
  600   3HD2  LEU  65          2HD2      LEU  65   2.808   4.510   0.092
  601    MD1  LEU  65           QD1      LEU  65   2.990   7.349   0.711
  602    MD2  LEU  65           QD2      LEU  65   3.621   4.639  -0.505
  603    QB   LEU  65           QB       LEU  65   1.171   6.567  -1.212
  604    QD   LEU  65           QQD      LEU  65   3.305   5.994   0.103
  605    H    GLU  66           H        GLU  66   0.588   8.281  -3.938
  606    HA   GLU  66           HA       GLU  66   2.993   9.558  -5.049
  607   1HB   GLU  66          2HB       GLU  66   0.093  10.349  -5.353
  608   2HB   GLU  66          1HB       GLU  66   1.463  10.871  -6.298
  609   1HG   GLU  66          2HG       GLU  66   1.586   8.731  -7.393
  610   2HG   GLU  66          1HG       GLU  66   0.275   8.112  -6.373
  611    QB   GLU  66           QB       GLU  66   0.778  10.610  -5.826
  612    QG   GLU  66           QG       GLU  66   0.931   8.421  -6.883
  613    H    GLY  67           H        GLY  67   3.756  11.233  -3.705
  614   1HA   GLY  67          1HA       GLY  67   2.689  12.080  -1.312
  615   2HA   GLY  67          2HA       GLY  67   1.912  13.077  -2.544
  616    QA   GLY  67           QA       GLY  67   2.300  12.579  -1.928
  617    H    HIS  68           H        HIS  68   3.333  14.741  -1.048
  618    HA   HIS  68           HA       HIS  68   5.717  15.388  -2.515
  619   1HB   HIS  68          2HB       HIS  68   4.595  17.274  -1.473
  620   2HB   HIS  68          1HB       HIS  68   4.619  16.529   0.097
  621    HD1  HIS  68          1HD       HIS  68   6.672  16.783   1.527
  622    HD2  HIS  68          2HD       HIS  68   6.825  18.326  -2.230
  623    HE1  HIS  68          1HE       HIS  68   8.857  17.915   1.537
  624    HE2  HIS  68          2HE       HIS  68   8.872  19.198  -0.660
  625    QB   HIS  68           QB       HIS  68   4.607  16.902  -0.688
  626    HA   PRO  69           HA       PRO  69   8.665  12.410  -1.310
  627   1HB   PRO  69          2HB       PRO  69  10.537  14.422  -0.416
  628   2HB   PRO  69          1HB       PRO  69  10.621  13.367  -1.823
  629   1HG   PRO  69          2HG       PRO  69   9.673  16.131  -1.610
  630   2HG   PRO  69          1HG       PRO  69  10.163  15.234  -3.054
  631   1HD   PRO  69          2HD       PRO  69   7.625  15.916  -2.606
  632   2HD   PRO  69          1HD       PRO  69   8.023  14.363  -3.372
  633    QB   PRO  69           QB       PRO  69  10.579  13.894  -1.120
  634    QG   PRO  69           QG       PRO  69   9.918  15.683  -2.332
  635    QD   PRO  69           QD       PRO  69   7.824  15.139  -2.989
  636    H    ALA  70           H        ALA  70   8.625  15.042   1.108
  637    HA   ALA  70           HA       ALA  70   9.557  13.211   3.061
  638   1HB   ALA  70          3HB       ALA  70  10.172  15.549   3.234
  639   2HB   ALA  70          1HB       ALA  70   9.331  14.951   4.673
  640   3HB   ALA  70          2HB       ALA  70   8.466  15.956   3.473
  641    MB   ALA  70           QB       ALA  70   9.323  15.485   3.793
  642    H    ALA  71           H        ALA  71   6.426  14.198   2.202
  643    HA   ALA  71           HA       ALA  71   5.154  13.259   4.515
  644   1HB   ALA  71          2HB       ALA  71   4.275  13.239   1.705
  645   2HB   ALA  71          1HB       ALA  71   3.168  13.157   3.082
  646   3HB   ALA  71          3HB       ALA  71   4.106  14.650   2.768
  647    MB   ALA  71           QB       ALA  71   3.850  13.682   2.518
  648    H    VAL  72           H        VAL  72   5.961  12.002   1.402
  649    HA   VAL  72           HA       VAL  72   4.957   9.379   1.539
  650    HB   VAL  72           HB       VAL  72   7.553   9.857   0.165
  651   1HG1  VAL  72          1HG1      VAL  72   6.445   7.763  -0.046
  652   2HG1  VAL  72          3HG1      VAL  72   5.004   8.623  -0.617
  653   3HG1  VAL  72          2HG1      VAL  72   6.489   8.635  -1.608
  654   1HG2  VAL  72          1HG2      VAL  72   4.996  11.090  -0.779
  655   2HG2  VAL  72          3HG2      VAL  72   6.489  11.912  -0.262
  656   3HG2  VAL  72          2HG2      VAL  72   6.491  10.908  -1.726
  657    MG1  VAL  72           QG1      VAL  72   5.979   8.340  -0.757
  658    MG2  VAL  72           QG2      VAL  72   5.992  11.303  -0.922
  659    QG   VAL  72           QQG      VAL  72   5.986   9.822  -0.840
  660    H    ALA  73           H        ALA  73   8.032  10.824   2.427
  661    HA   ALA  73           HA       ALA  73   9.230   8.398   3.182
  662   1HB   ALA  73          1HB       ALA  73   9.955  11.149   3.998
  663   2HB   ALA  73          3HB       ALA  73  10.846   9.621   4.216
  664   3HB   ALA  73          2HB       ALA  73  10.553  10.221   2.560
  665    MB   ALA  73           QB       ALA  73  10.451  10.330   3.591
  666    H    GLU  74           H        GLU  74   7.506  10.855   5.078
  667    HA   GLU  74           HA       GLU  74   8.031   9.571   7.569
  668   1HB   GLU  74          2HB       GLU  74   6.780  11.805   7.385
  669   2HB   GLU  74          1HB       GLU  74   5.361  10.866   6.921
  670   1HG   GLU  74          2HG       GLU  74   5.815   9.515   9.070
  671   2HG   GLU  74          1HG       GLU  74   6.806  10.884   9.546
  672    QB   GLU  74           QB       GLU  74   6.070  11.336   7.153
  673    QG   GLU  74           QG       GLU  74   6.311  10.200   9.308
  674    H    VAL  75           H        VAL  75   5.592   9.172   5.134
  675    HA   VAL  75           HA       VAL  75   4.226   7.037   6.241
  676    HB   VAL  75           HB       VAL  75   4.707   7.855   3.379
  677   1HG1  VAL  75          2HG1      VAL  75   2.924   5.666   4.426
  678   2HG1  VAL  75          1HG1      VAL  75   2.890   6.329   2.780
  679   3HG1  VAL  75          3HG1      VAL  75   4.333   5.507   3.368
  680   1HG2  VAL  75          3HG2      VAL  75   2.357   8.096   5.246
  681   2HG2  VAL  75          2HG2      VAL  75   3.391   9.387   4.655
  682   3HG2  VAL  75          1HG2      VAL  75   2.342   8.524   3.535
  683    MG1  VAL  75           QG1      VAL  75   3.383   5.834   3.525
  684    MG2  VAL  75           QG2      VAL  75   2.697   8.669   4.479
  685    QG   VAL  75           QQG      VAL  75   3.040   7.252   4.002
  686    H    MET  76           H        MET  76   7.037   6.956   3.918
  687    HA   MET  76           HA       MET  76   7.518   4.316   3.945
  688   1HB   MET  76          2HB       MET  76   9.506   6.558   4.060
  689   2HB   MET  76          1HB       MET  76   9.912   4.934   3.604
  690   1HG   MET  76          2HG       MET  76   7.894   6.501   2.154
  691   2HG   MET  76          1HG       MET  76   9.604   6.660   1.724
  692   1HE   MET  76          3HE       MET  76   6.446   4.714   1.908
  693   2HE   MET  76          2HE       MET  76   6.617   3.290   0.847
  694   3HE   MET  76          1HE       MET  76   7.370   3.325   2.459
  695    QB   MET  76           QB       MET  76   9.709   5.746   3.832
  696    QG   MET  76           QG       MET  76   8.749   6.580   1.939
  697    ME   MET  76           QE       MET  76   6.811   3.776   1.738
  698    H    SER  77           H        SER  77   8.741   6.661   6.302
  699    HA   SER  77           HA       SER  77  10.055   4.899   7.967
  700   1HB   SER  77          2HB       SER  77  10.095   7.367   8.196
  701   2HB   SER  77          1HB       SER  77   8.427   7.345   8.737
  702    HG   SER  77           HG       SER  77  10.012   7.528  10.376
  703    QB   SER  77           QB       SER  77   9.261   7.356   8.467
  704    H    HIS  78           H        HIS  78   6.594   5.742   8.020
  705    HA   HIS  78           HA       HIS  78   5.772   4.126  10.214
  706   1HB   HIS  78          2HB       HIS  78   4.241   5.048   7.780
  707   2HB   HIS  78          1HB       HIS  78   3.507   4.058   9.018
  708    HD1  HIS  78          1HD       HIS  78   1.885   5.617   9.948
  709    HD2  HIS  78          2HD       HIS  78   5.635   7.338   9.688
  710    HE1  HIS  78          1HE       HIS  78   1.638   7.911  10.942
  711    HE2  HIS  78          2HE       HIS  78   3.776   9.023  10.315
  712    QB   HIS  78           QB       HIS  78   3.874   4.553   8.399
  713    H    ILE  79           H        ILE  79   5.987   3.413   6.772
  714    HA   ILE  79           HA       ILE  79   4.769   0.795   7.139
  715    HB   ILE  79           HB       ILE  79   5.981   1.689   4.530
  716   1HG1  ILE  79          2HG1      ILE  79   3.244   2.396   5.592
  717   2HG1  ILE  79          1HG1      ILE  79   4.531   3.535   5.238
  718   1HG2  ILE  79          3HG2      ILE  79   5.173  -0.588   4.906
  719   2HG2  ILE  79          2HG2      ILE  79   3.582   0.068   5.315
  720   3HG2  ILE  79          1HG2      ILE  79   4.209   0.246   3.667
  721   1HD1  ILE  79          1HD1      ILE  79   4.420   2.925   2.870
  722   2HD1  ILE  79          3HD1      ILE  79   3.101   1.806   3.232
  723   3HD1  ILE  79          2HD1      ILE  79   2.881   3.543   3.467
  724    MG   ILE  79           QG2      ILE  79   4.321  -0.091   4.629
  725    MD   ILE  79           QD1      ILE  79   3.467   2.758   3.190
  726    QG   ILE  79           QG1      ILE  79   3.888   2.965   5.415
  727    H    GLN  80           H        GLN  80   7.986   2.034   6.385
  728    HA   GLN  80           HA       GLN  80   9.145  -0.468   5.924
  729   1HB   GLN  80          2HB       GLN  80  10.415   2.137   6.785
  730   2HB   GLN  80          1HB       GLN  80  11.313   0.710   6.271
  731   1HG   GLN  80          2HG       GLN  80   9.415   2.347   4.523
  732   2HG   GLN  80          1HG       GLN  80  11.127   2.217   4.360
  733   1HE2  GLN  80          1HE2      GLN  80   8.241   0.656   3.968
  734   2HE2  GLN  80          2HE2      GLN  80   8.949  -0.601   2.991
  735    QB   GLN  80           QB       GLN  80  10.864   1.424   6.528
  736    QG   GLN  80           QG       GLN  80  10.271   2.282   4.441
  737    QE   GLN  80           QE2      GLN  80   8.595   0.028   3.480
  738    H    ARG  81           H        ARG  81   8.325   1.193   8.806
  739    HA   ARG  81           HA       ARG  81   9.735  -0.570  10.567
  740   1HB   ARG  81          2HB       ARG  81   7.709   1.591  10.804
  741   2HB   ARG  81          1HB       ARG  81   7.770   0.415  12.096
  742   1HG   ARG  81          2HG       ARG  81   9.047   2.457  12.550
  743   2HG   ARG  81          1HG       ARG  81  10.018   0.984  12.613
  744   1HD   ARG  81          2HD       ARG  81  11.035   1.494  10.532
  745   2HD   ARG  81          1HD       ARG  81   9.889   2.806  10.223
  746    HE   ARG  81           HE       ARG  81  11.246   3.259  12.634
  747   1HH1  ARG  81          1HH1      ARG  81  12.047   3.261   9.177
  748   2HH1  ARG  81          2HH1      ARG  81  13.097   4.592   9.306
  749   1HH2  ARG  81          1HH2      ARG  81  12.675   5.041  12.784
  750   2HH2  ARG  81          2HH2      ARG  81  13.485   5.617  11.385
  751    QB   ARG  81           QB       ARG  81   7.740   1.003  11.450
  752    QG   ARG  81           QG       ARG  81   9.533   1.721  12.582
  753    QD   ARG  81           QD       ARG  81  10.462   2.150  10.378
  754    QH1  ARG  81           QH1      ARG  81  12.572   3.927   9.242
  755    QH2  ARG  81           QH2      ARG  81  13.080   5.329  12.085
  756    H    ASP  82           H        ASP  82   8.044  -1.772   8.416
  757    HA   ASP  82           HA       ASP  82   5.772  -2.771   8.805
  758   1HB   ASP  82          2HB       ASP  82   6.646  -3.406   7.038
  759   2HB   ASP  82          1HB       ASP  82   8.173  -4.079   7.636
  760    QB   ASP  82           QB       ASP  82   7.410  -3.743   7.337
  761    H    ARG  83           H        ARG  83   4.787  -4.176   9.398
  762    HA   ARG  83           HA       ARG  83   5.162  -5.817  11.738
  763   1HB   ARG  83          2HB       ARG  83   3.639  -4.295  13.155
  764   2HB   ARG  83          1HB       ARG  83   5.321  -3.810  12.952
  765   1HG   ARG  83          2HG       ARG  83   4.599  -2.333  11.091
  766   2HG   ARG  83          1HG       ARG  83   2.930  -2.702  11.485
  767   1HD   ARG  83          2HD       ARG  83   4.901  -1.471  13.430
  768   2HD   ARG  83          1HD       ARG  83   3.668  -0.570  12.550
  769    HE   ARG  83           HE       ARG  83   2.149  -2.325  13.756
  770   1HH1  ARG  83          1HH1      ARG  83   4.892  -0.575  15.205
  771   2HH1  ARG  83          2HH1      ARG  83   4.212  -0.546  16.761
  772   1HH2  ARG  83          1HH2      ARG  83   1.240  -2.257  15.887
  773   2HH2  ARG  83          2HH2      ARG  83   2.082  -1.506  17.163
  774    QB   ARG  83           QB       ARG  83   4.480  -4.052  13.054
  775    QG   ARG  83           QG       ARG  83   3.764  -2.518  11.288
  776    QD   ARG  83           QD       ARG  83   4.284  -1.021  12.990
  777    QH1  ARG  83           QH1      ARG  83   4.552  -0.561  15.983
  778    QH2  ARG  83           QH2      ARG  83   1.661  -1.881  16.525
  779    H    ARG  84           H        ARG  84   3.863  -5.678   8.985
  780    HA   ARG  84           HA       ARG  84   1.202  -6.641   9.715
  781   1HB   ARG  84          2HB       ARG  84   1.683  -4.648   7.489
  782   2HB   ARG  84          1HB       ARG  84   0.158  -5.373   7.912
  783   1HG   ARG  84          2HG       ARG  84   1.700  -3.478   9.662
  784   2HG   ARG  84          1HG       ARG  84   0.415  -2.999   8.567
  785   1HD   ARG  84          2HD       ARG  84  -1.119  -4.522   9.852
  786   2HD   ARG  84          1HD       ARG  84   0.190  -4.747  11.022
  787    HE   ARG  84           HE       ARG  84   0.119  -2.141  10.840
  788   1HH1  ARG  84          1HH1      ARG  84  -2.458  -4.471  11.711
  789   2HH1  ARG  84          2HH1      ARG  84  -3.503  -3.239  12.255
  790   1HH2  ARG  84          1HH2      ARG  84  -1.416  -0.490  11.662
  791   2HH2  ARG  84          2HH2      ARG  84  -2.931  -1.004  12.223
  792    QB   ARG  84           QB       ARG  84   0.920  -5.010   7.700
  793    QG   ARG  84           QG       ARG  84   1.058  -3.239   9.114
  794    QD   ARG  84           QD       ARG  84  -0.465  -4.635  10.437
  795    QH1  ARG  84           QH1      ARG  84  -2.980  -3.855  11.983
  796    QH2  ARG  84           QH2      ARG  84  -2.173  -0.747  11.943
  797    H    HIS  85           H        HIS  85   2.984  -5.714   6.877
  798    HA   HIS  85           HA       HIS  85   2.287  -8.079   5.434
  799   1HB   HIS  85          2HB       HIS  85   3.243  -6.796   3.473
  800   2HB   HIS  85          1HB       HIS  85   1.885  -6.028   4.257
  801    HD1  HIS  85          1HD       HIS  85   2.712  -3.723   3.106
  802    HD2  HIS  85          2HD       HIS  85   5.383  -5.214   5.939
  803    HE1  HIS  85          1HE       HIS  85   4.436  -1.932   3.768
  804    HE2  HIS  85          2HE       HIS  85   5.606  -2.829   5.595
  805    QB   HIS  85           QB       HIS  85   2.564  -6.412   3.865
  806    H    SER  86           H        SER  86   4.509  -8.053   3.705
  807    HA   SER  86           HA       SER  86   6.528  -8.855   5.551
  808   1HB   SER  86          2HB       SER  86   5.137  -9.987   3.554
  809   2HB   SER  86          1HB       SER  86   6.848 -10.620   3.588
  810    HG   SER  86           HG       SER  86   5.516 -10.357   5.974
  811    QB   SER  86           QB       SER  86   5.992 -10.303   3.571
  812    H    ASN  87           H        ASN  87   8.154  -7.689   5.324
  813    HA   ASN  87           HA       ASN  87  10.115  -6.894   4.652
  814   1HB   ASN  87          2HB       ASN  87   9.600  -8.363   2.102
  815   2HB   ASN  87          1HB       ASN  87  11.018  -7.339   2.286
  816   1HD2  ASN  87          1HD2      ASN  87   9.435 -10.245   3.308
  817   2HD2  ASN  87          2HD2      ASN  87  10.791 -10.920   4.117
  818    QB   ASN  87           QB       ASN  87  10.309  -7.851   2.194
  819    QD   ASN  87           QD2      ASN  87  10.113 -10.583   3.713
  820    H    VAL  88           H        VAL  88   7.617  -5.946   2.837
  821    HA   VAL  88           HA       VAL  88   7.353  -4.271   1.327
  822    HB   VAL  88           HB       VAL  88   6.413  -3.559   3.392
  823   1HG1  VAL  88          3HG1      VAL  88   8.092  -3.712   4.833
  824   2HG1  VAL  88          2HG1      VAL  88   8.934  -2.251   4.117
  825   3HG1  VAL  88          1HG1      VAL  88   7.263  -2.136   4.794
  826   1HG2  VAL  88          2HG2      VAL  88   7.723  -1.378   1.816
  827   2HG2  VAL  88          1HG2      VAL  88   6.049  -1.898   1.715
  828   3HG2  VAL  88          3HG2      VAL  88   6.652  -0.997   3.128
  829    MG1  VAL  88           QG1      VAL  88   8.096  -2.700   4.582
  830    MG2  VAL  88           QG2      VAL  88   6.808  -1.425   2.219
  831    QG   VAL  88           QQG      VAL  88   7.452  -2.062   3.401
  832    H    GLU  89           H        GLU  89   8.999  -4.671  -0.121
  833    HA   GLU  89           HA       GLU  89  11.361  -3.043   0.152
  834   1HB   GLU  89          2HB       GLU  89  10.586  -5.018  -1.977
  835   2HB   GLU  89          1HB       GLU  89  12.193  -4.344  -1.701
  836   1HG   GLU  89          2HG       GLU  89  12.363  -5.416   0.405
  837   2HG   GLU  89          1HG       GLU  89  10.657  -5.863   0.220
  838    QB   GLU  89           QB       GLU  89  11.390  -4.681  -1.839
  839    QG   GLU  89           QG       GLU  89  11.510  -5.639   0.313
  840    H    ILE  90           H        ILE  90  10.321  -1.131  -0.073
  841    HA   ILE  90           HA       ILE  90   8.879   0.059  -2.074
  842    HB   ILE  90           HB       ILE  90  11.516   1.290  -1.310
  843   1HG1  ILE  90          2HG1      ILE  90  10.674   0.474   0.770
  844   2HG1  ILE  90          1HG1      ILE  90  10.450   2.214   0.726
  845   1HG2  ILE  90          2HG2      ILE  90   8.757   2.472  -1.741
  846   2HG2  ILE  90          1HG2      ILE  90  10.130   3.388  -1.211
  847   3HG2  ILE  90          3HG2      ILE  90  10.153   2.678  -2.826
  848   1HD1  ILE  90          3HD1      ILE  90   8.127   1.879   0.095
  849   2HD1  ILE  90          2HD1      ILE  90   8.379   0.135   0.211
  850   3HD1  ILE  90          1HD1      ILE  90   8.516   1.141   1.659
  851    MG   ILE  90           QG2      ILE  90   9.680   2.846  -1.926
  852    MD   ILE  90           QD1      ILE  90   8.341   1.052   0.655
  853    QG   ILE  90           QG1      ILE  90  10.562   1.344   0.748
  854    H    LEU  91           H        LEU  91  12.262   0.091  -2.382
  855    HA   LEU  91           HA       LEU  91  13.702  -0.427  -4.014
  856   1HB   LEU  91          2HB       LEU  91  11.416  -2.004  -5.188
  857   2HB   LEU  91          1HB       LEU  91  13.051  -2.042  -5.810
  858    HG   LEU  91           HG       LEU  91  12.161  -3.031  -3.068
  859   1HD1  LEU  91          1HD1      LEU  91  13.106  -4.502  -5.514
  860   2HD1  LEU  91          3HD1      LEU  91  12.735  -5.215  -3.943
  861   3HD1  LEU  91          2HD1      LEU  91  11.456  -4.457  -4.893
  862   1HD2  LEU  91          2HD2      LEU  91  14.884  -3.048  -4.382
  863   2HD2  LEU  91          1HD2      LEU  91  14.427  -2.099  -2.970
  864   3HD2  LEU  91          3HD2      LEU  91  14.465  -3.859  -2.873
  865    MD1  LEU  91           QD1      LEU  91  12.432  -4.724  -4.783
  866    MD2  LEU  91           QD2      LEU  91  14.592  -3.002  -3.408
  867    QB   LEU  91           QB       LEU  91  12.234  -2.023  -5.499
  868    QD   LEU  91           QQD      LEU  91  13.512  -3.863  -4.096
  869    H    ALA  92           H        ALA  92  10.718   1.015  -4.837
  870    HA   ALA  92           HA       ALA  92  12.019   2.421  -7.069
  871   1HB   ALA  92          2HB       ALA  92  10.441   0.836  -7.978
  872   2HB   ALA  92          3HB       ALA  92   9.813   2.484  -8.156
  873   3HB   ALA  92          1HB       ALA  92   9.199   1.438  -6.877
  874    MB   ALA  92           QB       ALA  92   9.818   1.586  -7.670
  875    H    GLU  93           H        GLU  93  12.306   4.413  -6.391
  876    HA   GLU  93           HA       GLU  93   9.983   5.807  -5.300
  877   1HB   GLU  93          2HB       GLU  93  12.871   6.403  -4.461
  878   2HB   GLU  93          1HB       GLU  93  11.383   7.171  -3.915
  879   1HG   GLU  93          2HG       GLU  93  10.644   5.303  -2.854
  880   2HG   GLU  93          1HG       GLU  93  12.042   4.344  -3.377
  881    QB   GLU  93           QB       GLU  93  12.127   6.787  -4.188
  882    QG   GLU  93           QG       GLU  93  11.343   4.824  -3.115
  883    H    GLU  94           H        GLU  94   9.371   7.119  -6.850
  884    HA   GLU  94           HA       GLU  94  11.444   8.328  -8.538
  885   1HB   GLU  94          2HB       GLU  94   9.732   8.262 -10.386
  886   2HB   GLU  94          1HB       GLU  94  10.361   6.698  -9.890
  887   1HG   GLU  94          2HG       GLU  94   8.332   6.297  -8.586
  888   2HG   GLU  94          1HG       GLU  94   7.719   7.878  -9.072
  889    QB   GLU  94           QB       GLU  94  10.046   7.480 -10.138
  890    QG   GLU  94           QG       GLU  94   8.025   7.087  -8.829
  891    H    SER  95           H        SER  95  11.254  10.508  -8.959
  892    HA   SER  95           HA       SER  95   9.335  11.897  -7.372
  893   1HB   SER  95          2HB       SER  95  11.580  12.820  -7.635
  894   2HB   SER  95          1HB       SER  95  11.317  13.031  -9.372
  895    HG   SER  95           HG       SER  95   9.478  14.131  -7.568
  896    QB   SER  95           QB       SER  95  11.448  12.926  -8.504
  897    H    ILE  96           H        ILE  96   7.440  12.482  -7.967
  898    HA   ILE  96           HA       ILE  96   6.743  12.366 -10.837
  899    HB   ILE  96           HB       ILE  96   4.549  11.783 -10.230
  900   1HG1  ILE  96          2HG1      ILE  96   5.612  11.095  -7.499
  901   2HG1  ILE  96          1HG1      ILE  96   4.777  12.599  -7.825
  902   1HG2  ILE  96          2HG2      ILE  96   6.158  10.114 -10.971
  903   2HG2  ILE  96          1HG2      ILE  96   6.698   9.871  -9.312
  904   3HG2  ILE  96          3HG2      ILE  96   5.065   9.385  -9.789
  905   1HD1  ILE  96          2HD1      ILE  96   3.448  10.009  -8.476
  906   2HD1  ILE  96          1HD1      ILE  96   3.523  10.665  -6.813
  907   3HD1  ILE  96          3HD1      ILE  96   2.807  11.609  -8.079
  908    MG   ILE  96           QG2      ILE  96   5.974   9.790 -10.024
  909    MD   ILE  96           QD1      ILE  96   3.259  10.761  -7.789
  910    QG   ILE  96           QG1      ILE  96   5.195  11.847  -7.662
  911    H    ALA  97           H        ALA  97   4.651  13.411 -11.353
  912    HA   ALA  97           HA       ALA  97   4.422  15.955  -9.937
  913   1HB   ALA  97          3HB       ALA  97   5.056  16.148 -12.302
  914   2HB   ALA  97          2HB       ALA  97   3.571  15.200 -12.643
  915   3HB   ALA  97          1HB       ALA  97   3.433  16.815 -11.927
  916    MB   ALA  97           QB       ALA  97   4.020  16.055 -12.291
  917    H    LYS  98           H        LYS  98   3.371  13.254  -9.917
  918    HA   LYS  98           HA       LYS  98   1.550  12.059  -9.274
  919   1HB   LYS  98          2HB       LYS  98   1.973  14.042  -7.791
  920   2HB   LYS  98          1HB       LYS  98   0.531  14.664  -8.533
  921   1HG   LYS  98          2HG       LYS  98  -0.059  12.063  -7.781
  922   2HG   LYS  98          1HG       LYS  98   1.035  12.772  -6.642
  923   1HD   LYS  98          2HD       LYS  98  -0.800  14.747  -7.049
  924   2HD   LYS  98          1HD       LYS  98  -1.706  13.254  -6.659
  925   1HE   LYS  98          2HE       LYS  98  -0.096  12.873  -4.961
  926   2HE   LYS  98          1HE       LYS  98   0.589  14.475  -5.294
  927   1HZ   LYS  98          2HZ       LYS  98  -2.256  14.046  -4.526
  928   2HZ   LYS  98          1HZ       LYS  98  -1.087  14.521  -3.399
  929   3HZ   LYS  98          3HZ       LYS  98  -1.502  15.515  -4.705
  930    QB   LYS  98           QB       LYS  98   1.252  14.353  -8.162
  931    QD   LYS  98           QD       LYS  98  -1.253  14.001  -6.854
  932    QG   LYS  98           QG       LYS  98   0.488  12.418  -7.212
  933    QE   LYS  98           QE       LYS  98   0.247  13.674  -5.128
  934    QZ   LYS  98           QZ       LYS  98  -1.615  14.694  -4.210
  935    H    ARG  99           H        ARG  99  -0.983  12.748  -9.147
  936    HA   ARG  99           HA       ARG  99  -2.902  13.380 -10.145
  937   1HB   ARG  99          2HB       ARG  99  -1.739  15.177 -11.396
  938   2HB   ARG  99          1HB       ARG  99  -1.267  14.028 -12.617
  939   1HG   ARG  99          2HG       ARG  99  -3.091  15.426 -13.380
  940   2HG   ARG  99          1HG       ARG  99  -3.607  13.747 -13.260
  941   1HD   ARG  99          2HD       ARG  99  -4.793  14.178 -11.234
  942   2HD   ARG  99          1HD       ARG  99  -4.104  15.798 -11.105
  943    HE   ARG  99           HE       ARG  99  -6.275  14.936 -12.817
  944   1HH1  ARG  99          1HH1      ARG  99  -3.944  17.474 -11.997
  945   2HH1  ARG  99          2HH1      ARG  99  -4.666  18.622 -13.043
  946   1HH2  ARG  99          1HH2      ARG  99  -7.334  16.618 -14.100
  947   2HH2  ARG  99          2HH2      ARG  99  -6.620  18.187 -14.115
  948    QB   ARG  99           QB       ARG  99  -1.503  14.603 -12.006
  949    QG   ARG  99           QG       ARG  99  -3.349  14.587 -13.320
  950    QD   ARG  99           QD       ARG  99  -4.448  14.988 -11.169
  951    QH1  ARG  99           QH1      ARG  99  -4.305  18.048 -12.520
  952    QH2  ARG  99           QH2      ARG  99  -6.977  17.403 -14.107
  953    H    ARG 100           H        ARG 100  -1.437  10.797 -10.173
  954    HA   ARG 100           HA       ARG 100  -2.752   9.463 -12.356
  955   1HB   ARG 100          2HB       ARG 100  -1.332   8.364  -9.939
  956   2HB   ARG 100          1HB       ARG 100  -1.768   7.461 -11.391
  957   1HG   ARG 100          2HG       ARG 100  -0.273   8.749 -12.725
  958   2HG   ARG 100          1HG       ARG 100   0.006   9.844 -11.357
  959   1HD   ARG 100          2HD       ARG 100   1.114   8.092 -10.123
  960   2HD   ARG 100          1HD       ARG 100   0.668   6.892 -11.332
  961    HE   ARG 100           HE       ARG 100   2.116   8.606 -12.761
  962   1HH1  ARG 100          1HH1      ARG 100   2.807   7.265  -9.555
  963   2HH1  ARG 100          2HH1      ARG 100   4.449   6.963  -9.891
  964   1HH2  ARG 100          1HH2      ARG 100   4.413   8.253 -13.156
  965   2HH2  ARG 100          2HH2      ARG 100   5.394   7.573 -11.919
  966    QB   ARG 100           QB       ARG 100  -1.550   7.912 -10.665
  967    QG   ARG 100           QG       ARG 100  -0.134   9.297 -12.041
  968    QD   ARG 100           QD       ARG 100   0.891   7.492 -10.728
  969    QH1  ARG 100           QH1      ARG 100   3.628   7.114  -9.723
  970    QH2  ARG 100           QH2      ARG 100   4.903   7.913 -12.537
  971    H    PHE 101           H        PHE 101  -2.998   9.620  -8.813
  972    HA   PHE 101           HA       PHE 101  -5.841   8.978  -9.043
  973   1HB   PHE 101          2HB       PHE 101  -3.837   8.048  -6.959
  974   2HB   PHE 101          1HB       PHE 101  -5.578   7.964  -6.713
  975    HD1  PHE 101          1HD       PHE 101  -6.742   6.072  -7.375
  976    HD2  PHE 101          2HD       PHE 101  -2.900   6.819  -9.046
  977    HE1  PHE 101          1HE       PHE 101  -6.798   3.887  -8.498
  978    HE2  PHE 101          2HE       PHE 101  -2.965   4.642 -10.170
  979    HZ   PHE 101           HZ       PHE 101  -4.893   3.169  -9.894
  980    QB   PHE 101           QB       PHE 101  -4.707   8.006  -6.836
  981    QD   PHE 101           QD       PHE 101  -4.821   6.446  -8.211
  982    QE   PHE 101           QE       PHE 101  -4.882   4.264  -9.334
  983    QR   PHE 101           QR       PHE 101  -4.860   4.918  -8.997
  984    H    ALA 102           H        ALA 102  -7.036   9.862  -7.101
  985    HA   ALA 102           HA       ALA 102  -5.770  12.334  -6.157
  986   1HB   ALA 102          1HB       ALA 102  -7.573  12.799  -7.749
  987   2HB   ALA 102          3HB       ALA 102  -8.690  11.882  -6.741
  988   3HB   ALA 102          2HB       ALA 102  -7.981  13.379  -6.135
  989    MB   ALA 102           QB       ALA 102  -8.081  12.686  -6.875
  990    H    GLY 103           H        GLY 103  -6.916   9.375  -5.287
  991   1HA   GLY 103          1HA       GLY 103  -8.160   9.299  -2.982
  992   2HA   GLY 103          2HA       GLY 103  -6.633  10.040  -2.494
  993    QA   GLY 103           QA       GLY 103  -7.397   9.670  -2.738
  994    H    TRP 104           H        TRP 104  -6.005   8.142  -1.274
  995    HA   TRP 104           HA       TRP 104  -4.884   6.064  -2.878
  996   1HB   TRP 104          2HB       TRP 104  -3.561   6.718  -0.970
  997   2HB   TRP 104          1HB       TRP 104  -4.928   6.588   0.110
  998    HD1  TRP 104           HD       TRP 104  -1.997   4.570  -1.191
  999    HE1  TRP 104          1HE       TRP 104  -2.093   2.229  -0.131
 1000    HE3  TRP 104          3HE       TRP 104  -6.645   4.790   0.883
 1001    HZ2  TRP 104          2HZ       TRP 104  -3.988   0.701   1.411
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.497   3.115   2.012
 1003    HH2  TRP 104           HH       TRP 104  -6.309   1.039   2.347
 1004    QB   TRP 104           QB       TRP 104  -4.244   6.653  -0.430
 1005    H    HIS 105           H        HIS 105  -5.457   3.854  -2.926
 1006    HA   HIS 105           HA       HIS 105  -8.223   3.337  -2.067
 1007   1HB   HIS 105          2HB       HIS 105  -6.864   2.943  -4.668
 1008   2HB   HIS 105          1HB       HIS 105  -8.305   1.989  -4.262
 1009    HD1  HIS 105          1HD       HIS 105  -7.174   5.233  -5.585
 1010    HD2  HIS 105          2HD       HIS 105 -10.663   3.677  -3.958
 1011    HE1  HIS 105          1HE       HIS 105  -9.011   6.787  -6.294
 1012    HE2  HIS 105          2HE       HIS 105 -11.075   5.910  -5.143
 1013    QB   HIS 105           QB       HIS 105  -7.584   2.466  -4.465
 1014    H    MET 106           H        MET 106  -8.649   1.201  -1.494
 1015    HA   MET 106           HA       MET 106  -6.301  -0.540  -1.271
 1016   1HB   MET 106          2HB       MET 106  -8.040   0.125   0.689
 1017   2HB   MET 106          1HB       MET 106  -8.970  -1.164  -0.044
 1018   1HG   MET 106          2HG       MET 106  -6.204  -1.416   1.110
 1019   2HG   MET 106          1HG       MET 106  -7.693  -1.948   1.866
 1020   1HE   MET 106          3HE       MET 106  -6.528  -4.216   2.317
 1021   2HE   MET 106          2HE       MET 106  -5.813  -5.275   1.078
 1022   3HE   MET 106          1HE       MET 106  -5.073  -3.716   1.456
 1023    QB   MET 106           QB       MET 106  -8.505  -0.520   0.323
 1024    QG   MET 106           QG       MET 106  -6.949  -1.682   1.488
 1025    ME   MET 106           QE       MET 106  -5.805  -4.402   1.617
 1026    H    GLN 107           H        GLN 107  -6.489  -2.578  -2.307
 1027    HA   GLN 107           HA       GLN 107  -8.009  -2.510  -4.703
 1028   1HB   GLN 107          2HB       GLN 107  -5.754  -3.638  -4.351
 1029   2HB   GLN 107          1HB       GLN 107  -6.612  -4.934  -3.543
 1030   1HG   GLN 107          2HG       GLN 107  -7.138  -4.139  -6.408
 1031   2HG   GLN 107          1HG       GLN 107  -5.933  -5.327  -5.955
 1032   1HE2  GLN 107          1HE2      GLN 107  -9.316  -4.666  -6.330
 1033   2HE2  GLN 107          2HE2      GLN 107  -9.851  -6.276  -6.067
 1034    QB   GLN 107           QB       GLN 107  -6.183  -4.286  -3.947
 1035    QG   GLN 107           QG       GLN 107  -6.535  -4.733  -6.182
 1036    QE   GLN 107           QE2      GLN 107  -9.583  -5.471  -6.198
 1037    H    LEU 108           H        LEU 108  -8.114  -5.020  -2.207
 1038    HA   LEU 108           HA       LEU 108 -10.861  -5.449  -3.010
 1039   1HB   LEU 108          2HB       LEU 108 -10.766  -7.669  -1.890
 1040   2HB   LEU 108          1HB       LEU 108  -9.657  -7.489  -3.212
 1041    HG   LEU 108           HG       LEU 108  -8.668  -8.849  -1.514
 1042   1HD1  LEU 108          2HD1      LEU 108  -7.107  -7.428  -2.670
 1043   2HD1  LEU 108          1HD1      LEU 108  -7.257  -6.213  -1.402
 1044   3HD1  LEU 108          3HD1      LEU 108  -6.581  -7.798  -1.028
 1045   1HD2  LEU 108          1HD2      LEU 108  -9.106  -6.609   0.445
 1046   2HD2  LEU 108          3HD2      LEU 108  -9.912  -8.178   0.435
 1047   3HD2  LEU 108          2HD2      LEU 108  -8.181  -8.078   0.767
 1048    MD1  LEU 108           QD1      LEU 108  -6.982  -7.146  -1.700
 1049    MD2  LEU 108           QD2      LEU 108  -9.066  -7.622   0.549
 1050    QB   LEU 108           QB       LEU 108 -10.211  -7.579  -2.551
 1051    QD   LEU 108           QQD      LEU 108  -8.024  -7.384  -0.576
 1052    H    SER 109           H        SER 109  -9.085  -4.206  -0.440
 1053    HA   SER 109           HA       SER 109  -9.561  -3.244   1.484
 1054   1HB   SER 109          2HB       SER 109 -12.460  -3.415   0.623
 1055   2HB   SER 109          1HB       SER 109 -11.818  -2.369   1.895
 1056    HG   SER 109           HG       SER 109 -11.945  -1.951  -0.719
 1057    QB   SER 109           QB       SER 109 -12.139  -2.892   1.259
 1058    H    CYS 110           H        CYS 110 -12.100  -5.656   1.063
 1059    HA   CYS 110           HA       CYS 110 -11.144  -7.059   3.435
 1060   1HB   CYS 110          2HB       CYS 110 -13.032  -5.641   4.202
 1061   2HB   CYS 110          1HB       CYS 110 -14.043  -6.300   2.928
 1062    HG   CYS 110           HG       CYS 110 -14.362  -7.215   5.767
 1063    QB   CYS 110           QB       CYS 110 -13.537  -5.970   3.565
 1064    H    SER 111           H        SER 111 -13.605  -7.030   0.841
 1065    HA   SER 111           HA       SER 111 -12.556  -9.178  -0.566
 1066   1HB   SER 111          2HB       SER 111 -14.528 -10.733  -0.161
 1067   2HB   SER 111          1HB       SER 111 -13.429 -10.606   1.212
 1068    HG   SER 111           HG       SER 111 -15.806 -10.438   1.560
 1069    QB   SER 111           QB       SER 111 -13.979 -10.669   0.526
 1070    H    GLU 112           H        GLU 112 -14.483  -9.812  -2.217
 1071    HA   GLU 112           HA       GLU 112 -15.974  -7.360  -2.662
 1072   1HB   GLU 112          2HB       GLU 112 -16.170  -8.455  -5.098
 1073   2HB   GLU 112          1HB       GLU 112 -14.814  -7.449  -4.649
 1074   1HG   GLU 112          2HG       GLU 112 -14.187  -9.500  -5.906
 1075   2HG   GLU 112          1HG       GLU 112 -13.405  -9.367  -4.333
 1076    QB   GLU 112           QB       GLU 112 -15.492  -7.952  -4.874
 1077    QG   GLU 112           QG       GLU 112 -13.796  -9.434  -5.119
 1078    H    ALA 113           H        ALA 113 -16.154 -10.841  -2.586
 1079    HA   ALA 113           HA       ALA 113 -17.795 -12.297  -2.110
 1080   1HB   ALA 113          1HB       ALA 113 -19.703 -11.607  -0.779
 1081   2HB   ALA 113          2HB       ALA 113 -19.397  -9.915  -1.177
 1082   3HB   ALA 113          3HB       ALA 113 -18.241 -10.812  -0.193
 1083    MB   ALA 113           QB       ALA 113 -19.114 -10.778  -0.716
 1084    H    ASP 114           H        ASP 114 -17.689 -10.799  -4.680
 1085    HA   ASP 114           HA       ASP 114 -20.434 -11.424  -5.584
 1086   1HB   ASP 114          2HB       ASP 114 -20.084  -8.988  -5.523
 1087   2HB   ASP 114          1HB       ASP 114 -18.725  -9.161  -6.623
 1088    QB   ASP 114           QB       ASP 114 -19.404  -9.074  -6.073
 1089    H    MET 115           H        MET 115 -17.015 -11.532  -6.277
 1090    HA   MET 115           HA       MET 115 -17.531 -12.957  -8.780
 1091   1HB   MET 115          2HB       MET 115 -14.892 -12.206  -7.482
 1092   2HB   MET 115          1HB       MET 115 -15.108 -12.861  -9.092
 1093   1HG   MET 115          2HG       MET 115 -16.033 -10.153  -8.158
 1094   2HG   MET 115          1HG       MET 115 -14.579 -10.480  -9.093
 1095   1HE   MET 115          3HE       MET 115 -16.710  -8.334  -9.928
 1096   2HE   MET 115          2HE       MET 115 -15.272  -8.699 -10.882
 1097   3HE   MET 115          1HE       MET 115 -16.850  -8.647 -11.659
 1098    QB   MET 115           QB       MET 115 -15.000 -12.534  -8.287
 1099    QG   MET 115           QG       MET 115 -15.306 -10.317  -8.626
 1100    ME   MET 115           QE       MET 115 -16.277  -8.560 -10.823
 1101    H    ARG 116           H        ARG 116 -15.858 -13.128  -5.699
 1102    HA   ARG 116           HA       ARG 116 -15.250 -14.708  -4.294
 1103   1HB   ARG 116          2HB       ARG 116 -17.214 -16.393  -5.793
 1104   2HB   ARG 116          1HB       ARG 116 -16.196 -17.082  -4.534
 1105   1HG   ARG 116          2HG       ARG 116 -18.308 -16.643  -3.564
 1106   2HG   ARG 116          1HG       ARG 116 -17.223 -15.401  -2.955
 1107   1HD   ARG 116          2HD       ARG 116 -19.351 -14.443  -3.531
 1108   2HD   ARG 116          1HD       ARG 116 -18.105 -13.855  -4.628
 1109    HE   ARG 116           HE       ARG 116 -19.063 -15.915  -6.012
 1110   1HH1  ARG 116          1HH1      ARG 116 -20.892 -13.399  -4.280
 1111   2HH1  ARG 116          2HH1      ARG 116 -22.170 -13.399  -5.400
 1112   1HH2  ARG 116          1HH2      ARG 116 -20.860 -15.854  -7.545
 1113   2HH2  ARG 116          2HH2      ARG 116 -22.143 -14.764  -7.243
 1114    QB   ARG 116           QB       ARG 116 -16.705 -16.737  -5.164
 1115    QG   ARG 116           QG       ARG 116 -17.765 -16.022  -3.260
 1116    QD   ARG 116           QD       ARG 116 -18.728 -14.149  -4.079
 1117    QH1  ARG 116           QH1      ARG 116 -21.531 -13.399  -4.840
 1118    QH2  ARG 116           QH2      ARG 116 -21.502 -15.309  -7.394
 1119    H    SER 117           H        SER 117 -14.654 -14.982  -7.543
 1120    HA   SER 117           HA       SER 117 -13.152 -17.325  -7.776
 1121   1HB   SER 117          2HB       SER 117 -12.993 -14.800  -9.413
 1122   2HB   SER 117          1HB       SER 117 -12.566 -16.432  -9.928
 1123    HG   SER 117           HG       SER 117 -14.668 -17.019  -9.882
 1124    QB   SER 117           QB       SER 117 -12.779 -15.616  -9.670
 1125    H    LEU 118           H        LEU 118 -12.360 -14.511  -6.130
 1126    HA   LEU 118           HA       LEU 118  -9.534 -14.522  -6.722
 1127   1HB   LEU 118          2HB       LEU 118 -11.018 -13.145  -4.473
 1128   2HB   LEU 118          1HB       LEU 118  -9.341 -12.879  -4.890
 1129    HG   LEU 118           HG       LEU 118 -11.737 -12.170  -6.593
 1130   1HD1  LEU 118          3HD1      LEU 118 -11.455 -10.703  -4.680
 1131   2HD1  LEU 118          2HD1      LEU 118  -9.769 -10.436  -5.110
 1132   3HD1  LEU 118          1HD1      LEU 118 -11.053  -9.865  -6.177
 1133   1HD2  LEU 118          2HD2      LEU 118  -8.793 -11.739  -7.110
 1134   2HD2  LEU 118          1HD2      LEU 118  -9.857 -12.823  -8.003
 1135   3HD2  LEU 118          3HD2      LEU 118 -10.109 -11.078  -8.082
 1136    MD1  LEU 118           QD1      LEU 118 -10.759 -10.335  -5.323
 1137    MD2  LEU 118           QD2      LEU 118  -9.586 -11.880  -7.732
 1138    QB   LEU 118           QB       LEU 118 -10.180 -13.012  -4.682
 1139    QD   LEU 118           QQD      LEU 118 -10.173 -11.107  -6.527
 1140    H    GLY 119           H        GLY 119 -11.390 -15.177  -3.762
 1141   1HA   GLY 119          1HA       GLY 119  -9.382 -16.229  -2.220
 1142   2HA   GLY 119          2HA       GLY 119  -9.985 -17.575  -3.175
 1143    QA   GLY 119           QA       GLY 119  -9.684 -16.902  -2.698
 1144    H    LEU 120           H        LEU 120 -12.636 -17.077  -3.322
 1145    HA   LEU 120           HA       LEU 120 -13.432 -17.094  -0.488
 1146   1HB   LEU 120          2HB       LEU 120 -14.938 -15.850  -2.763
 1147   2HB   LEU 120          1HB       LEU 120 -15.682 -16.241  -1.239
 1148    HG   LEU 120           HG       LEU 120 -14.105 -14.595  -0.145
 1149   1HD1  LEU 120          3HD1      LEU 120 -12.366 -14.515  -1.858
 1150   2HD1  LEU 120          2HD1      LEU 120 -13.505 -13.783  -2.986
 1151   3HD1  LEU 120          1HD1      LEU 120 -13.025 -12.914  -1.531
 1152   1HD2  LEU 120          3HD2      LEU 120 -15.995 -13.589  -2.262
 1153   2HD2  LEU 120          2HD2      LEU 120 -16.400 -14.042  -0.605
 1154   3HD2  LEU 120          1HD2      LEU 120 -15.381 -12.639  -0.908
 1155    MD1  LEU 120           QD1      LEU 120 -12.965 -13.738  -2.125
 1156    MD2  LEU 120           QD2      LEU 120 -15.925 -13.423  -1.259
 1157    QB   LEU 120           QB       LEU 120 -15.310 -16.045  -2.001
 1158    QD   LEU 120           QQD      LEU 120 -14.445 -13.581  -1.692
 1159    H    ALA 121           H        ALA 121 -14.350 -18.112  -3.773
 1160    HA   ALA 121           HA       ALA 121 -16.129 -19.989  -2.597
 1161   1HB   ALA 121          2HB       ALA 121 -16.726 -20.619  -4.892
 1162   2HB   ALA 121          1HB       ALA 121 -16.921 -18.891  -4.574
 1163   3HB   ALA 121          3HB       ALA 121 -15.526 -19.471  -5.484
 1164    MB   ALA 121           QB       ALA 121 -16.391 -19.661  -4.983
 1165    H    GLU 122           H        GLU 122 -14.306 -20.942  -1.495
 1166    HA   GLU 122           HA       GLU 122 -12.849 -22.914  -2.929
 1167   1HB   GLU 122          2HB       GLU 122 -13.033 -21.886  -0.115
 1168   2HB   GLU 122          1HB       GLU 122 -11.957 -23.153  -0.649
 1169   1HG   GLU 122          2HG       GLU 122 -11.923 -20.295  -1.623
 1170   2HG   GLU 122          1HG       GLU 122 -10.846 -20.948  -0.391
 1171    QB   GLU 122           QB       GLU 122 -12.495 -22.520  -0.382
 1172    QG   GLU 122           QG       GLU 122 -11.385 -20.621  -1.007
 1173    H    SER 123           H        SER 123 -13.485 -25.080  -2.560
 1174    HA   SER 123           HA       SER 123 -16.136 -25.426  -1.532
 1175   1HB   SER 123          2HB       SER 123 -15.290 -26.618  -3.587
 1176   2HB   SER 123          1HB       SER 123 -14.205 -27.533  -2.546
 1177    HG   SER 123           HG       SER 123 -15.962 -28.758  -2.783
 1178    QB   SER 123           QB       SER 123 -14.747 -27.076  -3.067
 1179    H    ARG 124           H        ARG 124 -16.562 -25.911   0.477
 1180    HA   ARG 124           HA       ARG 124 -14.451 -26.185   2.351
 1181   1HB   ARG 124          2HB       ARG 124 -16.138 -26.286   4.134
 1182   2HB   ARG 124          1HB       ARG 124 -16.373 -24.927   3.079
 1183   1HG   ARG 124          2HG       ARG 124 -17.988 -27.472   2.947
 1184   2HG   ARG 124          1HG       ARG 124 -18.475 -26.047   3.854
 1185   1HD   ARG 124          2HD       ARG 124 -18.179 -26.337   0.864
 1186   2HD   ARG 124          1HD       ARG 124 -19.640 -26.025   1.785
 1187    HE   ARG 124           HE       ARG 124 -17.674 -23.993   2.147
 1188   1HH1  ARG 124          1HH1      ARG 124 -20.297 -25.042   0.015
 1189   2HH1  ARG 124          2HH1      ARG 124 -20.506 -23.512  -0.708
 1190   1HH2  ARG 124          1HH2      ARG 124 -17.949 -21.909   1.144
 1191   2HH2  ARG 124          2HH2      ARG 124 -19.115 -21.691  -0.070
 1192    QB   ARG 124           QB       ARG 124 -16.255 -25.607   3.606
 1193    QG   ARG 124           QG       ARG 124 -18.232 -26.759   3.401
 1194    QD   ARG 124           QD       ARG 124 -18.910 -26.181   1.325
 1195    QH1  ARG 124           QH1      ARG 124 -20.401 -24.277  -0.347
 1196    QH2  ARG 124           QH2      ARG 124 -18.532 -21.800   0.537
 1197    H    GLN 125           H        GLN 125 -16.258 -28.481   0.634
 1198    HA   GLN 125           HA       GLN 125 -16.233 -30.723   0.541
 1199   1HB   GLN 125          2HB       GLN 125 -13.880 -30.417   0.260
 1200   2HB   GLN 125          1HB       GLN 125 -13.678 -30.225   1.991
 1201   1HG   GLN 125          2HG       GLN 125 -14.258 -32.589   2.313
 1202   2HG   GLN 125          1HG       GLN 125 -14.508 -32.768   0.579
 1203   1HE2  GLN 125          1HE2      GLN 125 -11.891 -30.853   1.936
 1204   2HE2  GLN 125          2HE2      GLN 125 -10.628 -31.929   1.462
 1205    QB   GLN 125           QB       GLN 125 -13.779 -30.321   1.126
 1206    QG   GLN 125           QG       GLN 125 -14.383 -32.679   1.446
 1207    QE   GLN 125           QE2      GLN 125 -11.259 -31.391   1.699

  No H/Q in entry =        1207
  Start of MODEL   14
    1    H1   LEU   5          2HT       LEU   5  -2.511  36.281 -22.087
    2    H2   LEU   5          1HT       LEU   5  -2.350  35.005 -23.136
    3    H3   LEU   5          3HT       LEU   5  -3.701  36.034 -23.254
    4    HA   LEU   5           HA       LEU   5  -4.441  35.314 -21.093
    5   1HB   LEU   5          2HB       LEU   5  -5.044  33.921 -23.084
    6   2HB   LEU   5          1HB       LEU   5  -3.630  32.936 -22.766
    7    HG   LEU   5           HG       LEU   5  -4.625  32.249 -20.601
    8   1HD1  LEU   5          2HD1      LEU   5  -7.022  33.796 -21.574
    9   2HD1  LEU   5          1HD1      LEU   5  -7.011  32.680 -20.204
   10   3HD1  LEU   5          3HD1      LEU   5  -6.040  34.151 -20.152
   11   1HD2  LEU   5          2HD2      LEU   5  -6.351  31.751 -23.022
   12   2HD2  LEU   5          1HD2      LEU   5  -4.901  30.853 -22.580
   13   3HD2  LEU   5          3HD2      LEU   5  -6.333  30.777 -21.555
   14    MD1  LEU   5           QD1      LEU   5  -6.691  33.542 -20.643
   15    MD2  LEU   5           QD2      LEU   5  -5.862  31.127 -22.386
   16    QB   LEU   5           QB       LEU   5  -4.337  33.429 -22.925
   17    QD   LEU   5           QQD      LEU   5  -6.276  32.335 -21.514
   18    H    GLU   6           H        GLU   6  -3.954  34.347 -19.167
   19    HA   GLU   6           HA       GLU   6  -1.189  34.253 -18.533
   20   1HB   GLU   6          2HB       GLU   6  -3.047  35.141 -17.063
   21   2HB   GLU   6          1HB       GLU   6  -3.464  33.439 -16.838
   22   1HG   GLU   6          2HG       GLU   6  -2.145  34.567 -15.062
   23   2HG   GLU   6          1HG       GLU   6  -1.468  33.032 -15.650
   24    QB   GLU   6           QB       GLU   6  -3.255  34.290 -16.951
   25    QG   GLU   6           QG       GLU   6  -1.807  33.799 -15.356
   26    H    ALA   7           H        ALA   7  -0.123  32.537 -17.554
   27    HA   ALA   7           HA       ALA   7  -0.187  30.142 -19.024
   28   1HB   ALA   7          2HB       ALA   7   1.097  30.656 -16.344
   29   2HB   ALA   7          1HB       ALA   7   1.467  29.319 -17.432
   30   3HB   ALA   7          3HB       ALA   7   1.822  30.976 -17.917
   31    MB   ALA   7           QB       ALA   7   1.462  30.317 -17.231
   32    H    ASP   8           H        ASP   8  -0.843  28.086 -18.555
   33    HA   ASP   8           HA       ASP   8  -3.186  27.781 -16.951
   34   1HB   ASP   8          2HB       ASP   8  -2.730  26.509 -19.055
   35   2HB   ASP   8          1HB       ASP   8  -1.438  25.660 -18.229
   36    QB   ASP   8           QB       ASP   8  -2.084  26.085 -18.642
   37    H    VAL   9           H        VAL   9  -3.385  26.593 -15.006
   38    HA   VAL   9           HA       VAL   9  -1.404  26.866 -13.260
   39    HB   VAL   9           HB       VAL   9  -2.691  25.416 -11.686
   40   1HG1  VAL   9          2HG1      VAL   9  -4.244  27.479 -13.240
   41   2HG1  VAL   9          1HG1      VAL   9  -4.668  26.871 -11.637
   42   3HG1  VAL   9          3HG1      VAL   9  -3.175  27.783 -11.870
   43   1HG2  VAL   9          3HG2      VAL   9  -4.437  25.108 -14.089
   44   2HG2  VAL   9          2HG2      VAL   9  -3.501  23.838 -13.294
   45   3HG2  VAL   9          1HG2      VAL   9  -4.876  24.585 -12.450
   46    MG1  VAL   9           QG1      VAL   9  -4.029  27.378 -12.249
   47    MG2  VAL   9           QG2      VAL   9  -4.271  24.511 -13.278
   48    QG   VAL   9           QQG      VAL   9  -4.150  25.944 -12.763
   49    H    THR  10           H        THR  10  -2.026  24.232 -15.398
   50    HA   THR  10           HA       THR  10  -1.123  22.267 -15.883
   51    HB   THR  10           HB       THR  10   1.214  21.999 -15.718
   52    HG1  THR  10          1HG       THR  10   1.043  24.023 -13.920
   53   1HG2  THR  10          3HG2      THR  10   0.321  24.646 -16.839
   54   2HG2  THR  10          2HG2      THR  10   1.850  23.871 -17.260
   55   3HG2  THR  10          1HG2      THR  10   0.324  23.082 -17.655
   56    MG   THR  10           QG2      THR  10   0.832  23.866 -17.251
   57    H    MET  11           H        MET  11   0.423  20.389 -15.058
   58    HA   MET  11           HA       MET  11  -0.898  19.404 -12.747
   59   1HB   MET  11          2HB       MET  11   1.288  18.280 -14.507
   60   2HB   MET  11          1HB       MET  11   0.630  17.421 -13.127
   61   1HG   MET  11          2HG       MET  11  -0.351  16.604 -15.153
   62   2HG   MET  11          1HG       MET  11  -1.557  17.473 -14.215
   63   1HE   MET  11          2HE       MET  11  -2.141  16.694 -17.129
   64   2HE   MET  11          1HE       MET  11  -3.242  17.726 -16.222
   65   3HE   MET  11          3HE       MET  11  -2.741  18.189 -17.850
   66    QB   MET  11           QB       MET  11   0.959  17.850 -13.817
   67    QG   MET  11           QG       MET  11  -0.954  17.038 -14.684
   68    ME   MET  11           QE       MET  11  -2.708  17.536 -17.067
   69    H    THR  12           H        THR  12   2.004  21.004 -13.475
   70    HA   THR  12           HA       THR  12   3.799  21.684 -12.377
   71    HB   THR  12           HB       THR  12   3.652  22.299 -10.104
   72    HG1  THR  12          1HG       THR  12   1.604  20.665 -10.008
   73   1HG2  THR  12          2HG2      THR  12   1.400  23.267 -11.843
   74   2HG2  THR  12          1HG2      THR  12   1.954  24.112 -10.396
   75   3HG2  THR  12          3HG2      THR  12   3.044  23.895 -11.765
   76    MG   THR  12           QG2      THR  12   2.133  23.758 -11.335
   77    H    GLY  13           H        GLY  13   5.259  20.258 -12.701
   78   1HA   GLY  13          1HA       GLY  13   6.719  18.509 -12.228
   79   2HA   GLY  13          2HA       GLY  13   5.567  17.923 -11.028
   80    QA   GLY  13           QA       GLY  13   6.143  18.216 -11.628
   81    H    SER  14           H        SER  14   5.318  19.451  -9.184
   82    HA   SER  14           HA       SER  14   7.570  21.119  -8.603
   83   1HB   SER  14          2HB       SER  14   5.235  21.841  -8.164
   84   2HB   SER  14          1HB       SER  14   5.118  20.596  -6.925
   85    HG   SER  14           HG       SER  14   6.553  21.668  -5.677
   86    QB   SER  14           QB       SER  14   5.177  21.218  -7.545
   87    H    ASP  15           H        ASP  15   5.939  18.919  -6.176
   88    HA   ASP  15           HA       ASP  15   8.377  17.608  -5.775
   89   1HB   ASP  15          2HB       ASP  15   7.919  18.140  -3.388
   90   2HB   ASP  15          1HB       ASP  15   8.830  19.321  -4.345
   91    QB   ASP  15           QB       ASP  15   8.375  18.730  -3.866
   92    H    LEU  16           H        LEU  16   6.637  16.220  -6.783
   93    HA   LEU  16           HA       LEU  16   5.494  14.744  -4.575
   94   1HB   LEU  16          2HB       LEU  16   4.556  14.821  -7.424
   95   2HB   LEU  16          1HB       LEU  16   3.878  13.860  -6.128
   96    HG   LEU  16           HG       LEU  16   2.380  15.502  -6.462
   97   1HD1  LEU  16          3HD1      LEU  16   2.775  15.300  -4.140
   98   2HD1  LEU  16          2HD1      LEU  16   4.003  16.560  -4.202
   99   3HD1  LEU  16          1HD1      LEU  16   2.318  16.957  -4.542
  100   1HD2  LEU  16          2HD2      LEU  16   4.582  17.507  -6.755
  101   2HD2  LEU  16          1HD2      LEU  16   3.460  16.857  -7.968
  102   3HD2  LEU  16          3HD2      LEU  16   2.850  17.920  -6.696
  103    MD1  LEU  16           QD1      LEU  16   3.032  16.272  -4.295
  104    MD2  LEU  16           QD2      LEU  16   3.631  17.428  -7.140
  105    QB   LEU  16           QB       LEU  16   4.217  14.341  -6.776
  106    QD   LEU  16           QQD      LEU  16   3.331  16.850  -5.717
  107    H    VAL  17           H        VAL  17   5.455  12.562  -4.814
  108    HA   VAL  17           HA       VAL  17   7.450  11.564  -6.428
  109    HB   VAL  17           HB       VAL  17   7.698  11.785  -3.448
  110   1HG1  VAL  17          1HG1      VAL  17   8.842   9.754  -5.181
  111   2HG1  VAL  17          3HG1      VAL  17   9.561  10.117  -3.584
  112   3HG1  VAL  17          2HG1      VAL  17   7.860   9.543  -3.674
  113   1HG2  VAL  17          3HG2      VAL  17   8.929  13.380  -4.884
  114   2HG2  VAL  17          2HG2      VAL  17  10.011  12.389  -3.899
  115   3HG2  VAL  17          1HG2      VAL  17   9.793  12.027  -5.608
  116    MG1  VAL  17           QG1      VAL  17   8.754   9.805  -4.146
  117    MG2  VAL  17           QG2      VAL  17   9.578  12.599  -4.797
  118    QG   VAL  17           QQG      VAL  17   9.166  11.202  -4.472
  119    H    SER  18           H        SER  18   7.225   9.247  -6.431
  120    HA   SER  18           HA       SER  18   4.951   8.059  -5.005
  121   1HB   SER  18          2HB       SER  18   5.744   7.520  -7.873
  122   2HB   SER  18          1HB       SER  18   4.577   6.567  -6.964
  123    HG   SER  18           HG       SER  18   3.755   8.914  -6.624
  124    QB   SER  18           QB       SER  18   5.160   7.043  -7.419
  125    H    CYS  19           H        CYS  19   5.787   6.690  -3.618
  126    HA   CYS  19           HA       CYS  19   8.091   5.100  -4.407
  127   1HB   CYS  19          2HB       CYS  19   6.610   5.296  -1.762
  128   2HB   CYS  19          1HB       CYS  19   8.018   4.277  -2.050
  129    HG   CYS  19           HG       CYS  19   9.800   6.081  -1.540
  130    QB   CYS  19           QB       CYS  19   7.314   4.787  -1.906
  131    H    CYS  20           H        CYS  20   7.735   3.191  -5.300
  132    HA   CYS  20           HA       CYS  20   4.978   2.137  -5.190
  133   1HB   CYS  20          2HB       CYS  20   7.045   1.839  -7.398
  134   2HB   CYS  20          1HB       CYS  20   5.380   1.275  -7.440
  135    HG   CYS  20           HG       CYS  20   6.347   3.984  -8.793
  136    QB   CYS  20           QB       CYS  20   6.212   1.557  -7.419
  137    H    TYR  21           H        TYR  21   5.074   0.334  -3.787
  138    HA   TYR  21           HA       TYR  21   7.738  -0.876  -3.738
  139   1HB   TYR  21          2HB       TYR  21   7.717  -1.098  -1.479
  140   2HB   TYR  21          1HB       TYR  21   7.235   0.579  -1.794
  141    HD1  TYR  21          1HD       TYR  21   6.343  -2.759  -0.514
  142    HD2  TYR  21          2HD       TYR  21   5.150   1.317  -0.863
  143    HE1  TYR  21          1HE       TYR  21   4.719  -3.098   1.214
  144    HE2  TYR  21          2HE       TYR  21   3.500   0.959   0.914
  145    HH   TYR  21           HH       TYR  21   2.279  -0.884   1.945
  146    QB   TYR  21           QB       TYR  21   7.476  -0.260  -1.637
  147    QD   TYR  21           QD       TYR  21   5.746  -0.721  -0.689
  148    QE   TYR  21           QE       TYR  21   4.110  -1.069   1.064
  149    QR   TYR  21           QR       TYR  21   4.928  -0.895   0.188
  150    H    ARG  22           H        ARG  22   7.983  -2.893  -2.909
  151    HA   ARG  22           HA       ARG  22   5.949  -4.855  -3.665
  152   1HB   ARG  22          2HB       ARG  22   7.928  -5.147  -4.877
  153   2HB   ARG  22          1HB       ARG  22   8.934  -4.743  -3.502
  154   1HG   ARG  22          2HG       ARG  22   8.060  -6.900  -2.462
  155   2HG   ARG  22          1HG       ARG  22   7.475  -7.296  -4.081
  156   1HD   ARG  22          2HD       ARG  22   9.681  -7.106  -4.980
  157   2HD   ARG  22          1HD       ARG  22  10.250  -6.473  -3.429
  158    HE   ARG  22           HE       ARG  22   9.731  -8.669  -2.466
  159   1HH1  ARG  22          1HH1      ARG  22  10.363  -8.499  -5.976
  160   2HH1  ARG  22          2HH1      ARG  22  10.919 -10.102  -6.066
  161   1HH2  ARG  22          1HH2      ARG  22  10.494 -10.869  -2.655
  162   2HH2  ARG  22          2HH2      ARG  22  10.968 -11.487  -4.166
  163    QB   ARG  22           QB       ARG  22   8.431  -4.945  -4.189
  164    QG   ARG  22           QG       ARG  22   7.768  -7.098  -3.271
  165    QD   ARG  22           QD       ARG  22   9.966  -6.790  -4.205
  166    QH1  ARG  22           QH1      ARG  22  10.641  -9.301  -6.021
  167    QH2  ARG  22           QH2      ARG  22  10.731 -11.178  -3.411
  168    H    SER  23           H        SER  23   5.141  -6.103  -2.023
  169    HA   SER  23           HA       SER  23   6.890  -6.767   0.123
  170   1HB   SER  23          2HB       SER  23   5.027  -6.370   1.818
  171   2HB   SER  23          1HB       SER  23   5.808  -4.927   1.185
  172    HG   SER  23           HG       SER  23   3.895  -5.209  -0.445
  173    QB   SER  23           QB       SER  23   5.418  -5.648   1.501
  174    H    LEU  24           H        LEU  24   6.252  -8.639   1.134
  175    HA   LEU  24           HA       LEU  24   4.326 -10.232  -0.503
  176   1HB   LEU  24          2HB       LEU  24   6.805 -11.208   0.926
  177   2HB   LEU  24          1HB       LEU  24   5.572 -12.304   0.369
  178    HG   LEU  24           HG       LEU  24   7.435 -12.326  -1.148
  179   1HD1  LEU  24          3HD1      LEU  24   5.256 -12.628  -2.137
  180   2HD1  LEU  24          2HD1      LEU  24   5.129 -10.887  -2.406
  181   3HD1  LEU  24          1HD1      LEU  24   6.360 -11.820  -3.252
  182   1HD2  LEU  24          2HD2      LEU  24   8.337 -10.107  -0.681
  183   2HD2  LEU  24          1HD2      LEU  24   8.151 -10.381  -2.420
  184   3HD2  LEU  24          3HD2      LEU  24   6.988  -9.379  -1.553
  185    MD1  LEU  24           QD1      LEU  24   5.581 -11.779  -2.598
  186    MD2  LEU  24           QD2      LEU  24   7.825  -9.955  -1.551
  187    QB   LEU  24           QB       LEU  24   6.189 -11.756   0.647
  188    QD   LEU  24           QQD      LEU  24   6.703 -10.867  -2.075
  189    H    ALA  25           H        ALA  25   2.714  -9.326   0.891
  190    HA   ALA  25           HA       ALA  25   2.370  -8.927   3.469
  191   1HB   ALA  25          3HB       ALA  25   0.541  -8.675   1.921
  192   2HB   ALA  25          2HB       ALA  25   0.278 -10.425   1.903
  193   3HB   ALA  25          1HB       ALA  25   0.028  -9.487   3.382
  194    MB   ALA  25           QB       ALA  25   0.282  -9.529   2.402
  195    H    ALA  26           H        ALA  26   2.667  -9.814   5.397
  196    HA   ALA  26           HA       ALA  26   3.754 -12.211   5.675
  197   1HB   ALA  26          3HB       ALA  26   4.222 -10.361   6.993
  198   2HB   ALA  26          2HB       ALA  26   2.555 -10.180   7.501
  199   3HB   ALA  26          1HB       ALA  26   3.516 -11.573   8.078
  200    MB   ALA  26           QB       ALA  26   3.431 -10.705   7.524
  201    HA   PRO  27           HA       PRO  27   0.073 -14.816   5.907
  202   1HB   PRO  27          2HB       PRO  27   1.255 -16.899   7.179
  203   2HB   PRO  27          1HB       PRO  27   1.561 -16.536   5.471
  204   1HG   PRO  27          2HG       PRO  27   3.062 -15.440   7.838
  205   2HG   PRO  27          1HG       PRO  27   3.782 -16.480   6.538
  206   1HD   PRO  27          2HD       PRO  27   4.048 -13.957   6.505
  207   2HD   PRO  27          1HD       PRO  27   3.357 -14.668   5.023
  208    QB   PRO  27           QB       PRO  27   1.408 -16.717   6.325
  209    QG   PRO  27           QG       PRO  27   3.422 -15.960   7.188
  210    QD   PRO  27           QD       PRO  27   3.702 -14.313   5.764
  211    H    ASP  28           H        ASP  28   1.567 -13.383   8.402
  212    HA   ASP  28           HA       ASP  28  -0.114 -14.632  10.466
  213   1HB   ASP  28          2HB       ASP  28   1.265 -13.680  12.181
  214   2HB   ASP  28          1HB       ASP  28   2.332 -14.364  10.971
  215    QB   ASP  28           QB       ASP  28   1.798 -14.022  11.576
  216    H    LEU  29           H        LEU  29  -0.366 -12.288   8.357
  217    HA   LEU  29           HA       LEU  29  -1.463 -10.201   9.952
  218   1HB   LEU  29          2HB       LEU  29  -1.256 -10.723   7.039
  219   2HB   LEU  29          1HB       LEU  29  -2.296  -9.452   7.646
  220    HG   LEU  29           HG       LEU  29   0.639  -9.630   8.255
  221   1HD1  LEU  29          3HD1      LEU  29  -0.943  -8.228   6.157
  222   2HD1  LEU  29          2HD1      LEU  29   0.668  -7.668   6.644
  223   3HD1  LEU  29          1HD1      LEU  29   0.464  -9.275   5.893
  224   1HD2  LEU  29          1HD2      LEU  29  -1.445  -7.478   8.599
  225   2HD2  LEU  29          3HD2      LEU  29  -0.617  -8.354   9.892
  226   3HD2  LEU  29          2HD2      LEU  29   0.275  -7.256   8.837
  227    MD1  LEU  29           QD1      LEU  29   0.063  -8.391   6.231
  228    MD2  LEU  29           QD2      LEU  29  -0.596  -7.696   9.110
  229    QB   LEU  29           QB       LEU  29  -1.776 -10.088   7.343
  230    QD   LEU  29           QQD      LEU  29  -0.266  -8.043   7.670
  231    H    THR  30           H        THR  30  -3.493  -9.650  10.237
  232    HA   THR  30           HA       THR  30  -5.569 -11.555   9.559
  233    HB   THR  30           HB       THR  30  -6.660  -9.922  11.155
  234    HG1  THR  30          1HG       THR  30  -5.013  -9.381  12.845
  235   1HG2  THR  30          1HG2      THR  30  -4.839 -12.147  11.822
  236   2HG2  THR  30          3HG2      THR  30  -6.020 -11.469  12.983
  237   3HG2  THR  30          2HG2      THR  30  -6.597 -12.152  11.445
  238    MG   THR  30           QG2      THR  30  -5.819 -11.923  12.083
  239    H    LEU  31           H        LEU  31  -7.197 -10.948   8.372
  240    HA   LEU  31           HA       LEU  31  -7.310  -8.752   6.644
  241   1HB   LEU  31          2HB       LEU  31  -8.753 -10.812   6.663
  242   2HB   LEU  31          1HB       LEU  31  -9.433 -10.025   8.108
  243    HG   LEU  31           HG       LEU  31 -10.356  -8.228   6.787
  244   1HD1  LEU  31          3HD1      LEU  31  -8.676  -8.117   5.051
  245   2HD1  LEU  31          2HD1      LEU  31  -9.258  -9.643   4.364
  246   3HD1  LEU  31          1HD1      LEU  31 -10.305  -8.214   4.401
  247   1HD2  LEU  31          1HD2      LEU  31 -11.724 -10.191   7.126
  248   2HD2  LEU  31          3HD2      LEU  31 -12.065  -9.464   5.553
  249   3HD2  LEU  31          2HD2      LEU  31 -11.075 -10.926   5.660
  250    MD1  LEU  31           QD1      LEU  31  -9.413  -8.658   4.605
  251    MD2  LEU  31           QD2      LEU  31 -11.621 -10.194   6.113
  252    QB   LEU  31           QB       LEU  31  -9.093 -10.418   7.385
  253    QD   LEU  31           QQD      LEU  31 -10.517  -9.426   5.359
  254    H    ARG  32           H        ARG  32  -8.507  -9.103   9.981
  255    HA   ARG  32           HA       ARG  32  -9.793  -6.590   9.802
  256   1HB   ARG  32          2HB       ARG  32 -10.485  -8.120  11.590
  257   2HB   ARG  32          1HB       ARG  32  -8.899  -7.993  12.340
  258   1HG   ARG  32          2HG       ARG  32 -10.500  -6.577  13.525
  259   2HG   ARG  32          1HG       ARG  32  -9.262  -5.602  12.728
  260   1HD   ARG  32          2HD       ARG  32 -11.244  -5.758  10.799
  261   2HD   ARG  32          1HD       ARG  32 -12.155  -5.648  12.299
  262    HE   ARG  32           HE       ARG  32 -10.154  -3.762  12.450
  263   1HH1  ARG  32          1HH1      ARG  32 -13.101  -4.261  10.500
  264   2HH1  ARG  32          2HH1      ARG  32 -13.192  -2.623  10.024
  265   1HH2  ARG  32          1HH2      ARG  32 -10.363  -1.542  11.822
  266   2HH2  ARG  32          2HH2      ARG  32 -11.561  -1.051  10.713
  267    QB   ARG  32           QB       ARG  32  -9.692  -8.056  11.965
  268    QG   ARG  32           QG       ARG  32  -9.881  -6.089  13.127
  269    QD   ARG  32           QD       ARG  32 -11.699  -5.703  11.549
  270    QH1  ARG  32           QH1      ARG  32 -13.146  -3.442  10.262
  271    QH2  ARG  32           QH2      ARG  32 -10.962  -1.297  11.267
  272    H    ASP  33           H        ASP  33  -6.531  -7.502  10.564
  273    HA   ASP  33           HA       ASP  33  -5.841  -4.928  11.525
  274   1HB   ASP  33          2HB       ASP  33  -4.577  -7.055  12.096
  275   2HB   ASP  33          1HB       ASP  33  -3.928  -7.019  10.463
  276    QB   ASP  33           QB       ASP  33  -4.253  -7.037  11.279
  277    H    LEU  34           H        LEU  34  -5.867  -6.513   8.292
  278    HA   LEU  34           HA       LEU  34  -4.454  -4.339   6.983
  279   1HB   LEU  34          2HB       LEU  34  -6.498  -6.231   5.797
  280   2HB   LEU  34          1HB       LEU  34  -5.732  -4.967   4.881
  281    HG   LEU  34           HG       LEU  34  -4.716  -7.013   4.307
  282   1HD1  LEU  34          3HD1      LEU  34  -3.164  -5.164   4.482
  283   2HD1  LEU  34          2HD1      LEU  34  -2.856  -5.563   6.172
  284   3HD1  LEU  34          1HD1      LEU  34  -2.385  -6.687   4.901
  285   1HD2  LEU  34          2HD2      LEU  34  -5.493  -8.118   6.308
  286   2HD2  LEU  34          1HD2      LEU  34  -3.800  -8.560   5.876
  287   3HD2  LEU  34          3HD2      LEU  34  -4.146  -7.409   7.187
  288    MD1  LEU  34           QD1      LEU  34  -2.801  -5.805   5.185
  289    MD2  LEU  34           QD2      LEU  34  -4.479  -8.029   6.457
  290    QB   LEU  34           QB       LEU  34  -6.115  -5.599   5.339
  291    QD   LEU  34           QQD      LEU  34  -3.640  -6.917   5.821
  292    H    LEU  35           H        LEU  35  -7.687  -4.950   7.804
  293    HA   LEU  35           HA       LEU  35  -8.741  -2.730   6.431
  294   1HB   LEU  35          2HB       LEU  35  -9.847  -4.598   8.493
  295   2HB   LEU  35          1HB       LEU  35 -10.765  -3.181   8.028
  296    HG   LEU  35           HG       LEU  35 -11.314  -5.431   6.811
  297   1HD1  LEU  35          1HD1      LEU  35 -12.147  -3.230   6.087
  298   2HD1  LEU  35          3HD1      LEU  35 -10.658  -2.964   5.186
  299   3HD1  LEU  35          2HD1      LEU  35 -11.751  -4.258   4.710
  300   1HD2  LEU  35          1HD2      LEU  35  -8.925  -5.988   6.335
  301   2HD2  LEU  35          3HD2      LEU  35  -9.907  -5.951   4.858
  302   3HD2  LEU  35          2HD2      LEU  35  -8.832  -4.606   5.309
  303    MD1  LEU  35           QD1      LEU  35 -11.519  -3.484   5.328
  304    MD2  LEU  35           QD2      LEU  35  -9.221  -5.515   5.501
  305    QB   LEU  35           QB       LEU  35 -10.306  -3.889   8.260
  306    QD   LEU  35           QQD      LEU  35 -10.370  -4.499   5.414
  307    H    ASP  36           H        ASP  36  -7.803  -3.260   9.692
  308    HA   ASP  36           HA       ASP  36  -8.356  -0.578  10.548
  309   1HB   ASP  36          2HB       ASP  36  -6.547  -2.662  11.753
  310   2HB   ASP  36          1HB       ASP  36  -6.555  -1.024  12.387
  311    QB   ASP  36           QB       ASP  36  -6.551  -1.843  12.070
  312    H    ILE  37           H        ILE  37  -5.487  -2.056   9.212
  313    HA   ILE  37           HA       ILE  37  -3.765   0.104   9.118
  314    HB   ILE  37           HB       ILE  37  -4.221  -2.190   7.207
  315   1HG1  ILE  37          2HG1      ILE  37  -1.683  -1.594   8.659
  316   2HG1  ILE  37          1HG1      ILE  37  -2.984  -2.374   9.532
  317   1HG2  ILE  37          3HG2      ILE  37  -2.107  -0.065   6.856
  318   2HG2  ILE  37          2HG2      ILE  37  -2.189  -1.582   5.958
  319   3HG2  ILE  37          1HG2      ILE  37  -3.469  -0.386   5.779
  320   1HD1  ILE  37          1HD1      ILE  37  -1.771  -3.404   6.971
  321   2HD1  ILE  37          3HD1      ILE  37  -1.267  -3.911   8.570
  322   3HD1  ILE  37          2HD1      ILE  37  -2.893  -4.278   8.034
  323    MG   ILE  37           QG2      ILE  37  -2.588  -0.677   6.198
  324    MD   ILE  37           QD1      ILE  37  -1.977  -3.864   7.858
  325    QG   ILE  37           QG1      ILE  37  -2.333  -1.984   9.096
  326    H    VAL  38           H        VAL  38  -6.121  -0.858   6.610
  327    HA   VAL  38           HA       VAL  38  -5.549   1.372   5.023
  328    HB   VAL  38           HB       VAL  38  -6.583  -0.742   4.153
  329   1HG1  VAL  38          1HG1      VAL  38  -8.358  -0.992   5.782
  330   2HG1  VAL  38          3HG1      VAL  38  -9.188   0.410   5.108
  331   3HG1  VAL  38          2HG1      VAL  38  -8.970  -1.041   4.124
  332   1HG2  VAL  38          1HG2      VAL  38  -7.886   1.852   3.369
  333   2HG2  VAL  38          3HG2      VAL  38  -6.393   1.172   2.718
  334   3HG2  VAL  38          2HG2      VAL  38  -7.940   0.373   2.413
  335    MG1  VAL  38           QG1      VAL  38  -8.839  -0.541   5.005
  336    MG2  VAL  38           QG2      VAL  38  -7.406   1.132   2.833
  337    QG   VAL  38           QQG      VAL  38  -8.122   0.296   3.919
  338    H    GLU  39           H        GLU  39  -8.109   0.966   7.454
  339    HA   GLU  39           HA       GLU  39  -9.375   3.400   6.860
  340   1HB   GLU  39          2HB       GLU  39  -9.339   1.826   9.447
  341   2HB   GLU  39          1HB       GLU  39 -10.352   3.237   9.195
  342   1HG   GLU  39          2HG       GLU  39 -11.389   2.041   7.249
  343   2HG   GLU  39          1HG       GLU  39 -10.483   0.608   7.724
  344    QB   GLU  39           QB       GLU  39  -9.846   2.532   9.321
  345    QG   GLU  39           QG       GLU  39 -10.936   1.324   7.487
  346    H    THR  40           H        THR  40  -6.659   2.689   8.987
  347    HA   THR  40           HA       THR  40  -6.465   5.373   9.986
  348    HB   THR  40           HB       THR  40  -4.290   3.250   9.897
  349    HG1  THR  40          1HG       THR  40  -5.977   2.304  10.959
  350   1HG2  THR  40          2HG2      THR  40  -3.537   5.520  10.516
  351   2HG2  THR  40          1HG2      THR  40  -4.763   5.575  11.779
  352   3HG2  THR  40          3HG2      THR  40  -3.436   4.415  11.893
  353    MG   THR  40           QG2      THR  40  -3.912   5.170  11.396
  354    H    SER  41           H        SER  41  -4.899   3.508   7.468
  355    HA   SER  41           HA       SER  41  -2.883   5.166   6.614
  356   1HB   SER  41          2HB       SER  41  -3.076   2.836   5.979
  357   2HB   SER  41          1HB       SER  41  -4.565   3.172   5.104
  358    HG   SER  41           HG       SER  41  -3.439   4.119   3.523
  359    QB   SER  41           QB       SER  41  -3.820   3.004   5.541
  360    H    GLN  42           H        GLN  42  -6.191   4.904   5.299
  361    HA   GLN  42           HA       GLN  42  -5.736   6.687   3.180
  362   1HB   GLN  42          2HB       GLN  42  -8.069   6.518   2.731
  363   2HB   GLN  42          1HB       GLN  42  -7.521   4.945   3.282
  364   1HG   GLN  42          2HG       GLN  42  -9.189   4.954   4.736
  365   2HG   GLN  42          1HG       GLN  42  -8.386   6.281   5.584
  366   1HE2  GLN  42          1HE2      GLN  42 -11.133   5.902   5.466
  367   2HE2  GLN  42          2HE2      GLN  42 -11.831   7.202   4.556
  368    QB   GLN  42           QB       GLN  42  -7.795   5.731   3.007
  369    QG   GLN  42           QG       GLN  42  -8.788   5.617   5.160
  370    QE   GLN  42           QE2      GLN  42 -11.482   6.552   5.011
  371    H    ALA  43           H        ALA  43  -6.895   7.170   6.434
  372    HA   ALA  43           HA       ALA  43  -7.878   9.777   6.037
  373   1HB   ALA  43          3HB       ALA  43  -8.045   9.878   8.456
  374   2HB   ALA  43          1HB       ALA  43  -6.993   8.462   8.602
  375   3HB   ALA  43          2HB       ALA  43  -8.580   8.305   7.855
  376    MB   ALA  43           QB       ALA  43  -7.873   8.882   8.304
  377    H    HIS  44           H        HIS  44  -4.745   8.517   7.075
  378    HA   HIS  44           HA       HIS  44  -3.578  11.100   7.498
  379   1HB   HIS  44          2HB       HIS  44  -2.453   9.051   8.403
  380   2HB   HIS  44          1HB       HIS  44  -2.263   8.551   6.713
  381    HD1  HIS  44          1HD       HIS  44  -0.005   8.807   5.894
  382    HD2  HIS  44          2HD       HIS  44  -0.896  11.817   8.586
  383    HE1  HIS  44          1HE       HIS  44   2.030  10.267   5.957
  384    HE2  HIS  44          2HE       HIS  44   1.622  11.731   7.893
  385    QB   HIS  44           QB       HIS  44  -2.358   8.801   7.558
  386    H    ASN  45           H        ASN  45  -3.750   8.869   4.772
  387    HA   ASN  45           HA       ASN  45  -2.103  10.338   3.075
  388   1HB   ASN  45          2HB       ASN  45  -4.209   8.278   2.551
  389   2HB   ASN  45          1HB       ASN  45  -3.499   9.156   1.203
  390   1HD2  ASN  45          1HD2      ASN  45  -2.557   7.263   0.406
  391   2HD2  ASN  45          2HD2      ASN  45  -1.182   6.539   1.161
  392    QB   ASN  45           QB       ASN  45  -3.854   8.717   1.877
  393    QD   ASN  45           QD2      ASN  45  -1.870   6.901   0.784
  394    H    ALA  46           H        ALA  46  -5.591  10.481   3.469
  395    HA   ALA  46           HA       ALA  46  -6.085  12.434   1.524
  396   1HB   ALA  46          3HB       ALA  46  -8.163  12.848   2.718
  397   2HB   ALA  46          1HB       ALA  46  -7.521  12.020   4.136
  398   3HB   ALA  46          2HB       ALA  46  -7.835  11.115   2.650
  399    MB   ALA  46           QB       ALA  46  -7.839  11.994   3.168
  400    H    ARG  47           H        ARG  47  -5.218  12.708   4.915
  401    HA   ARG  47           HA       ARG  47  -5.391  15.525   5.103
  402   1HB   ARG  47          2HB       ARG  47  -5.281  13.675   6.960
  403   2HB   ARG  47          1HB       ARG  47  -3.540  13.841   6.698
  404   1HG   ARG  47          2HG       ARG  47  -5.301  16.157   7.532
  405   2HG   ARG  47          1HG       ARG  47  -4.467  15.121   8.679
  406   1HD   ARG  47          2HD       ARG  47  -3.134  16.763   6.524
  407   2HD   ARG  47          1HD       ARG  47  -3.279  17.248   8.212
  408    HE   ARG  47           HE       ARG  47  -2.026  15.048   8.608
  409   1HH1  ARG  47          1HH1      ARG  47  -1.443  17.172   5.823
  410   2HH1  ARG  47          2HH1      ARG  47   0.218  16.826   5.723
  411   1HH2  ARG  47          1HH2      ARG  47   0.292  14.573   8.457
  412   2HH2  ARG  47          2HH2      ARG  47   1.215  15.310   7.258
  413    QB   ARG  47           QB       ARG  47  -4.410  13.758   6.829
  414    QG   ARG  47           QG       ARG  47  -4.884  15.639   8.105
  415    QD   ARG  47           QD       ARG  47  -3.207  17.006   7.368
  416    QH1  ARG  47           QH1      ARG  47  -0.612  16.999   5.773
  417    QH2  ARG  47           QH2      ARG  47   0.753  14.941   7.858
  418    H    ALA  48           H        ALA  48  -2.721  13.255   4.511
  419    HA   ALA  48           HA       ALA  48  -0.895  15.390   4.346
  420   1HB   ALA  48          3HB       ALA  48  -0.193  13.284   5.272
  421   2HB   ALA  48          1HB       ALA  48   0.802  13.746   3.891
  422   3HB   ALA  48          2HB       ALA  48  -0.440  12.484   3.716
  423    MB   ALA  48           QB       ALA  48   0.056  13.171   4.293
  424    H    GLN  49           H        GLN  49  -3.129  14.427   2.229
  425    HA   GLN  49           HA       GLN  49  -3.693  15.111   0.123
  426   1HB   GLN  49          2HB       GLN  49  -0.970  16.412  -0.032
  427   2HB   GLN  49          1HB       GLN  49  -2.376  16.811  -1.055
  428   1HG   GLN  49          2HG       GLN  49  -3.040  18.221   0.508
  429   2HG   GLN  49          1HG       GLN  49  -2.897  16.858   1.670
  430   1HE2  GLN  49          1HE2      GLN  49  -2.081  18.097   3.320
  431   2HE2  GLN  49          2HE2      GLN  49  -0.429  18.622   3.308
  432    QB   GLN  49           QB       GLN  49  -1.673  16.611  -0.544
  433    QG   GLN  49           QG       GLN  49  -2.968  17.539   1.089
  434    QE   GLN  49           QE2      GLN  49  -1.255  18.359   3.314
  435    H    LEU  50           H        LEU  50  -2.175  12.780   0.810
  436    HA   LEU  50           HA       LEU  50  -0.700  11.980  -1.502
  437   1HB   LEU  50          2HB       LEU  50  -1.395  10.776   1.102
  438   2HB   LEU  50          1HB       LEU  50  -0.981   9.697  -0.211
  439    HG   LEU  50           HG       LEU  50   1.170  10.694  -0.428
  440   1HD1  LEU  50          1HD1      LEU  50   0.673  12.980   0.117
  441   2HD1  LEU  50          3HD1      LEU  50   0.410  12.539   1.805
  442   3HD1  LEU  50          2HD1      LEU  50   2.016  12.386   1.091
  443   1HD2  LEU  50          3HD2      LEU  50   0.881   8.916   1.193
  444   2HD2  LEU  50          2HD2      LEU  50   2.170  10.034   1.657
  445   3HD2  LEU  50          1HD2      LEU  50   0.590  10.111   2.455
  446    MD1  LEU  50           QD1      LEU  50   1.033  12.635   1.004
  447    MD2  LEU  50           QD2      LEU  50   1.213   9.687   1.768
  448    QB   LEU  50           QB       LEU  50  -1.188  10.237   0.446
  449    QD   LEU  50           QQD      LEU  50   1.123  11.161   1.386
  450    H    THR  51           H        THR  51  -1.291  10.862  -3.117
  451    HA   THR  51           HA       THR  51  -4.047   9.858  -3.489
  452    HB   THR  51           HB       THR  51  -3.556  10.458  -5.836
  453    HG1  THR  51          1HG       THR  51  -1.498  10.780  -6.247
  454   1HG2  THR  51          1HG2      THR  51  -3.190  12.529  -3.751
  455   2HG2  THR  51          3HG2      THR  51  -3.736  12.879  -5.404
  456   3HG2  THR  51          2HG2      THR  51  -4.718  11.822  -4.309
  457    MG   THR  51           QG2      THR  51  -3.881  12.410  -4.488
  458    H    GLY  52           H        GLY  52  -4.131   7.794  -4.673
  459   1HA   GLY  52          1HA       GLY  52  -2.655   6.016  -3.172
  460   2HA   GLY  52          2HA       GLY  52  -1.738   6.236  -4.654
  461    QA   GLY  52           QA       GLY  52  -2.196   6.126  -3.913
  462    H    ALA  53           H        ALA  53  -2.134   3.948  -4.417
  463    HA   ALA  53           HA       ALA  53  -4.603   2.743  -4.807
  464   1HB   ALA  53          2HB       ALA  53  -4.488   3.731  -7.093
  465   2HB   ALA  53          3HB       ALA  53  -4.360   1.971  -7.141
  466   3HB   ALA  53          1HB       ALA  53  -2.921   2.968  -7.317
  467    MB   ALA  53           QB       ALA  53  -3.923   2.890  -7.184
  468    H    LEU  54           H        LEU  54  -4.191   0.341  -5.360
  469    HA   LEU  54           HA       LEU  54  -1.517  -0.513  -5.134
  470   1HB   LEU  54          2HB       LEU  54  -1.661  -1.643  -3.001
  471   2HB   LEU  54          1HB       LEU  54  -1.835   0.085  -2.794
  472    HG   LEU  54           HG       LEU  54  -4.397  -0.506  -2.712
  473   1HD1  LEU  54          3HD1      LEU  54  -4.163  -2.859  -3.296
  474   2HD1  LEU  54          2HD1      LEU  54  -3.161  -3.122  -1.867
  475   3HD1  LEU  54          1HD1      LEU  54  -4.852  -2.667  -1.681
  476   1HD2  LEU  54          1HD2      LEU  54  -2.460  -1.023  -0.466
  477   2HD2  LEU  54          3HD2      LEU  54  -3.199   0.518  -0.893
  478   3HD2  LEU  54          2HD2      LEU  54  -4.182  -0.796  -0.251
  479    MD1  LEU  54           QD1      LEU  54  -4.059  -2.883  -2.281
  480    MD2  LEU  54           QD2      LEU  54  -3.281  -0.433  -0.537
  481    QB   LEU  54           QB       LEU  54  -1.748  -0.779  -2.897
  482    QD   LEU  54           QQD      LEU  54  -3.670  -1.658  -1.409
  483    H    PHE  55           H        PHE  55  -1.349  -2.811  -5.183
  484    HA   PHE  55           HA       PHE  55  -3.787  -4.151  -6.023
  485   1HB   PHE  55          2HB       PHE  55  -1.129  -4.229  -7.484
  486   2HB   PHE  55          1HB       PHE  55  -2.487  -5.291  -7.823
  487    HD1  PHE  55          1HD       PHE  55  -4.578  -4.356  -8.752
  488    HD2  PHE  55          2HD       PHE  55  -1.061  -1.995  -8.345
  489    HE1  PHE  55          1HE       PHE  55  -5.498  -2.715 -10.338
  490    HE2  PHE  55          2HE       PHE  55  -1.973  -0.356  -9.920
  491    HZ   PHE  55           HZ       PHE  55  -4.193  -0.707 -10.924
  492    QB   PHE  55           QB       PHE  55  -1.808  -4.760  -7.654
  493    QD   PHE  55           QD       PHE  55  -2.820  -3.176  -8.549
  494    QE   PHE  55           QE       PHE  55  -3.735  -1.535 -10.129
  495    QR   PHE  55           QR       PHE  55  -3.461  -2.026  -9.656
  496    H    TYR  56           H        TYR  56  -4.018  -5.562  -4.507
  497    HA   TYR  56           HA       TYR  56  -1.689  -6.972  -3.450
  498   1HB   TYR  56          2HB       TYR  56  -2.973  -5.607  -1.793
  499   2HB   TYR  56          1HB       TYR  56  -4.434  -6.469  -2.218
  500    HD1  TYR  56          1HD       TYR  56  -2.006  -8.975  -2.093
  501    HD2  TYR  56          2HD       TYR  56  -4.109  -6.348   0.518
  502    HE1  TYR  56          1HE       TYR  56  -1.640 -10.542  -0.257
  503    HE2  TYR  56          2HE       TYR  56  -3.774  -7.920   2.362
  504    HH   TYR  56           HH       TYR  56  -1.614 -10.487   2.278
  505    QB   TYR  56           QB       TYR  56  -3.704  -6.038  -2.006
  506    QD   TYR  56           QD       TYR  56  -3.058  -7.662  -0.788
  507    QE   TYR  56           QE       TYR  56  -2.707  -9.231   1.052
  508    QR   TYR  56           QR       TYR  56  -2.882  -8.446   0.132
  509    H    SER  57           H        SER  57  -1.562  -9.129  -3.922
  510    HA   SER  57           HA       SER  57  -3.891 -10.530  -4.810
  511   1HB   SER  57          2HB       SER  57  -1.009 -10.781  -5.764
  512   2HB   SER  57          1HB       SER  57  -2.423 -11.615  -6.420
  513    HG   SER  57           HG       SER  57  -2.697  -8.940  -6.362
  514    QB   SER  57           QB       SER  57  -1.716 -11.198  -6.092
  515    H    GLN  58           H        GLN  58  -3.653 -12.664  -3.865
  516    HA   GLN  58           HA       GLN  58  -2.688 -12.447  -1.253
  517   1HB   GLN  58          2HB       GLN  58  -4.578 -13.784  -1.847
  518   2HB   GLN  58          1HB       GLN  58  -3.506 -14.714  -2.898
  519   1HG   GLN  58          2HG       GLN  58  -2.495 -15.807  -1.055
  520   2HG   GLN  58          1HG       GLN  58  -3.079 -14.592   0.083
  521   1HE2  GLN  58          1HE2      GLN  58  -3.332 -17.484   0.139
  522   2HE2  GLN  58          2HE2      GLN  58  -5.014 -17.819   0.253
  523    QB   GLN  58           QB       GLN  58  -4.042 -14.249  -2.372
  524    QG   GLN  58           QG       GLN  58  -2.787 -15.200  -0.486
  525    QE   GLN  58           QE2      GLN  58  -4.173 -17.651   0.196
  526    H    GLY  59           H        GLY  59  -0.665 -12.107  -0.969
  527   1HA   GLY  59          1HA       GLY  59   1.267 -13.819  -2.254
  528   2HA   GLY  59          2HA       GLY  59   1.394 -13.477  -0.520
  529    QA   GLY  59           QA       GLY  59   1.330 -13.648  -1.387
  530    H    VAL  60           H        VAL  60   1.476 -12.109  -3.765
  531    HA   VAL  60           HA       VAL  60   3.349 -10.150  -2.898
  532    HB   VAL  60           HB       VAL  60   3.722 -11.141  -5.082
  533   1HG1  VAL  60          2HG1      VAL  60   1.416 -11.591  -5.740
  534   2HG1  VAL  60          1HG1      VAL  60   1.134  -9.868  -5.963
  535   3HG1  VAL  60          3HG1      VAL  60   2.285 -10.713  -7.002
  536   1HG2  VAL  60          1HG2      VAL  60   3.023  -8.216  -5.317
  537   2HG2  VAL  60          3HG2      VAL  60   4.561  -8.885  -4.769
  538   3HG2  VAL  60          2HG2      VAL  60   4.049  -9.105  -6.445
  539    MG1  VAL  60           QG1      VAL  60   1.612 -10.724  -6.235
  540    MG2  VAL  60           QG2      VAL  60   3.878  -8.735  -5.510
  541    QG   VAL  60           QQG      VAL  60   2.745  -9.730  -5.873
  542    H    PHE  61           H        PHE  61   2.916  -8.520  -1.913
  543    HA   PHE  61           HA       PHE  61   0.344  -7.175  -2.113
  544   1HB   PHE  61          2HB       PHE  61   1.511  -8.223  -0.119
  545   2HB   PHE  61          1HB       PHE  61   2.670  -6.935  -0.253
  546    HD1  PHE  61          1HD       PHE  61   2.018  -7.006   2.112
  547    HD2  PHE  61          2HD       PHE  61  -0.577  -5.649  -0.953
  548    HE1  PHE  61          1HE       PHE  61   0.769  -5.920   3.771
  549    HE2  PHE  61          2HE       PHE  61  -1.940  -4.462   0.748
  550    HZ   PHE  61           HZ       PHE  61  -1.275  -4.593   3.106
  551    QB   PHE  61           QB       PHE  61   2.090  -7.579  -0.186
  552    QD   PHE  61           QD       PHE  61   0.721  -6.328   0.580
  553    QE   PHE  61           QE       PHE  61  -0.585  -5.191   2.259
  554    QR   PHE  61           QR       PHE  61  -0.201  -5.526   1.757
  555    H    PHE  62           H        PHE  62   0.566  -5.549  -3.758
  556    HA   PHE  62           HA       PHE  62   3.056  -3.995  -3.764
  557   1HB   PHE  62          2HB       PHE  62   2.743  -5.210  -5.878
  558   2HB   PHE  62          1HB       PHE  62   1.121  -4.551  -6.039
  559    HD1  PHE  62          1HD       PHE  62   4.709  -3.767  -6.201
  560    HD2  PHE  62          2HD       PHE  62   0.765  -2.321  -6.899
  561    HE1  PHE  62          1HE       PHE  62   5.629  -1.867  -7.463
  562    HE2  PHE  62          2HE       PHE  62   1.690  -0.410  -8.160
  563    HZ   PHE  62           HZ       PHE  62   4.118  -0.191  -8.443
  564    QB   PHE  62           QB       PHE  62   1.932  -4.880  -5.958
  565    QD   PHE  62           QD       PHE  62   2.737  -3.044  -6.550
  566    QE   PHE  62           QE       PHE  62   3.659  -1.138  -7.811
  567    QR   PHE  62           QR       PHE  62   3.382  -1.711  -7.433
  568    H    GLN  63           H        GLN  63   2.860  -1.946  -3.180
  569    HA   GLN  63           HA       GLN  63   0.273  -0.595  -3.524
  570   1HB   GLN  63          2HB       GLN  63   1.976  -0.356  -1.064
  571   2HB   GLN  63          1HB       GLN  63   0.457   0.450  -1.385
  572   1HG   GLN  63          2HG       GLN  63  -0.672  -1.751  -1.266
  573   2HG   GLN  63          1HG       GLN  63   0.882  -2.466  -0.828
  574   1HE2  GLN  63          1HE2      GLN  63  -1.548  -2.244   0.785
  575   2HE2  GLN  63          2HE2      GLN  63  -1.018  -1.342   2.179
  576    QB   GLN  63           QB       GLN  63   1.216   0.047  -1.224
  577    QG   GLN  63           QG       GLN  63   0.105  -2.108  -1.047
  578    QE   GLN  63           QE2      GLN  63  -1.283  -1.793   1.482
  579    H    TRP  64           H        TRP  64   0.566   1.635  -4.003
  580    HA   TRP  64           HA       TRP  64   3.167   2.577  -3.412
  581   1HB   TRP  64          2HB       TRP  64   3.704   3.450  -5.511
  582   2HB   TRP  64          1HB       TRP  64   3.148   1.791  -5.805
  583    HD1  TRP  64           HD       TRP  64   3.073   5.158  -7.010
  584    HE1  TRP  64          1HE       TRP  64   1.354   5.472  -8.802
  585    HE3  TRP  64          3HE       TRP  64   0.350   0.936  -6.184
  586    HZ2  TRP  64          2HZ       TRP  64  -0.930   4.116  -9.779
  587    HZ3  TRP  64          3HZ       TRP  64  -1.669   0.577  -7.585
  588    HH2  TRP  64           HH       TRP  64  -2.243   2.106  -9.354
  589    QB   TRP  64           QB       TRP  64   3.426   2.620  -5.658
  590    H    LEU  65           H        LEU  65   3.176   5.043  -3.622
  591    HA   LEU  65           HA       LEU  65   0.529   6.211  -3.414
  592   1HB   LEU  65          2HB       LEU  65   1.032   7.312  -1.289
  593   2HB   LEU  65          1HB       LEU  65   0.961   5.572  -1.132
  594    HG   LEU  65           HG       LEU  65   3.557   6.974  -1.482
  595   1HD1  LEU  65          1HD1      LEU  65   2.010   6.541   1.075
  596   2HD1  LEU  65          3HD1      LEU  65   3.725   6.946   1.027
  597   3HD1  LEU  65          2HD1      LEU  65   2.545   8.085   0.387
  598   1HD2  LEU  65          1HD2      LEU  65   3.603   4.543  -1.653
  599   2HD2  LEU  65          3HD2      LEU  65   4.442   5.058  -0.192
  600   3HD2  LEU  65          2HD2      LEU  65   2.811   4.394  -0.086
  601    MD1  LEU  65           QD1      LEU  65   2.760   7.191   0.829
  602    MD2  LEU  65           QD2      LEU  65   3.619   4.665  -0.643
  603    QB   LEU  65           QB       LEU  65   0.997   6.442  -1.211
  604    QD   LEU  65           QQD      LEU  65   3.189   5.928   0.093
  605    H    GLU  66           H        GLU  66   0.429   8.327  -3.948
  606    HA   GLU  66           HA       GLU  66   2.894   9.567  -4.940
  607   1HB   GLU  66          2HB       GLU  66   0.055  10.418  -5.399
  608   2HB   GLU  66          1HB       GLU  66   1.472  10.945  -6.259
  609   1HG   GLU  66          2HG       GLU  66   1.619   8.631  -7.209
  610   2HG   GLU  66          1HG       GLU  66   0.022   8.339  -6.497
  611    QB   GLU  66           QB       GLU  66   0.763  10.681  -5.829
  612    QG   GLU  66           QG       GLU  66   0.820   8.485  -6.853
  613    H    GLY  67           H        GLY  67   3.610  11.212  -3.676
  614   1HA   GLY  67          1HA       GLY  67   2.513  12.042  -1.295
  615   2HA   GLY  67          2HA       GLY  67   1.805  13.056  -2.567
  616    QA   GLY  67           QA       GLY  67   2.159  12.549  -1.931
  617    H    HIS  68           H        HIS  68   3.168  14.623  -0.996
  618    HA   HIS  68           HA       HIS  68   5.560  15.329  -2.385
  619   1HB   HIS  68          2HB       HIS  68   4.464  17.157  -1.229
  620   2HB   HIS  68          1HB       HIS  68   4.431  16.296   0.280
  621    HD1  HIS  68          1HD       HIS  68   6.394  16.598   1.864
  622    HD2  HIS  68          2HD       HIS  68   6.795  18.137  -1.875
  623    HE1  HIS  68          1HE       HIS  68   8.612  17.731   1.954
  624    HE2  HIS  68          2HE       HIS  68   8.978  18.553  -0.397
  625    QB   HIS  68           QB       HIS  68   4.448  16.727  -0.474
  626    HA   PRO  69           HA       PRO  69   8.399  12.180  -1.232
  627   1HB   PRO  69          2HB       PRO  69  10.380  14.060  -0.315
  628   2HB   PRO  69          1HB       PRO  69  10.359  13.087  -1.789
  629   1HG   PRO  69          2HG       PRO  69   9.480  15.875  -1.352
  630   2HG   PRO  69          1HG       PRO  69  10.013  15.091  -2.853
  631   1HD   PRO  69          2HD       PRO  69   7.483  15.748  -2.473
  632   2HD   PRO  69          1HD       PRO  69   7.880  14.203  -3.253
  633    QB   PRO  69           QB       PRO  69  10.369  13.574  -1.052
  634    QG   PRO  69           QG       PRO  69   9.746  15.483  -2.102
  635    QD   PRO  69           QD       PRO  69   7.681  14.976  -2.863
  636    H    ALA  70           H        ALA  70   8.362  14.768   1.218
  637    HA   ALA  70           HA       ALA  70   9.301  12.941   3.170
  638   1HB   ALA  70          3HB       ALA  70   9.685  15.441   3.237
  639   2HB   ALA  70          1HB       ALA  70   9.220  14.624   4.753
  640   3HB   ALA  70          2HB       ALA  70   8.011  15.517   3.819
  641    MB   ALA  70           QB       ALA  70   8.972  15.194   3.936
  642    H    ALA  71           H        ALA  71   6.179  13.796   2.237
  643    HA   ALA  71           HA       ALA  71   4.853  12.813   4.529
  644   1HB   ALA  71          1HB       ALA  71   4.060  12.889   1.691
  645   2HB   ALA  71          3HB       ALA  71   2.917  12.698   3.027
  646   3HB   ALA  71          2HB       ALA  71   3.824  14.232   2.826
  647    MB   ALA  71           QB       ALA  71   3.600  13.273   2.515
  648    H    VAL  72           H        VAL  72   5.850  11.624   1.462
  649    HA   VAL  72           HA       VAL  72   4.840   8.963   1.508
  650    HB   VAL  72           HB       VAL  72   7.439   9.551   0.190
  651   1HG1  VAL  72          3HG1      VAL  72   6.350   7.451  -0.108
  652   2HG1  VAL  72          2HG1      VAL  72   4.931   8.337  -0.715
  653   3HG1  VAL  72          1HG1      VAL  72   6.457   8.374  -1.640
  654   1HG2  VAL  72          1HG2      VAL  72   4.893  10.829  -0.780
  655   2HG2  VAL  72          3HG2      VAL  72   6.378  11.625  -0.214
  656   3HG2  VAL  72          2HG2      VAL  72   6.403  10.672  -1.700
  657    MG1  VAL  72           QG1      VAL  72   5.913   8.054  -0.821
  658    MG2  VAL  72           QG2      VAL  72   5.892  11.042  -0.898
  659    QG   VAL  72           QQG      VAL  72   5.902   9.548  -0.860
  660    H    ALA  73           H        ALA  73   7.884  10.468   2.401
  661    HA   ALA  73           HA       ALA  73   9.122   8.100   3.205
  662   1HB   ALA  73          1HB       ALA  73   9.743  10.879   4.047
  663   2HB   ALA  73          3HB       ALA  73  10.716   9.392   4.222
  664   3HB   ALA  73          2HB       ALA  73  10.358  10.010   2.587
  665    MB   ALA  73           QB       ALA  73  10.272  10.093   3.619
  666    H    GLU  74           H        GLU  74   7.261  10.494   4.984
  667    HA   GLU  74           HA       GLU  74   7.640   9.510   7.612
  668   1HB   GLU  74          2HB       GLU  74   6.176  11.513   6.938
  669   2HB   GLU  74          1HB       GLU  74   4.951  10.337   6.491
  670   1HG   GLU  74          2HG       GLU  74   5.391   9.469   8.941
  671   2HG   GLU  74          1HG       GLU  74   5.921  11.131   9.179
  672    QB   GLU  74           QB       GLU  74   5.564  10.925   6.715
  673    QG   GLU  74           QG       GLU  74   5.656  10.300   9.060
  674    H    VAL  75           H        VAL  75   5.344   8.686   5.144
  675    HA   VAL  75           HA       VAL  75   4.136   6.474   6.281
  676    HB   VAL  75           HB       VAL  75   4.622   7.316   3.421
  677   1HG1  VAL  75          1HG1      VAL  75   4.421   4.913   3.413
  678   2HG1  VAL  75          3HG1      VAL  75   2.896   5.012   4.320
  679   3HG1  VAL  75          2HG1      VAL  75   3.032   5.707   2.687
  680   1HG2  VAL  75          3HG2      VAL  75   2.174   7.306   5.165
  681   2HG2  VAL  75          2HG2      VAL  75   3.134   8.713   4.697
  682   3HG2  VAL  75          1HG2      VAL  75   2.227   7.815   3.476
  683    MG1  VAL  75           QG1      VAL  75   3.450   5.211   3.474
  684    MG2  VAL  75           QG2      VAL  75   2.512   7.945   4.446
  685    QG   VAL  75           QQG      VAL  75   2.981   6.578   3.960
  686    H    MET  76           H        MET  76   6.984   6.582   4.035
  687    HA   MET  76           HA       MET  76   7.609   3.928   4.085
  688   1HB   MET  76          2HB       MET  76   9.465   6.285   3.967
  689   2HB   MET  76          1HB       MET  76   9.956   4.682   3.541
  690   1HG   MET  76          2HG       MET  76   7.653   5.911   2.298
  691   2HG   MET  76          1HG       MET  76   9.245   6.367   1.647
  692   1HE   MET  76          1HE       MET  76   6.365   4.008   2.035
  693   2HE   MET  76          3HE       MET  76   6.752   2.542   1.116
  694   3HE   MET  76          2HE       MET  76   7.541   2.805   2.671
  695    QB   MET  76           QB       MET  76   9.711   5.483   3.754
  696    QG   MET  76           QG       MET  76   8.449   6.139   1.973
  697    ME   MET  76           QE       MET  76   6.886   3.118   1.941
  698    H    SER  77           H        SER  77   8.776   6.433   6.290
  699    HA   SER  77           HA       SER  77  10.436   4.791   7.822
  700   1HB   SER  77          2HB       SER  77   8.850   7.185   8.786
  701   2HB   SER  77          1HB       SER  77  10.319   6.529   9.516
  702    HG   SER  77           HG       SER  77  10.021   7.813   7.009
  703    QB   SER  77           QB       SER  77   9.584   6.857   9.151
  704    H    HIS  78           H        HIS  78   6.999   5.482   8.297
  705    HA   HIS  78           HA       HIS  78   6.688   3.869  10.627
  706   1HB   HIS  78          2HB       HIS  78   4.645   4.341   8.434
  707   2HB   HIS  78          1HB       HIS  78   4.310   3.649  10.002
  708    HD1  HIS  78          1HD       HIS  78   5.360   5.604  11.942
  709    HD2  HIS  78          2HD       HIS  78   3.602   6.788   8.385
  710    HE1  HIS  78          1HE       HIS  78   4.564   7.972  12.324
  711    HE2  HIS  78          2HE       HIS  78   3.606   8.697  10.092
  712    QB   HIS  78           QB       HIS  78   4.477   3.995   9.218
  713    H    ILE  79           H        ILE  79   6.209   3.175   7.268
  714    HA   ILE  79           HA       ILE  79   5.392   0.492   7.462
  715    HB   ILE  79           HB       ILE  79   6.097   2.454   5.420
  716   1HG1  ILE  79          2HG1      ILE  79   3.711   0.670   5.774
  717   2HG1  ILE  79          1HG1      ILE  79   3.874   2.346   6.291
  718   1HG2  ILE  79          3HG2      ILE  79   6.315  -0.381   4.904
  719   2HG2  ILE  79          2HG2      ILE  79   5.633   0.650   3.622
  720   3HG2  ILE  79          1HG2      ILE  79   7.253   0.952   4.293
  721   1HD1  ILE  79          3HD1      ILE  79   4.186   2.953   3.915
  722   2HD1  ILE  79          2HD1      ILE  79   3.748   1.287   3.495
  723   3HD1  ILE  79          1HD1      ILE  79   2.600   2.325   4.361
  724    MG   ILE  79           QG2      ILE  79   6.400   0.407   4.273
  725    MD   ILE  79           QD1      ILE  79   3.511   2.189   3.924
  726    QG   ILE  79           QG1      ILE  79   3.792   1.508   6.033
  727    H    GLN  80           H        GLN  80   8.577   1.769   6.637
  728    HA   GLN  80           HA       GLN  80   9.763  -0.693   6.301
  729   1HB   GLN  80          2HB       GLN  80  10.943   1.988   7.024
  730   2HB   GLN  80          1HB       GLN  80  11.875   0.592   6.482
  731   1HG   GLN  80          2HG       GLN  80   9.729   1.998   4.780
  732   2HG   GLN  80          1HG       GLN  80  11.412   2.124   4.550
  733   1HE2  GLN  80          1HE2      GLN  80   8.811   0.064   4.292
  734   2HE2  GLN  80          2HE2      GLN  80   9.734  -1.020   3.285
  735    QB   GLN  80           QB       GLN  80  11.409   1.290   6.753
  736    QG   GLN  80           QG       GLN  80  10.571   2.061   4.665
  737    QE   GLN  80           QE2      GLN  80   9.273  -0.478   3.789
  738    H    ARG  81           H        ARG  81   8.757   0.782   9.258
  739    HA   ARG  81           HA       ARG  81  10.379  -0.964  10.900
  740   1HB   ARG  81          2HB       ARG  81   8.164   0.991  11.414
  741   2HB   ARG  81          1HB       ARG  81   8.498  -0.227  12.628
  742   1HG   ARG  81          2HG       ARG  81   9.602   1.904  13.106
  743   2HG   ARG  81          1HG       ARG  81  10.756   0.587  12.882
  744   1HD   ARG  81          2HD       ARG  81  11.204   1.356  10.639
  745   2HD   ARG  81          1HD       ARG  81   9.997   2.622  10.808
  746    HE   ARG  81           HE       ARG  81  12.000   2.780  12.817
  747   1HH1  ARG  81          1HH1      ARG  81  11.373   3.512   9.444
  748   2HH1  ARG  81          2HH1      ARG  81  12.456   4.852   9.377
  749   1HH2  ARG  81          1HH2      ARG  81  13.475   4.587  12.721
  750   2HH2  ARG  81          2HH2      ARG  81  13.669   5.464  11.269
  751    QB   ARG  81           QB       ARG  81   8.331   0.382  12.021
  752    QG   ARG  81           QG       ARG  81  10.179   1.246  12.994
  753    QD   ARG  81           QD       ARG  81  10.600   1.989  10.723
  754    QH1  ARG  81           QH1      ARG  81  11.915   4.182   9.411
  755    QH2  ARG  81           QH2      ARG  81  13.572   5.026  11.995
  756    H    ASP  82           H        ASP  82   8.763  -2.013   8.786
  757    HA   ASP  82           HA       ASP  82   6.570  -3.322   9.062
  758   1HB   ASP  82          2HB       ASP  82   7.350  -3.769   7.221
  759   2HB   ASP  82          1HB       ASP  82   9.012  -4.177   7.625
  760    QB   ASP  82           QB       ASP  82   8.181  -3.973   7.423
  761    H    ARG  83           H        ARG  83   5.803  -5.268   9.300
  762    HA   ARG  83           HA       ARG  83   6.154  -7.043  11.348
  763   1HB   ARG  83          2HB       ARG  83   4.830  -5.887  13.173
  764   2HB   ARG  83          1HB       ARG  83   6.418  -5.189  12.885
  765   1HG   ARG  83          2HG       ARG  83   5.264  -3.571  11.338
  766   2HG   ARG  83          1HG       ARG  83   3.741  -4.105  12.048
  767   1HD   ARG  83          2HD       ARG  83   6.064  -2.787  13.456
  768   2HD   ARG  83          1HD       ARG  83   4.439  -2.156  13.212
  769    HE   ARG  83           HE       ARG  83   4.507  -4.596  14.716
  770   1HH1  ARG  83          1HH1      ARG  83   4.621  -1.097  14.869
  771   2HH1  ARG  83          2HH1      ARG  83   4.367  -1.006  16.547
  772   1HH2  ARG  83          1HH2      ARG  83   4.160  -4.515  17.018
  773   2HH2  ARG  83          2HH2      ARG  83   4.089  -3.018  17.807
  774    QB   ARG  83           QB       ARG  83   5.624  -5.538  13.029
  775    QG   ARG  83           QG       ARG  83   4.503  -3.838  11.693
  776    QD   ARG  83           QD       ARG  83   5.251  -2.472  13.334
  777    QH1  ARG  83           QH1      ARG  83   4.494  -1.052  15.708
  778    QH2  ARG  83           QH2      ARG  83   4.125  -3.766  17.412
  779    H    ARG  84           H        ARG  84   4.048  -4.720   9.766
  780    HA   ARG  84           HA       ARG  84   1.727  -6.434   9.811
  781   1HB   ARG  84          2HB       ARG  84   2.307  -3.625   9.339
  782   2HB   ARG  84          1HB       ARG  84   1.133  -4.425   8.289
  783   1HG   ARG  84          2HG       ARG  84  -0.012  -3.356  10.034
  784   2HG   ARG  84          1HG       ARG  84  -0.144  -5.096  10.214
  785   1HD   ARG  84          2HD       ARG  84   1.548  -4.989  11.982
  786   2HD   ARG  84          1HD       ARG  84   1.594  -3.219  11.792
  787    HE   ARG  84           HE       ARG  84  -0.943  -4.435  12.016
  788   1HH1  ARG  84          1HH1      ARG  84   1.572  -2.651  13.820
  789   2HH1  ARG  84          2HH1      ARG  84   0.520  -2.161  15.060
  790   1HH2  ARG  84          1HH2      ARG  84  -2.317  -3.807  13.701
  791   2HH2  ARG  84          2HH2      ARG  84  -1.781  -2.825  15.016
  792    QB   ARG  84           QB       ARG  84   1.720  -4.025   8.814
  793    QG   ARG  84           QG       ARG  84  -0.078  -4.226  10.124
  794    QD   ARG  84           QD       ARG  84   1.571  -4.104  11.887
  795    QH1  ARG  84           QH1      ARG  84   1.046  -2.406  14.440
  796    QH2  ARG  84           QH2      ARG  84  -2.049  -3.316  14.359
  797    H    HIS  85           H        HIS  85   4.278  -6.715   7.837
  798    HA   HIS  85           HA       HIS  85   2.801  -7.667   5.725
  799   1HB   HIS  85          2HB       HIS  85   3.912  -6.112   3.897
  800   2HB   HIS  85          1HB       HIS  85   2.469  -5.567   4.690
  801    HD1  HIS  85          1HD       HIS  85   3.346  -3.166   3.726
  802    HD2  HIS  85          2HD       HIS  85   5.642  -4.793   6.798
  803    HE1  HIS  85          1HE       HIS  85   4.751  -1.357   4.644
  804    HE2  HIS  85          2HE       HIS  85   5.949  -2.317   6.583
  805    QB   HIS  85           QB       HIS  85   3.191  -5.839   4.293
  806    H    SER  86           H        SER  86   4.854  -7.622   3.811
  807    HA   SER  86           HA       SER  86   6.901  -8.696   5.480
  808   1HB   SER  86          2HB       SER  86   5.317  -9.834   3.624
  809   2HB   SER  86          1HB       SER  86   6.942 -10.603   3.548
  810    HG   SER  86           HG       SER  86   6.084 -10.331   6.090
  811    QB   SER  86           QB       SER  86   6.129 -10.219   3.586
  812    H    ASN  87           H        ASN  87   8.732  -7.976   5.134
  813    HA   ASN  87           HA       ASN  87  10.652  -7.206   4.360
  814   1HB   ASN  87          2HB       ASN  87   9.834  -7.908   1.508
  815   2HB   ASN  87          1HB       ASN  87  11.400  -7.382   2.025
  816   1HD2  ASN  87          1HD2      ASN  87   9.172 -10.038   2.095
  817   2HD2  ASN  87          2HD2      ASN  87  10.292 -11.211   2.658
  818    QB   ASN  87           QB       ASN  87  10.617  -7.645   1.767
  819    QD   ASN  87           QD2      ASN  87   9.732 -10.625   2.377
  820    H    VAL  88           H        VAL  88   8.096  -6.071   2.774
  821    HA   VAL  88           HA       VAL  88   7.804  -4.325   1.473
  822    HB   VAL  88           HB       VAL  88   6.761  -3.839   3.438
  823   1HG1  VAL  88          2HG1      VAL  88   8.450  -4.003   4.987
  824   2HG1  VAL  88          1HG1      VAL  88   9.179  -2.434   4.478
  825   3HG1  VAL  88          3HG1      VAL  88   7.500  -2.460   5.090
  826   1HG2  VAL  88          3HG2      VAL  88   6.778  -2.111   1.704
  827   2HG2  VAL  88          2HG2      VAL  88   6.513  -1.457   3.317
  828   3HG2  VAL  88          1HG2      VAL  88   8.077  -1.283   2.546
  829    MG1  VAL  88           QG1      VAL  88   8.376  -2.965   4.852
  830    MG2  VAL  88           QG2      VAL  88   7.123  -1.617   2.522
  831    QG   VAL  88           QQG      VAL  88   7.750  -2.291   3.687
  832    H    GLU  89           H        GLU  89   9.232  -4.566   0.082
  833    HA   GLU  89           HA       GLU  89  11.548  -2.828   0.331
  834   1HB   GLU  89          2HB       GLU  89  11.704  -5.280  -0.272
  835   2HB   GLU  89          1HB       GLU  89  11.070  -4.814  -1.844
  836   1HG   GLU  89          2HG       GLU  89  13.444  -5.000  -1.761
  837   2HG   GLU  89          1HG       GLU  89  12.951  -3.358  -2.219
  838    QB   GLU  89           QB       GLU  89  11.387  -5.047  -1.058
  839    QG   GLU  89           QG       GLU  89  13.197  -4.179  -1.990
  840    H    ILE  90           H        ILE  90  10.889  -1.021  -0.138
  841    HA   ILE  90           HA       ILE  90   9.080   0.175  -1.806
  842    HB   ILE  90           HB       ILE  90  11.813   1.301  -1.810
  843   1HG1  ILE  90          2HG1      ILE  90  11.683   0.502   0.446
  844   2HG1  ILE  90          1HG1      ILE  90  11.430   2.238   0.481
  845   1HG2  ILE  90          1HG2      ILE  90   9.912   2.604  -2.821
  846   2HG2  ILE  90          3HG2      ILE  90   9.106   2.554  -1.239
  847   3HG2  ILE  90          2HG2      ILE  90  10.602   3.423  -1.421
  848   1HD1  ILE  90          2HD1      ILE  90   9.045   1.895   0.637
  849   2HD1  ILE  90          1HD1      ILE  90   9.300   0.149   0.606
  850   3HD1  ILE  90          3HD1      ILE  90   9.897   1.102   1.973
  851    MG   ILE  90           QG2      ILE  90   9.873   2.860  -1.827
  852    MD   ILE  90           QD1      ILE  90   9.414   1.049   1.072
  853    QG   ILE  90           QG1      ILE  90  11.556   1.370   0.463
  854    H    LEU  91           H        LEU  91  12.351  -0.222  -2.756
  855    HA   LEU  91           HA       LEU  91  13.426  -0.879  -4.627
  856   1HB   LEU  91          2HB       LEU  91  10.708  -1.811  -5.525
  857   2HB   LEU  91          1HB       LEU  91  12.144  -1.982  -6.508
  858    HG   LEU  91           HG       LEU  91  11.738  -3.274  -3.794
  859   1HD1  LEU  91          2HD1      LEU  91  11.595  -4.407  -6.576
  860   2HD1  LEU  91          1HD1      LEU  91  11.536  -5.336  -5.076
  861   3HD1  LEU  91          3HD1      LEU  91  10.248  -4.200  -5.460
  862   1HD2  LEU  91          1HD2      LEU  91  13.897  -3.580  -5.880
  863   2HD2  LEU  91          3HD2      LEU  91  14.089  -2.822  -4.301
  864   3HD2  LEU  91          2HD2      LEU  91  13.739  -4.545  -4.414
  865    MD1  LEU  91           QD1      LEU  91  11.126  -4.648  -5.704
  866    MD2  LEU  91           QD2      LEU  91  13.908  -3.649  -4.865
  867    QB   LEU  91           QB       LEU  91  11.426  -1.896  -6.017
  868    QD   LEU  91           QQD      LEU  91  12.517  -4.148  -5.285
  869    H    ALA  92           H        ALA  92  10.584   0.948  -5.097
  870    HA   ALA  92           HA       ALA  92  12.003   2.463  -7.189
  871   1HB   ALA  92          2HB       ALA  92  10.485   0.961  -8.325
  872   2HB   ALA  92          3HB       ALA  92   9.920   2.634  -8.479
  873   3HB   ALA  92          1HB       ALA  92   9.155   1.550  -7.321
  874    MB   ALA  92           QB       ALA  92   9.853   1.715  -8.042
  875    H    GLU  93           H        GLU  93  12.218   4.450  -6.474
  876    HA   GLU  93           HA       GLU  93   9.821   5.750  -5.434
  877   1HB   GLU  93          2HB       GLU  93  12.700   6.490  -4.689
  878   2HB   GLU  93          1HB       GLU  93  11.198   7.198  -4.097
  879   1HG   GLU  93          2HG       GLU  93  10.571   5.316  -2.992
  880   2HG   GLU  93          1HG       GLU  93  11.956   4.391  -3.594
  881    QB   GLU  93           QB       GLU  93  11.949   6.844  -4.393
  882    QG   GLU  93           QG       GLU  93  11.263   4.854  -3.293
  883    H    GLU  94           H        GLU  94   9.117   6.977  -6.991
  884    HA   GLU  94           HA       GLU  94  11.069   8.108  -8.849
  885   1HB   GLU  94          2HB       GLU  94   9.255   7.951 -10.582
  886   2HB   GLU  94          1HB       GLU  94   9.835   6.401  -9.995
  887   1HG   GLU  94          2HG       GLU  94   7.861   6.274  -8.520
  888   2HG   GLU  94          1HG       GLU  94   7.263   7.773  -9.246
  889    QB   GLU  94           QB       GLU  94   9.545   7.176 -10.289
  890    QG   GLU  94           QG       GLU  94   7.562   7.023  -8.883
  891    H    SER  95           H        SER  95  10.926  10.250  -9.337
  892    HA   SER  95           HA       SER  95   9.263  11.808  -7.583
  893   1HB   SER  95          2HB       SER  95  11.296  12.671  -9.653
  894   2HB   SER  95          1HB       SER  95  10.513  13.707  -8.447
  895    HG   SER  95           HG       SER  95  12.057  11.425  -7.773
  896    QB   SER  95           QB       SER  95  10.904  13.189  -9.050
  897    H    ILE  96           H        ILE  96   7.394  12.489  -8.084
  898    HA   ILE  96           HA       ILE  96   6.519  12.417 -10.925
  899    HB   ILE  96           HB       ILE  96   4.328  12.018 -10.181
  900   1HG1  ILE  96          2HG1      ILE  96   5.454  11.220  -7.528
  901   2HG1  ILE  96          1HG1      ILE  96   4.881  12.851  -7.786
  902   1HG2  ILE  96          1HG2      ILE  96   5.733  10.206 -10.981
  903   2HG2  ILE  96          3HG2      ILE  96   6.385   9.952  -9.362
  904   3HG2  ILE  96          2HG2      ILE  96   4.686   9.589  -9.698
  905   1HD1  ILE  96          2HD1      ILE  96   3.226  10.392  -8.136
  906   2HD1  ILE  96          1HD1      ILE  96   3.335  11.420  -6.689
  907   3HD1  ILE  96          3HD1      ILE  96   2.726  12.094  -8.179
  908    MG   ILE  96           QG2      ILE  96   5.601   9.916 -10.014
  909    MD   ILE  96           QD1      ILE  96   3.096  11.302  -7.668
  910    QG   ILE  96           QG1      ILE  96   5.167  12.036  -7.657
  911    H    ALA  97           H        ALA  97   4.447  13.538 -11.320
  912    HA   ALA  97           HA       ALA  97   4.473  16.157 -10.036
  913   1HB   ALA  97          1HB       ALA  97   4.809  16.206 -12.461
  914   2HB   ALA  97          2HB       ALA  97   3.251  16.956 -11.959
  915   3HB   ALA  97          3HB       ALA  97   3.279  15.314 -12.609
  916    MB   ALA  97           QB       ALA  97   3.779  16.159 -12.343
  917    H    LYS  98           H        LYS  98   3.171  13.484  -9.878
  918    HA   LYS  98           HA       LYS  98   1.230  12.475  -9.197
  919   1HB   LYS  98          2HB       LYS  98   2.229  13.961  -7.521
  920   2HB   LYS  98          1HB       LYS  98   0.974  15.099  -7.927
  921   1HG   LYS  98          2HG       LYS  98   0.059  12.427  -7.278
  922   2HG   LYS  98          1HG       LYS  98   1.032  13.249  -6.078
  923   1HD   LYS  98          2HD       LYS  98  -0.803  15.035  -7.161
  924   2HD   LYS  98          1HD       LYS  98  -1.672  13.647  -6.420
  925   1HE   LYS  98          2HE       LYS  98  -0.249  13.876  -4.590
  926   2HE   LYS  98          1HE       LYS  98   0.484  15.319  -5.320
  927   1HZ   LYS  98          3HZ       LYS  98  -2.413  15.091  -4.550
  928   2HZ   LYS  98          2HZ       LYS  98  -1.266  15.980  -3.691
  929   3HZ   LYS  98          1HZ       LYS  98  -1.674  16.422  -5.279
  930    QB   LYS  98           QB       LYS  98   1.602  14.530  -7.724
  931    QD   LYS  98           QD       LYS  98  -1.237  14.341  -6.790
  932    QG   LYS  98           QG       LYS  98   0.546  12.838  -6.678
  933    QE   LYS  98           QE       LYS  98   0.118  14.597  -4.955
  934    QZ   LYS  98           QZ       LYS  98  -1.785  15.831  -4.507
  935    H    ARG  99           H        ARG  99  -1.139  13.454  -8.570
  936    HA   ARG  99           HA       ARG  99  -3.198  14.105  -9.311
  937   1HB   ARG  99          2HB       ARG  99  -2.172  16.236 -10.050
  938   2HB   ARG  99          1HB       ARG  99  -1.608  15.485 -11.518
  939   1HG   ARG  99          2HG       ARG  99  -3.905  15.290 -12.319
  940   2HG   ARG  99          1HG       ARG  99  -4.503  15.960 -10.798
  941   1HD   ARG  99          2HD       ARG  99  -3.525  18.055 -11.231
  942   2HD   ARG  99          1HD       ARG  99  -2.553  17.420 -12.553
  943    HE   ARG  99           HE       ARG  99  -5.259  17.028 -13.146
  944   1HH1  ARG  99          1HH1      ARG  99  -3.053  19.791 -12.749
  945   2HH1  ARG  99          2HH1      ARG  99  -3.811  20.715 -13.960
  946   1HH2  ARG  99          1HH2      ARG  99  -6.253  18.292 -14.770
  947   2HH2  ARG  99          2HH2      ARG  99  -5.693  19.860 -15.128
  948    QB   ARG  99           QB       ARG  99  -1.890  15.861 -10.784
  949    QG   ARG  99           QG       ARG  99  -4.204  15.625 -11.559
  950    QD   ARG  99           QD       ARG  99  -3.039  17.737 -11.892
  951    QH1  ARG  99           QH1      ARG  99  -3.432  20.253 -13.355
  952    QH2  ARG  99           QH2      ARG  99  -5.973  19.076 -14.949
  953    H    ARG 100           H        ARG 100  -1.731  11.740  -9.944
  954    HA   ARG 100           HA       ARG 100  -2.860  10.871 -12.488
  955   1HB   ARG 100          2HB       ARG 100  -0.827   9.650 -10.637
  956   2HB   ARG 100          1HB       ARG 100  -1.325   8.978 -12.186
  957   1HG   ARG 100          2HG       ARG 100  -0.317  10.715 -13.387
  958   2HG   ARG 100          1HG       ARG 100  -0.198  11.727 -11.941
  959   1HD   ARG 100          2HD       ARG 100   1.972  10.748 -12.636
  960   2HD   ARG 100          1HD       ARG 100   1.477  10.303 -11.008
  961    HE   ARG 100           HE       ARG 100   1.039   8.517 -13.290
  962   1HH1  ARG 100          1HH1      ARG 100   2.032   8.987  -9.944
  963   2HH1  ARG 100          2HH1      ARG 100   2.856   7.498  -9.797
  964   1HH2  ARG 100          1HH2      ARG 100   1.976   6.379 -13.064
  965   2HH2  ARG 100          2HH2      ARG 100   2.780   5.948 -11.623
  966    QB   ARG 100           QB       ARG 100  -1.076   9.314 -11.412
  967    QG   ARG 100           QG       ARG 100  -0.257  11.221 -12.664
  968    QD   ARG 100           QD       ARG 100   1.725  10.525 -11.822
  969    QH1  ARG 100           QH1      ARG 100   2.444   8.242  -9.871
  970    QH2  ARG 100           QH2      ARG 100   2.378   6.163 -12.344
  971    H    PHE 101           H        PHE 101  -2.512   9.860  -9.075
  972    HA   PHE 101           HA       PHE 101  -5.022   8.381  -9.376
  973   1HB   PHE 101          2HB       PHE 101  -2.562   7.693  -7.754
  974   2HB   PHE 101          1HB       PHE 101  -4.107   6.871  -7.571
  975    HD1  PHE 101          1HD       PHE 101  -1.268   7.450  -9.853
  976    HD2  PHE 101          2HD       PHE 101  -4.866   5.295  -9.159
  977    HE1  PHE 101          1HE       PHE 101  -0.714   5.938 -11.709
  978    HE2  PHE 101          2HE       PHE 101  -4.321   3.782 -10.994
  979    HZ   PHE 101           HZ       PHE 101  -2.247   4.101 -12.290
  980    QB   PHE 101           QB       PHE 101  -3.335   7.282  -7.663
  981    QD   PHE 101           QD       PHE 101  -3.067   6.373  -9.506
  982    QE   PHE 101           QE       PHE 101  -2.517   4.860 -11.351
  983    QR   PHE 101           QR       PHE 101  -2.683   5.313 -10.801
  984    H    ALA 102           H        ALA 102  -5.505  10.714  -8.869
  985    HA   ALA 102           HA       ALA 102  -5.080  12.112  -6.569
  986   1HB   ALA 102          1HB       ALA 102  -6.078  13.050  -8.594
  987   2HB   ALA 102          2HB       ALA 102  -6.950  13.506  -7.132
  988   3HB   ALA 102          3HB       ALA 102  -7.600  12.255  -8.193
  989    MB   ALA 102           QB       ALA 102  -6.876  12.937  -7.973
  990    H    GLY 103           H        GLY 103  -6.856   9.380  -6.776
  991   1HA   GLY 103          1HA       GLY 103  -8.917   9.052  -5.381
  992   2HA   GLY 103          2HA       GLY 103  -7.924   9.798  -4.116
  993    QA   GLY 103           QA       GLY 103  -8.421   9.425  -4.748
  994    H    TRP 104           H        TRP 104  -6.880   8.400  -2.968
  995    HA   TRP 104           HA       TRP 104  -5.407   6.240  -3.939
  996   1HB   TRP 104          2HB       TRP 104  -4.672   6.202  -1.809
  997   2HB   TRP 104          1HB       TRP 104  -5.979   7.222  -1.307
  998    HD1  TRP 104           HD       TRP 104  -4.687   3.671  -1.108
  999    HE1  TRP 104          1HE       TRP 104  -6.256   2.251   0.364
 1000    HE3  TRP 104          3HE       TRP 104  -8.580   6.965  -0.563
 1001    HZ2  TRP 104          2HZ       TRP 104  -8.821   2.539   1.572
 1002    HZ3  TRP 104          3HZ       TRP 104 -10.472   6.336   0.729
 1003    HH2  TRP 104           HH       TRP 104 -10.638   4.303   1.733
 1004    QB   TRP 104           QB       TRP 104  -5.326   6.712  -1.558
 1005    H    HIS 105           H        HIS 105  -5.695   4.098  -4.421
 1006    HA   HIS 105           HA       HIS 105  -8.456   3.146  -4.358
 1007   1HB   HIS 105          2HB       HIS 105  -6.171   2.806  -6.225
 1008   2HB   HIS 105          1HB       HIS 105  -7.494   1.631  -6.244
 1009    HD1  HIS 105          1HD       HIS 105  -6.861   5.369  -6.778
 1010    HD2  HIS 105          2HD       HIS 105  -9.602   2.417  -7.811
 1011    HE1  HIS 105          1HE       HIS 105  -8.348   6.394  -8.485
 1012    HE2  HIS 105          2HE       HIS 105  -9.735   4.509  -9.313
 1013    QB   HIS 105           QB       HIS 105  -6.832   2.218  -6.235
 1014    H    MET 106           H        MET 106  -8.736   0.947  -3.849
 1015    HA   MET 106           HA       MET 106  -6.442  -0.561  -2.882
 1016   1HB   MET 106          2HB       MET 106  -7.844   0.801  -1.026
 1017   2HB   MET 106          1HB       MET 106  -8.955  -0.541  -1.233
 1018   1HG   MET 106          2HG       MET 106  -6.084  -0.684  -0.322
 1019   2HG   MET 106          1HG       MET 106  -7.508  -0.918   0.669
 1020   1HE   MET 106          2HE       MET 106  -6.313  -3.141   1.623
 1021   2HE   MET 106          1HE       MET 106  -5.867  -4.512   0.606
 1022   3HE   MET 106          3HE       MET 106  -4.935  -3.030   0.526
 1023    QB   MET 106           QB       MET 106  -8.399   0.130  -1.130
 1024    QG   MET 106           QG       MET 106  -6.796  -0.801   0.173
 1025    ME   MET 106           QE       MET 106  -5.705  -3.561   0.918
 1026    H    GLN 107           H        GLN 107  -6.790  -2.731  -3.406
 1027    HA   GLN 107           HA       GLN 107  -8.913  -3.237  -5.199
 1028   1HB   GLN 107          2HB       GLN 107  -8.097  -5.639  -5.200
 1029   2HB   GLN 107          1HB       GLN 107  -6.907  -4.437  -5.645
 1030   1HG   GLN 107          2HG       GLN 107  -5.784  -5.996  -4.305
 1031   2HG   GLN 107          1HG       GLN 107  -6.040  -4.601  -3.269
 1032   1HE2  GLN 107          1HE2      GLN 107  -8.489  -7.064  -4.042
 1033   2HE2  GLN 107          2HE2      GLN 107  -8.555  -7.692  -2.442
 1034    QB   GLN 107           QB       GLN 107  -7.502  -5.038  -5.423
 1035    QG   GLN 107           QG       GLN 107  -5.912  -5.299  -3.787
 1036    QE   GLN 107           QE2      GLN 107  -8.522  -7.378  -3.242
 1037    H    LEU 108           H        LEU 108  -8.566  -3.697  -1.816
 1038    HA   LEU 108           HA       LEU 108 -11.153  -5.014  -1.763
 1039   1HB   LEU 108          2HB       LEU 108  -9.081  -5.923  -0.487
 1040   2HB   LEU 108          1HB       LEU 108  -9.304  -4.564   0.585
 1041    HG   LEU 108           HG       LEU 108 -11.325  -6.780   0.156
 1042   1HD1  LEU 108          2HD1      LEU 108  -9.366  -6.321   2.384
 1043   2HD1  LEU 108          1HD1      LEU 108 -10.654  -7.529   2.381
 1044   3HD1  LEU 108          3HD1      LEU 108  -9.347  -7.633   1.203
 1045   1HD2  LEU 108          1HD2      LEU 108 -11.247  -4.589   2.244
 1046   2HD2  LEU 108          3HD2      LEU 108 -12.392  -4.696   0.905
 1047   3HD2  LEU 108          2HD2      LEU 108 -12.413  -5.912   2.181
 1048    MD1  LEU 108           QD1      LEU 108  -9.789  -7.161   1.990
 1049    MD2  LEU 108           QD2      LEU 108 -12.017  -5.066   1.777
 1050    QB   LEU 108           QB       LEU 108  -9.192  -5.243   0.049
 1051    QD   LEU 108           QQD      LEU 108 -10.903  -6.113   1.883
 1052    H    SER 109           H        SER 109 -11.994  -2.958  -2.503
 1053    HA   SER 109           HA       SER 109 -12.429  -1.119  -0.265
 1054   1HB   SER 109          2HB       SER 109 -13.173   0.463  -2.067
 1055   2HB   SER 109          1HB       SER 109 -11.493  -0.030  -2.239
 1056    HG   SER 109           HG       SER 109 -13.639  -0.486  -3.846
 1057    QB   SER 109           QB       SER 109 -12.333   0.216  -2.153
 1058    H    CYS 110           H        CYS 110 -13.521  -3.772  -1.503
 1059    HA   CYS 110           HA       CYS 110 -16.337  -3.267  -0.995
 1060   1HB   CYS 110          2HB       CYS 110 -15.201  -4.868  -3.310
 1061   2HB   CYS 110          1HB       CYS 110 -16.908  -4.700  -2.929
 1062    HG   CYS 110           HG       CYS 110 -14.948  -2.772  -4.759
 1063    QB   CYS 110           QB       CYS 110 -16.055  -4.784  -3.120
 1064    H    SER 111           H        SER 111 -16.894  -4.683   0.582
 1065    HA   SER 111           HA       SER 111 -15.112  -6.800   1.349
 1066   1HB   SER 111          2HB       SER 111 -17.879  -6.234   2.373
 1067   2HB   SER 111          1HB       SER 111 -16.570  -7.050   3.210
 1068    HG   SER 111           HG       SER 111 -16.069  -5.201   3.970
 1069    QB   SER 111           QB       SER 111 -17.224  -6.642   2.791
 1070    H    GLU 112           H        GLU 112 -16.355  -8.986   1.927
 1071    HA   GLU 112           HA       GLU 112 -17.621  -9.885  -0.554
 1072   1HB   GLU 112          2HB       GLU 112 -16.474 -11.526   1.735
 1073   2HB   GLU 112          1HB       GLU 112 -16.973 -12.079   0.130
 1074   1HG   GLU 112          2HG       GLU 112 -15.197 -10.952  -0.922
 1075   2HG   GLU 112          1HG       GLU 112 -14.794 -10.111   0.579
 1076    QB   GLU 112           QB       GLU 112 -16.723 -11.802   0.932
 1077    QG   GLU 112           QG       GLU 112 -14.995 -10.532  -0.172
 1078    H    ALA 113           H        ALA 113 -18.636 -12.273   1.022
 1079    HA   ALA 113           HA       ALA 113 -20.454 -13.053   2.043
 1080   1HB   ALA 113          2HB       ALA 113 -21.511 -11.846   3.880
 1081   2HB   ALA 113          3HB       ALA 113 -20.747 -10.341   3.367
 1082   3HB   ALA 113          1HB       ALA 113 -19.763 -11.664   3.987
 1083    MB   ALA 113           QB       ALA 113 -20.674 -11.284   3.745
 1084    H    ASP 114           H        ASP 114 -20.546 -10.792  -0.230
 1085    HA   ASP 114           HA       ASP 114 -23.447 -10.926  -0.519
 1086   1HB   ASP 114          2HB       ASP 114 -23.188  -9.203  -2.222
 1087   2HB   ASP 114          1HB       ASP 114 -22.326  -8.710  -0.773
 1088    QB   ASP 114           QB       ASP 114 -22.757  -8.957  -1.498
 1089    H    MET 115           H        MET 115 -20.404 -11.750  -2.050
 1090    HA   MET 115           HA       MET 115 -21.703 -12.936  -4.283
 1091   1HB   MET 115          2HB       MET 115 -18.805 -13.023  -3.453
 1092   2HB   MET 115          1HB       MET 115 -19.426 -13.659  -4.967
 1093   1HG   MET 115          2HG       MET 115 -20.161 -11.428  -5.613
 1094   2HG   MET 115          1HG       MET 115 -19.565 -10.782  -4.087
 1095   1HE   MET 115          1HE       MET 115 -18.760  -9.543  -6.850
 1096   2HE   MET 115          3HE       MET 115 -18.119  -8.964  -5.314
 1097   3HE   MET 115          2HE       MET 115 -17.020  -9.321  -6.641
 1098    QB   MET 115           QB       MET 115 -19.115 -13.341  -4.210
 1099    QG   MET 115           QG       MET 115 -19.863 -11.105  -4.850
 1100    ME   MET 115           QE       MET 115 -17.966  -9.276  -6.268
 1101    H    ARG 116           H        ARG 116 -19.944 -14.167  -1.476
 1102    HA   ARG 116           HA       ARG 116 -19.872 -16.175  -0.405
 1103   1HB   ARG 116          2HB       ARG 116 -22.517 -16.404  -1.737
 1104   2HB   ARG 116          1HB       ARG 116 -21.801 -17.894  -1.140
 1105   1HG   ARG 116          2HG       ARG 116 -23.322 -17.069   0.487
 1106   2HG   ARG 116          1HG       ARG 116 -21.694 -16.826   1.103
 1107   1HD   ARG 116          2HD       ARG 116 -23.126 -14.919   1.559
 1108   2HD   ARG 116          1HD       ARG 116 -21.803 -14.485   0.477
 1109    HE   ARG 116           HE       ARG 116 -23.386 -14.430  -1.343
 1110   1HH1  ARG 116          1HH1      ARG 116 -25.015 -14.842   1.809
 1111   2HH1  ARG 116          2HH1      ARG 116 -26.397 -14.012   1.295
 1112   1HH2  ARG 116          1HH2      ARG 116 -25.272 -13.270  -1.952
 1113   2HH2  ARG 116          2HH2      ARG 116 -26.553 -13.094  -0.854
 1114    QB   ARG 116           QB       ARG 116 -22.159 -17.149  -1.439
 1115    QG   ARG 116           QG       ARG 116 -22.508 -16.947   0.795
 1116    QD   ARG 116           QD       ARG 116 -22.465 -14.702   1.018
 1117    QH1  ARG 116           QH1      ARG 116 -25.706 -14.427   1.552
 1118    QH2  ARG 116           QH2      ARG 116 -25.912 -13.182  -1.403
 1119    H    SER 117           H        SER 117 -20.878 -16.918  -3.682
 1120    HA   SER 117           HA       SER 117 -19.756 -19.530  -3.719
 1121   1HB   SER 117          2HB       SER 117 -21.822 -18.717  -4.909
 1122   2HB   SER 117          1HB       SER 117 -20.767 -17.882  -6.041
 1123    HG   SER 117           HG       SER 117 -20.034 -19.773  -6.791
 1124    QB   SER 117           QB       SER 117 -21.295 -18.300  -5.475
 1125    H    LEU 118           H        LEU 118 -17.795 -17.328  -3.354
 1126    HA   LEU 118           HA       LEU 118 -15.998 -17.608  -5.675
 1127   1HB   LEU 118          2HB       LEU 118 -15.647 -16.078  -3.096
 1128   2HB   LEU 118          1HB       LEU 118 -14.556 -16.040  -4.459
 1129    HG   LEU 118           HG       LEU 118 -17.372 -14.971  -4.436
 1130   1HD1  LEU 118          2HD1      LEU 118 -14.698 -13.580  -4.370
 1131   2HD1  LEU 118          1HD1      LEU 118 -16.268 -12.786  -4.517
 1132   3HD1  LEU 118          3HD1      LEU 118 -15.858 -13.672  -3.048
 1133   1HD2  LEU 118          2HD2      LEU 118 -16.685 -15.766  -6.659
 1134   2HD2  LEU 118          1HD2      LEU 118 -16.790 -14.006  -6.606
 1135   3HD2  LEU 118          3HD2      LEU 118 -15.213 -14.797  -6.544
 1136    MD1  LEU 118           QD1      LEU 118 -15.608 -13.346  -3.978
 1137    MD2  LEU 118           QD2      LEU 118 -16.229 -14.856  -6.603
 1138    QB   LEU 118           QB       LEU 118 -15.101 -16.059  -3.778
 1139    QD   LEU 118           QQD      LEU 118 -15.919 -14.101  -5.291
 1140    H    GLY 119           H        GLY 119 -16.774 -19.039  -2.757
 1141   1HA   GLY 119          1HA       GLY 119 -14.073 -20.173  -2.441
 1142   2HA   GLY 119          2HA       GLY 119 -15.566 -21.010  -2.017
 1143    QA   GLY 119           QA       GLY 119 -14.819 -20.592  -2.229
 1144    H    LEU 120           H        LEU 120 -16.541 -18.323  -1.082
 1145    HA   LEU 120           HA       LEU 120 -15.033 -17.697   1.301
 1146   1HB   LEU 120          2HB       LEU 120 -16.435 -16.023   0.061
 1147   2HB   LEU 120          1HB       LEU 120 -17.824 -17.028   0.463
 1148    HG   LEU 120           HG       LEU 120 -17.512 -16.550   2.837
 1149   1HD1  LEU 120          1HD1      LEU 120 -15.117 -16.118   2.861
 1150   2HD1  LEU 120          3HD1      LEU 120 -15.366 -14.634   1.932
 1151   3HD1  LEU 120          2HD1      LEU 120 -16.016 -14.776   3.564
 1152   1HD2  LEU 120          3HD2      LEU 120 -17.741 -14.122   1.071
 1153   2HD2  LEU 120          2HD2      LEU 120 -19.051 -15.214   1.518
 1154   3HD2  LEU 120          1HD2      LEU 120 -18.278 -14.216   2.746
 1155    MD1  LEU 120           QD1      LEU 120 -15.499 -15.176   2.786
 1156    MD2  LEU 120           QD2      LEU 120 -18.357 -14.517   1.778
 1157    QB   LEU 120           QB       LEU 120 -17.129 -16.525   0.262
 1158    QD   LEU 120           QQD      LEU 120 -16.928 -14.847   2.282
 1159    H    ALA 121           H        ALA 121 -17.990 -19.302   0.344
 1160    HA   ALA 121           HA       ALA 121 -18.481 -20.131   3.008
 1161   1HB   ALA 121          2HB       ALA 121 -20.094 -20.457   0.488
 1162   2HB   ALA 121          1HB       ALA 121 -20.616 -20.999   2.081
 1163   3HB   ALA 121          3HB       ALA 121 -20.379 -19.277   1.768
 1164    MB   ALA 121           QB       ALA 121 -20.363 -20.244   1.446
 1165    H    GLU 122           H        GLU 122 -17.114 -21.604   3.372
 1166    HA   GLU 122           HA       GLU 122 -15.704 -23.428   1.991
 1167   1HB   GLU 122          2HB       GLU 122 -15.556 -23.050   4.431
 1168   2HB   GLU 122          1HB       GLU 122 -17.019 -23.996   4.647
 1169   1HG   GLU 122          2HG       GLU 122 -15.035 -25.301   5.170
 1170   2HG   GLU 122          1HG       GLU 122 -15.896 -25.966   3.781
 1171    QB   GLU 122           QB       GLU 122 -16.288 -23.523   4.539
 1172    QG   GLU 122           QG       GLU 122 -15.466 -25.633   4.476
 1173    H    SER 123           H        SER 123 -16.228 -24.867   0.543
 1174    HA   SER 123           HA       SER 123 -18.858 -26.133   0.598
 1175   1HB   SER 123          2HB       SER 123 -16.785 -26.059  -1.605
 1176   2HB   SER 123          1HB       SER 123 -18.475 -26.556  -1.752
 1177    HG   SER 123           HG       SER 123 -17.989 -24.043  -0.694
 1178    QB   SER 123           QB       SER 123 -17.630 -26.307  -1.679
 1179    H    ARG 124           H        ARG 124 -18.972 -28.197   1.417
 1180    HA   ARG 124           HA       ARG 124 -16.840 -29.979   0.878
 1181   1HB   ARG 124          2HB       ARG 124 -16.407 -30.670   3.167
 1182   2HB   ARG 124          1HB       ARG 124 -16.061 -28.966   3.003
 1183   1HG   ARG 124          2HG       ARG 124 -18.571 -30.090   4.246
 1184   2HG   ARG 124          1HG       ARG 124 -17.144 -29.602   5.147
 1185   1HD   ARG 124          2HD       ARG 124 -17.426 -27.309   4.287
 1186   2HD   ARG 124          1HD       ARG 124 -18.884 -27.825   3.443
 1187    HE   ARG 124           HE       ARG 124 -19.042 -28.511   6.148
 1188   1HH1  ARG 124          1HH1      ARG 124 -19.363 -25.701   4.014
 1189   2HH1  ARG 124          2HH1      ARG 124 -20.264 -24.782   5.122
 1190   1HH2  ARG 124          1HH2      ARG 124 -20.248 -27.211   7.686
 1191   2HH2  ARG 124          2HH2      ARG 124 -20.742 -25.639   7.267
 1192    QB   ARG 124           QB       ARG 124 -16.234 -29.818   3.085
 1193    QG   ARG 124           QG       ARG 124 -17.857 -29.846   4.696
 1194    QD   ARG 124           QD       ARG 124 -18.155 -27.567   3.865
 1195    QH1  ARG 124           QH1      ARG 124 -19.813 -25.241   4.568
 1196    QH2  ARG 124           QH2      ARG 124 -20.495 -26.425   7.477
 1197    H    GLN 125           H        GLN 125 -17.504 -31.841   0.633
 1198    HA   GLN 125           HA       GLN 125 -20.330 -32.426   0.774
 1199   1HB   GLN 125          2HB       GLN 125 -19.623 -34.639  -0.347
 1200   2HB   GLN 125          1HB       GLN 125 -19.420 -33.151  -1.247
 1201   1HG   GLN 125          2HG       GLN 125 -17.510 -34.517  -1.617
 1202   2HG   GLN 125          1HG       GLN 125 -17.025 -33.145  -0.637
 1203   1HE2  GLN 125          1HE2      GLN 125 -15.231 -34.124   0.184
 1204   2HE2  GLN 125          2HE2      GLN 125 -15.296 -35.438   1.295
 1205    QB   GLN 125           QB       GLN 125 -19.522 -33.895  -0.797
 1206    QG   GLN 125           QG       GLN 125 -17.268 -33.831  -1.127
 1207    QE   GLN 125           QE2      GLN 125 -15.263 -34.781   0.740

  No H/Q in entry =        1207
  Start of MODEL   15
    1    H1   LEU   5          2HT       LEU   5  -6.236  31.960 -19.868
    2    H2   LEU   5          1HT       LEU   5  -7.784  32.578 -19.529
    3    H3   LEU   5          3HT       LEU   5  -6.414  33.316 -18.896
    4    HA   LEU   5           HA       LEU   5  -7.403  32.079 -17.166
    5   1HB   LEU   5          2HB       LEU   5  -8.130  30.352 -19.173
    6   2HB   LEU   5          1HB       LEU   5  -6.748  29.525 -18.463
    7    HG   LEU   5           HG       LEU   5  -8.736  28.614 -17.517
    8   1HD1  LEU   5          1HD1      LEU   5  -6.918  28.896 -15.948
    9   2HD1  LEU   5          3HD1      LEU   5  -7.542  30.478 -15.489
   10   3HD1  LEU   5          2HD1      LEU   5  -8.487  29.030 -15.149
   11   1HD2  LEU   5          2HD2      LEU   5 -10.249  30.407 -18.066
   12   2HD2  LEU   5          1HD2      LEU   5 -10.404  29.958 -16.364
   13   3HD2  LEU   5          3HD2      LEU   5  -9.532  31.424 -16.818
   14    MD1  LEU   5           QD1      LEU   5  -7.649  29.468 -15.529
   15    MD2  LEU   5           QD2      LEU   5 -10.062  30.596 -17.083
   16    QB   LEU   5           QB       LEU   5  -7.439  29.938 -18.818
   17    QD   LEU   5           QQD      LEU   5  -8.855  30.032 -16.306
   18    H    GLU   6           H        GLU   6  -5.825  31.810 -15.674
   19    HA   GLU   6           HA       GLU   6  -3.143  31.412 -16.649
   20   1HB   GLU   6          2HB       GLU   6  -3.676  33.391 -15.205
   21   2HB   GLU   6          1HB       GLU   6  -4.078  32.207 -13.957
   22   1HG   GLU   6          2HG       GLU   6  -1.895  33.335 -13.798
   23   2HG   GLU   6          1HG       GLU   6  -1.815  31.562 -13.749
   24    QB   GLU   6           QB       GLU   6  -3.877  32.799 -14.581
   25    QG   GLU   6           QG       GLU   6  -1.855  32.449 -13.773
   26    H    ALA   7           H        ALA   7  -1.754  30.001 -15.592
   27    HA   ALA   7           HA       ALA   7  -2.950  27.459 -15.033
   28   1HB   ALA   7          1HB       ALA   7  -0.650  26.676 -14.740
   29   2HB   ALA   7          2HB       ALA   7  -0.072  28.344 -14.795
   30   3HB   ALA   7          3HB       ALA   7  -0.818  27.619 -16.223
   31    MB   ALA   7           QB       ALA   7  -0.513  27.546 -15.253
   32    H    ASP   8           H        ASP   8  -3.086  26.406 -13.119
   33    HA   ASP   8           HA       ASP   8  -3.498  27.924 -10.774
   34   1HB   ASP   8          2HB       ASP   8  -4.710  25.894 -11.062
   35   2HB   ASP   8          1HB       ASP   8  -3.241  24.959 -11.246
   36    QB   ASP   8           QB       ASP   8  -3.975  25.426 -11.154
   37    H    VAL   9           H        VAL   9  -1.018  25.351 -11.090
   38    HA   VAL   9           HA       VAL   9   0.716  27.115  -9.791
   39    HB   VAL   9           HB       VAL   9   1.690  25.183  -8.484
   40   1HG1  VAL   9          3HG1      VAL   9  -1.191  25.921  -7.969
   41   2HG1  VAL   9          2HG1      VAL   9  -0.129  25.167  -6.776
   42   3HG1  VAL   9          1HG1      VAL   9   0.224  26.788  -7.383
   43   1HG2  VAL   9          2HG2      VAL   9  -0.813  23.921  -9.487
   44   2HG2  VAL   9          1HG2      VAL   9   0.832  23.456  -9.894
   45   3HG2  VAL   9          3HG2      VAL   9   0.235  23.195  -8.234
   46    MG1  VAL   9           QG1      VAL   9  -0.365  25.958  -7.376
   47    MG2  VAL   9           QG2      VAL   9   0.085  23.524  -9.205
   48    QG   VAL   9           QQG      VAL   9  -0.140  24.741  -8.291
   49    H    THR  10           H        THR  10   0.115  25.875 -12.411
   50    HA   THR  10           HA       THR  10   1.001  25.212 -14.335
   51    HB   THR  10           HB       THR  10   3.277  25.350 -14.857
   52    HG1  THR  10          1HG       THR  10   3.630  25.466 -12.080
   53   1HG2  THR  10          2HG2      THR  10   2.377  27.689 -13.205
   54   2HG2  THR  10          1HG2      THR  10   3.725  27.760 -14.346
   55   3HG2  THR  10          3HG2      THR  10   2.092  27.411 -14.917
   56    MG   THR  10           QG2      THR  10   2.731  27.620 -14.156
   57    H    MET  11           H        MET  11   2.693  23.507 -15.309
   58    HA   MET  11           HA       MET  11   1.577  21.106 -14.369
   59   1HB   MET  11          2HB       MET  11   3.693  21.673 -16.435
   60   2HB   MET  11          1HB       MET  11   3.044  20.076 -16.108
   61   1HG   MET  11          2HG       MET  11   0.832  20.773 -16.777
   62   2HG   MET  11          1HG       MET  11   1.378  22.435 -16.972
   63   1HE   MET  11          1HE       MET  11   1.671  18.758 -18.294
   64   2HE   MET  11          3HE       MET  11   2.736  18.948 -19.685
   65   3HE   MET  11          2HE       MET  11   3.369  19.186 -18.058
   66    QB   MET  11           QB       MET  11   3.368  20.874 -16.271
   67    QG   MET  11           QG       MET  11   1.105  21.604 -16.875
   68    ME   MET  11           QE       MET  11   2.592  18.964 -18.679
   69    H    THR  12           H        THR  12   3.026  19.167 -14.081
   70    HA   THR  12           HA       THR  12   4.241  17.950 -12.754
   71    HB   THR  12           HB       THR  12   6.399  18.485 -11.990
   72    HG1  THR  12          1HG       THR  12   5.724  21.109 -12.688
   73   1HG2  THR  12          2HG2      THR  12   6.141  17.601 -14.183
   74   2HG2  THR  12          1HG2      THR  12   5.943  19.209 -14.867
   75   3HG2  THR  12          3HG2      THR  12   7.502  18.715 -14.203
   76    MG   THR  12           QG2      THR  12   6.529  18.508 -14.418
   77    H    GLY  13           H        GLY  13   2.652  20.496 -11.576
   78   1HA   GLY  13          1HA       GLY  13   2.309  19.068  -9.107
   79   2HA   GLY  13          2HA       GLY  13   1.439  20.502  -9.625
   80    QA   GLY  13           QA       GLY  13   1.874  19.785  -9.366
   81    H    SER  14           H        SER  14   4.294  19.311  -8.062
   82    HA   SER  14           HA       SER  14   5.232  21.912  -7.337
   83   1HB   SER  14          2HB       SER  14   4.871  21.484  -4.842
   84   2HB   SER  14          1HB       SER  14   3.425  21.877  -5.770
   85    HG   SER  14           HG       SER  14   2.755  20.145  -4.772
   86    QB   SER  14           QB       SER  14   4.148  21.681  -5.306
   87    H    ASP  15           H        ASP  15   5.296  18.662  -5.870
   88    HA   ASP  15           HA       ASP  15   7.877  17.922  -6.649
   89   1HB   ASP  15          2HB       ASP  15   8.243  19.778  -4.790
   90   2HB   ASP  15          1HB       ASP  15   7.596  18.548  -3.778
   91    QB   ASP  15           QB       ASP  15   7.919  19.163  -4.284
   92    H    LEU  16           H        LEU  16   6.471  16.237  -7.024
   93    HA   LEU  16           HA       LEU  16   5.690  14.823  -4.639
   94   1HB   LEU  16          2HB       LEU  16   4.549  14.521  -7.399
   95   2HB   LEU  16          1HB       LEU  16   4.003  13.708  -5.945
   96    HG   LEU  16           HG       LEU  16   2.372  15.243  -6.358
   97   1HD1  LEU  16          3HD1      LEU  16   2.935  15.428  -4.079
   98   2HD1  LEU  16          2HD1      LEU  16   4.118  16.692  -4.430
   99   3HD1  LEU  16          1HD1      LEU  16   2.406  16.994  -4.699
  100   1HD2  LEU  16          1HD2      LEU  16   4.442  17.278  -7.112
  101   2HD2  LEU  16          3HD2      LEU  16   3.334  16.381  -8.161
  102   3HD2  LEU  16          2HD2      LEU  16   2.695  17.577  -7.024
  103    MD1  LEU  16           QD1      LEU  16   3.153  16.371  -4.403
  104    MD2  LEU  16           QD2      LEU  16   3.490  17.079  -7.432
  105    QB   LEU  16           QB       LEU  16   4.276  14.114  -6.672
  106    QD   LEU  16           QQD      LEU  16   3.322  16.725  -5.917
  107    H    VAL  17           H        VAL  17   5.724  12.664  -4.776
  108    HA   VAL  17           HA       VAL  17   7.715  11.633  -6.376
  109    HB   VAL  17           HB       VAL  17   7.972  11.996  -3.405
  110   1HG1  VAL  17          3HG1      VAL  17   9.076   9.919  -5.088
  111   2HG1  VAL  17          2HG1      VAL  17   9.841  10.346  -3.501
  112   3HG1  VAL  17          1HG1      VAL  17   8.139   9.716  -3.598
  113   1HG2  VAL  17          3HG2      VAL  17   9.186  13.517  -4.936
  114   2HG2  VAL  17          2HG2      VAL  17  10.275  12.588  -3.906
  115   3HG2  VAL  17          1HG2      VAL  17  10.044  12.129  -5.590
  116    MG1  VAL  17           QG1      VAL  17   9.019   9.994  -4.062
  117    MG2  VAL  17           QG2      VAL  17   9.835  12.745  -4.811
  118    QG   VAL  17           QQG      VAL  17   9.427  11.369  -4.436
  119    H    SER  18           H        SER  18   7.550   9.302  -6.223
  120    HA   SER  18           HA       SER  18   5.160   8.252  -4.923
  121   1HB   SER  18          2HB       SER  18   4.773   8.847  -7.374
  122   2HB   SER  18          1HB       SER  18   5.917   7.566  -7.759
  123    HG   SER  18           HG       SER  18   3.834   6.980  -6.025
  124    QB   SER  18           QB       SER  18   5.345   8.206  -7.566
  125    H    CYS  19           H        CYS  19   5.915   6.772  -3.624
  126    HA   CYS  19           HA       CYS  19   8.228   5.187  -4.363
  127   1HB   CYS  19          2HB       CYS  19   6.667   5.370  -1.770
  128   2HB   CYS  19          1HB       CYS  19   8.140   4.433  -2.012
  129    HG   CYS  19           HG       CYS  19   9.799   6.388  -1.450
  130    QB   CYS  19           QB       CYS  19   7.403   4.901  -1.891
  131    H    CYS  20           H        CYS  20   7.924   3.251  -5.226
  132    HA   CYS  20           HA       CYS  20   5.198   2.113  -5.224
  133   1HB   CYS  20          2HB       CYS  20   7.395   1.645  -7.240
  134   2HB   CYS  20          1HB       CYS  20   5.683   1.259  -7.392
  135    HG   CYS  20           HG       CYS  20   7.294   3.914  -8.287
  136    QB   CYS  20           QB       CYS  20   6.539   1.452  -7.316
  137    H    TYR  21           H        TYR  21   5.245   0.385  -3.768
  138    HA   TYR  21           HA       TYR  21   7.870  -0.855  -3.627
  139   1HB   TYR  21          2HB       TYR  21   7.726  -1.193  -1.397
  140   2HB   TYR  21          1HB       TYR  21   7.179   0.415  -1.700
  141    HD1  TYR  21          1HD       TYR  21   5.558  -2.951  -1.021
  142    HD2  TYR  21          2HD       TYR  21   5.592   1.253  -0.461
  143    HE1  TYR  21          1HE       TYR  21   3.695  -3.142   0.660
  144    HE2  TYR  21          2HE       TYR  21   3.834   1.087   1.119
  145    HH   TYR  21           HH       TYR  21   1.967  -0.557   1.752
  146    QB   TYR  21           QB       TYR  21   7.453  -0.389  -1.549
  147    QD   TYR  21           QD       TYR  21   5.575  -0.849  -0.741
  148    QE   TYR  21           QE       TYR  21   3.764  -1.027   0.890
  149    QR   TYR  21           QR       TYR  21   4.670  -0.938   0.074
  150    H    ARG  22           H        ARG  22   8.149  -2.943  -3.482
  151    HA   ARG  22           HA       ARG  22   5.892  -4.674  -4.145
  152   1HB   ARG  22          2HB       ARG  22   7.933  -4.485  -5.702
  153   2HB   ARG  22          1HB       ARG  22   8.863  -5.218  -4.418
  154   1HG   ARG  22          2HG       ARG  22   6.516  -6.528  -5.799
  155   2HG   ARG  22          1HG       ARG  22   8.201  -6.793  -6.213
  156   1HD   ARG  22          2HD       ARG  22   6.884  -7.457  -3.573
  157   2HD   ARG  22          1HD       ARG  22   7.309  -8.615  -4.826
  158    HE   ARG  22           HE       ARG  22   9.116  -7.216  -3.013
  159   1HH1  ARG  22          1HH1      ARG  22   8.751  -9.460  -5.761
  160   2HH1  ARG  22          2HH1      ARG  22  10.247 -10.230  -5.513
  161   1HH2  ARG  22          1HH2      ARG  22  11.211  -8.326  -2.677
  162   2HH2  ARG  22          2HH2      ARG  22  11.641  -9.577  -3.764
  163    QB   ARG  22           QB       ARG  22   8.398  -4.852  -5.060
  164    QG   ARG  22           QG       ARG  22   7.359  -6.660  -6.006
  165    QD   ARG  22           QD       ARG  22   7.097  -8.036  -4.200
  166    QH1  ARG  22           QH1      ARG  22   9.499  -9.845  -5.637
  167    QH2  ARG  22           QH2      ARG  22  11.426  -8.951  -3.220
  168    H    SER  23           H        SER  23   5.208  -5.634  -2.371
  169    HA   SER  23           HA       SER  23   7.140  -6.387  -0.325
  170   1HB   SER  23          2HB       SER  23   5.840  -4.397   0.333
  171   2HB   SER  23          1HB       SER  23   4.416  -5.360  -0.034
  172    HG   SER  23           HG       SER  23   4.964  -6.749   1.666
  173    QB   SER  23           QB       SER  23   5.128  -4.879   0.149
  174    H    LEU  24           H        LEU  24   6.299  -8.187   0.937
  175    HA   LEU  24           HA       LEU  24   4.330  -9.744  -0.534
  176   1HB   LEU  24          2HB       LEU  24   6.523 -10.560   1.399
  177   2HB   LEU  24          1HB       LEU  24   5.235 -11.646   0.936
  178    HG   LEU  24           HG       LEU  24   7.203 -12.225  -0.296
  179   1HD1  LEU  24          1HD1      LEU  24   5.125 -12.458  -1.490
  180   2HD1  LEU  24          3HD1      LEU  24   5.282 -10.821  -2.130
  181   3HD1  LEU  24          2HD1      LEU  24   6.445 -12.068  -2.584
  182   1HD2  LEU  24          2HD2      LEU  24   7.271  -9.391  -1.323
  183   2HD2  LEU  24          1HD2      LEU  24   8.455 -10.109  -0.226
  184   3HD2  LEU  24          3HD2      LEU  24   8.300 -10.698  -1.888
  185    MD1  LEU  24           QD1      LEU  24   5.617 -11.782  -2.068
  186    MD2  LEU  24           QD2      LEU  24   8.009 -10.066  -1.145
  187    QB   LEU  24           QB       LEU  24   5.879 -11.103   1.168
  188    QD   LEU  24           QQD      LEU  24   6.813 -10.924  -1.607
  189    H    ALA  25           H        ALA  25   3.067 -11.087   1.199
  190    HA   ALA  25           HA       ALA  25   2.463  -9.322   3.465
  191   1HB   ALA  25          2HB       ALA  25   0.594 -11.067   1.879
  192   2HB   ALA  25          3HB       ALA  25   0.661  -9.304   1.817
  193   3HB   ALA  25          1HB       ALA  25   0.157 -10.119   3.298
  194    MB   ALA  25           QB       ALA  25   0.471 -10.164   2.331
  195    H    ALA  26           H        ALA  26   2.293 -10.375   5.474
  196    HA   ALA  26           HA       ALA  26   3.550 -12.789   5.536
  197   1HB   ALA  26          2HB       ALA  26   3.835 -11.159   7.194
  198   2HB   ALA  26          1HB       ALA  26   2.112 -11.145   7.586
  199   3HB   ALA  26          3HB       ALA  26   3.091 -12.583   7.969
  200    MB   ALA  26           QB       ALA  26   3.013 -11.629   7.583
  201    HA   PRO  27           HA       PRO  27   0.017 -15.394   4.738
  202   1HB   PRO  27          2HB       PRO  27   0.941 -17.621   6.019
  203   2HB   PRO  27          1HB       PRO  27   1.562 -17.067   4.453
  204   1HG   PRO  27          2HG       PRO  27   2.577 -16.278   7.177
  205   2HG   PRO  27          1HG       PRO  27   3.526 -17.124   5.891
  206   1HD   PRO  27          2HD       PRO  27   3.738 -14.624   6.221
  207   2HD   PRO  27          1HD       PRO  27   3.316 -15.148   4.566
  208    QB   PRO  27           QB       PRO  27   1.252 -17.344   5.236
  209    QG   PRO  27           QG       PRO  27   3.052 -16.701   6.534
  210    QD   PRO  27           QD       PRO  27   3.527 -14.886   5.394
  211    H    ASP  28           H        ASP  28   0.796 -14.313   7.678
  212    HA   ASP  28           HA       ASP  28  -1.458 -15.639   9.014
  213   1HB   ASP  28          2HB       ASP  28  -0.254 -15.509  11.130
  214   2HB   ASP  28          1HB       ASP  28   0.690 -16.382   9.931
  215    QB   ASP  28           QB       ASP  28   0.218 -15.945  10.531
  216    H    LEU  29           H        LEU  29  -1.009 -12.970   7.538
  217    HA   LEU  29           HA       LEU  29  -1.316 -10.944   9.476
  218   1HB   LEU  29          2HB       LEU  29  -2.085 -10.975   6.588
  219   2HB   LEU  29          1HB       LEU  29  -2.294  -9.586   7.621
  220    HG   LEU  29           HG       LEU  29   0.301 -10.860   6.811
  221   1HD1  LEU  29          1HD1      LEU  29  -0.943  -9.495   5.161
  222   2HD1  LEU  29          3HD1      LEU  29  -0.823  -8.134   6.284
  223   3HD1  LEU  29          2HD1      LEU  29   0.649  -8.868   5.594
  224   1HD2  LEU  29          1HD2      LEU  29  -0.233  -8.519   8.643
  225   2HD2  LEU  29          3HD2      LEU  29   0.501 -10.058   9.106
  226   3HD2  LEU  29          2HD2      LEU  29   1.345  -8.969   8.011
  227    MD1  LEU  29           QD1      LEU  29  -0.372  -8.832   5.680
  228    MD2  LEU  29           QD2      LEU  29   0.538  -9.182   8.587
  229    QB   LEU  29           QB       LEU  29  -2.189 -10.281   7.104
  230    QD   LEU  29           QQD      LEU  29   0.083  -9.007   7.133
  231    H    THR  30           H        THR  30  -2.931 -10.167  10.479
  232    HA   THR  30           HA       THR  30  -5.427 -11.451  10.562
  233    HB   THR  30           HB       THR  30  -5.642  -9.289  11.913
  234    HG1  THR  30          1HG       THR  30  -3.646  -8.353  12.277
  235   1HG2  THR  30          3HG2      THR  30  -4.133 -11.753  12.594
  236   2HG2  THR  30          2HG2      THR  30  -4.758 -10.603  13.817
  237   3HG2  THR  30          1HG2      THR  30  -5.876 -11.453  12.707
  238    MG   THR  30           QG2      THR  30  -4.922 -11.270  13.039
  239    H    LEU  31           H        LEU  31  -7.263 -10.779   9.752
  240    HA   LEU  31           HA       LEU  31  -7.610  -8.949   7.629
  241   1HB   LEU  31          2HB       LEU  31  -9.222 -10.738   8.453
  242   2HB   LEU  31          1HB       LEU  31  -9.376  -9.625   9.826
  243    HG   LEU  31           HG       LEU  31 -10.436  -7.956   8.452
  244   1HD1  LEU  31          1HD1      LEU  31  -9.306  -8.448   6.351
  245   2HD1  LEU  31          3HD1      LEU  31 -10.318  -9.900   6.154
  246   3HD1  LEU  31          2HD1      LEU  31 -11.041  -8.277   6.216
  247   1HD2  LEU  31          3HD2      LEU  31 -11.710 -10.659   8.149
  248   2HD2  LEU  31          2HD2      LEU  31 -11.836  -9.574   9.537
  249   3HD2  LEU  31          1HD2      LEU  31 -12.539  -9.106   7.987
  250    MD1  LEU  31           QD1      LEU  31 -10.221  -8.875   6.240
  251    MD2  LEU  31           QD2      LEU  31 -12.028  -9.780   8.558
  252    QB   LEU  31           QB       LEU  31  -9.299 -10.181   9.139
  253    QD   LEU  31           QQD      LEU  31 -11.125  -9.327   7.399
  254    H    ARG  32           H        ARG  32  -7.792  -8.575  11.124
  255    HA   ARG  32           HA       ARG  32  -8.832  -5.972  11.009
  256   1HB   ARG  32          2HB       ARG  32  -8.817  -7.365  13.054
  257   2HB   ARG  32          1HB       ARG  32  -7.081  -7.131  13.167
  258   1HG   ARG  32          2HG       ARG  32  -8.237  -5.624  14.677
  259   2HG   ARG  32          1HG       ARG  32  -7.404  -4.740  13.388
  260   1HD   ARG  32          2HD       ARG  32  -9.459  -4.337  12.213
  261   2HD   ARG  32          1HD       ARG  32 -10.344  -5.417  13.268
  262    HE   ARG  32           HE       ARG  32  -9.375  -3.663  15.009
  263   1HH1  ARG  32          1HH1      ARG  32 -11.072  -3.052  11.945
  264   2HH1  ARG  32          2HH1      ARG  32 -11.816  -1.636  12.501
  265   1HH2  ARG  32          1HH2      ARG  32 -10.468  -1.777  15.759
  266   2HH2  ARG  32          2HH2      ARG  32 -11.498  -0.901  14.743
  267    QB   ARG  32           QB       ARG  32  -7.949  -7.248  13.110
  268    QG   ARG  32           QG       ARG  32  -7.821  -5.182  14.033
  269    QD   ARG  32           QD       ARG  32  -9.902  -4.877  12.740
  270    QH1  ARG  32           QH1      ARG  32 -11.444  -2.344  12.223
  271    QH2  ARG  32           QH2      ARG  32 -10.983  -1.339  15.251
  272    H    ASP  33           H        ASP  33  -5.639  -7.211  10.638
  273    HA   ASP  33           HA       ASP  33  -4.313  -4.698  10.821
  274   1HB   ASP  33          2HB       ASP  33  -3.556  -7.456  10.070
  275   2HB   ASP  33          1HB       ASP  33  -2.527  -6.200   9.436
  276    QB   ASP  33           QB       ASP  33  -3.042  -6.828   9.753
  277    H    LEU  34           H        LEU  34  -5.862  -6.498   8.193
  278    HA   LEU  34           HA       LEU  34  -4.684  -4.734   6.206
  279   1HB   LEU  34          2HB       LEU  34  -7.098  -6.556   5.926
  280   2HB   LEU  34          1HB       LEU  34  -6.521  -5.549   4.631
  281    HG   LEU  34           HG       LEU  34  -5.870  -7.868   4.299
  282   1HD1  LEU  34          1HD1      LEU  34  -3.493  -6.163   5.011
  283   2HD1  LEU  34          3HD1      LEU  34  -3.461  -7.611   4.021
  284   3HD1  LEU  34          2HD1      LEU  34  -4.324  -6.181   3.450
  285   1HD2  LEU  34          1HD2      LEU  34  -5.881  -8.316   6.685
  286   2HD2  LEU  34          3HD2      LEU  34  -4.489  -9.039   5.824
  287   3HD2  LEU  34          2HD2      LEU  34  -4.277  -7.532   6.752
  288    MD1  LEU  34           QD1      LEU  34  -3.759  -6.651   4.161
  289    MD2  LEU  34           QD2      LEU  34  -4.882  -8.296   6.420
  290    QB   LEU  34           QB       LEU  34  -6.809  -6.052   5.278
  291    QD   LEU  34           QQD      LEU  34  -4.321  -7.474   5.290
  292    H    LEU  35           H        LEU  35  -7.505  -4.956   8.020
  293    HA   LEU  35           HA       LEU  35  -8.872  -2.790   6.802
  294   1HB   LEU  35          2HB       LEU  35  -9.252  -4.305   9.369
  295   2HB   LEU  35          1HB       LEU  35 -10.235  -2.902   9.008
  296    HG   LEU  35           HG       LEU  35 -11.242  -5.206   8.470
  297   1HD1  LEU  35          1HD1      LEU  35 -12.140  -3.076   7.558
  298   2HD1  LEU  35          3HD1      LEU  35 -10.984  -3.176   6.228
  299   3HD1  LEU  35          2HD1      LEU  35 -12.259  -4.384   6.383
  300   1HD2  LEU  35          1HD2      LEU  35  -9.223  -6.165   7.400
  301   2HD2  LEU  35          3HD2      LEU  35 -10.610  -6.192   6.300
  302   3HD2  LEU  35          2HD2      LEU  35  -9.324  -4.972   6.160
  303    MD1  LEU  35           QD1      LEU  35 -11.794  -3.545   6.723
  304    MD2  LEU  35           QD2      LEU  35  -9.719  -5.776   6.620
  305    QB   LEU  35           QB       LEU  35  -9.743  -3.604   9.188
  306    QD   LEU  35           QQD      LEU  35 -10.757  -4.661   6.671
  307    H    ASP  36           H        ASP  36  -6.888  -3.149   9.612
  308    HA   ASP  36           HA       ASP  36  -6.872  -0.502  10.576
  309   1HB   ASP  36          2HB       ASP  36  -5.813  -2.389  11.716
  310   2HB   ASP  36          1HB       ASP  36  -4.551  -2.449  10.494
  311    QB   ASP  36           QB       ASP  36  -5.182  -2.419  11.105
  312    H    ILE  37           H        ILE  37  -4.963  -2.026   8.032
  313    HA   ILE  37           HA       ILE  37  -3.339   0.090   7.266
  314    HB   ILE  37           HB       ILE  37  -4.686  -1.959   5.469
  315   1HG1  ILE  37          2HG1      ILE  37  -1.816  -1.936   6.331
  316   2HG1  ILE  37          1HG1      ILE  37  -3.004  -2.784   7.281
  317   1HG2  ILE  37          3HG2      ILE  37  -4.004  -0.060   4.145
  318   2HG2  ILE  37          2HG2      ILE  37  -2.379  -0.129   4.829
  319   3HG2  ILE  37          1HG2      ILE  37  -2.956  -1.437   3.796
  320   1HD1  ILE  37          3HD1      ILE  37  -3.544  -3.973   4.966
  321   2HD1  ILE  37          2HD1      ILE  37  -1.961  -3.369   4.539
  322   3HD1  ILE  37          1HD1      ILE  37  -2.128  -4.467   5.898
  323    MG   ILE  37           QG2      ILE  37  -3.113  -0.542   4.257
  324    MD   ILE  37           QD1      ILE  37  -2.544  -3.937   5.134
  325    QG   ILE  37           QG1      ILE  37  -2.410  -2.360   6.806
  326    H    VAL  38           H        VAL  38  -6.468  -0.844   5.824
  327    HA   VAL  38           HA       VAL  38  -6.611   1.409   4.157
  328    HB   VAL  38           HB       VAL  38  -7.805  -0.680   3.573
  329   1HG1  VAL  38          2HG1      VAL  38  -8.420  -1.384   5.677
  330   2HG1  VAL  38          1HG1      VAL  38  -9.650  -0.121   5.822
  331   3HG1  VAL  38          3HG1      VAL  38  -9.809  -1.387   4.590
  332   1HG2  VAL  38          2HG2      VAL  38  -9.703   1.641   3.893
  333   2HG2  VAL  38          1HG2      VAL  38  -8.618   1.382   2.530
  334   3HG2  VAL  38          3HG2      VAL  38  -9.940   0.256   2.826
  335    MG1  VAL  38           QG1      VAL  38  -9.293  -0.964   5.363
  336    MG2  VAL  38           QG2      VAL  38  -9.421   1.093   3.083
  337    QG   VAL  38           QQG      VAL  38  -9.357   0.064   4.223
  338    H    GLU  39           H        GLU  39  -8.158   0.817   7.264
  339    HA   GLU  39           HA       GLU  39  -9.714   3.157   7.212
  340   1HB   GLU  39          2HB       GLU  39  -8.850   1.364   9.457
  341   2HB   GLU  39          1HB       GLU  39 -10.012   2.657   9.685
  342   1HG   GLU  39          2HG       GLU  39 -11.485   1.582   8.020
  343   2HG   GLU  39          1HG       GLU  39 -10.291   0.305   7.819
  344    QB   GLU  39           QB       GLU  39  -9.431   2.010   9.571
  345    QG   GLU  39           QG       GLU  39 -10.888   0.943   7.919
  346    H    THR  40           H        THR  40  -6.436   2.548   8.261
  347    HA   THR  40           HA       THR  40  -6.209   5.163   9.448
  348    HB   THR  40           HB       THR  40  -4.065   3.154   8.770
  349    HG1  THR  40          1HG       THR  40  -4.931   2.139  10.319
  350   1HG2  THR  40          2HG2      THR  40  -4.028   5.601  10.553
  351   2HG2  THR  40          1HG2      THR  40  -2.731   4.411  10.440
  352   3HG2  THR  40          3HG2      THR  40  -3.153   5.379   9.038
  353    MG   THR  40           QG2      THR  40  -3.304   5.130  10.010
  354    H    SER  41           H        SER  41  -4.937   3.578   6.504
  355    HA   SER  41           HA       SER  41  -3.167   5.487   5.648
  356   1HB   SER  41          2HB       SER  41  -3.552   4.472   3.367
  357   2HB   SER  41          1HB       SER  41  -3.115   3.357   4.669
  358    HG   SER  41           HG       SER  41  -5.046   2.538   4.653
  359    QB   SER  41           QB       SER  41  -3.334   3.914   4.018
  360    H    GLN  42           H        GLN  42  -6.498   5.161   4.477
  361    HA   GLN  42           HA       GLN  42  -6.611   7.303   2.712
  362   1HB   GLN  42          2HB       GLN  42  -8.710   6.320   4.597
  363   2HB   GLN  42          1HB       GLN  42  -9.022   7.451   3.292
  364   1HG   GLN  42          2HG       GLN  42  -8.640   5.877   1.647
  365   2HG   GLN  42          1HG       GLN  42  -7.737   4.835   2.746
  366   1HE2  GLN  42          1HE2      GLN  42  -9.684   5.020   4.900
  367   2HE2  GLN  42          2HE2      GLN  42 -10.964   4.020   4.323
  368    QB   GLN  42           QB       GLN  42  -8.866   6.885   3.945
  369    QG   GLN  42           QG       GLN  42  -8.188   5.356   2.196
  370    QE   GLN  42           QE2      GLN  42 -10.324   4.520   4.611
  371    H    ALA  43           H        ALA  43  -7.168   7.345   6.168
  372    HA   ALA  43           HA       ALA  43  -7.955  10.086   6.238
  373   1HB   ALA  43          2HB       ALA  43  -8.146   9.714   8.620
  374   2HB   ALA  43          3HB       ALA  43  -7.161   8.242   8.475
  375   3HB   ALA  43          1HB       ALA  43  -8.748   8.298   7.721
  376    MB   ALA  43           QB       ALA  43  -8.018   8.751   8.272
  377    H    HIS  44           H        HIS  44  -4.963   8.395   6.731
  378    HA   HIS  44           HA       HIS  44  -3.492  10.755   7.628
  379   1HB   HIS  44          2HB       HIS  44  -2.882   8.292   8.185
  380   2HB   HIS  44          1HB       HIS  44  -2.442   8.197   6.477
  381    HD1  HIS  44          1HD       HIS  44  -0.280   7.571   8.533
  382    HD2  HIS  44          2HD       HIS  44  -0.880  11.355   6.945
  383    HE1  HIS  44          1HE       HIS  44   1.914   8.762   8.644
  384    HE2  HIS  44          2HE       HIS  44   1.615  10.875   7.609
  385    QB   HIS  44           QB       HIS  44  -2.662   8.245   7.331
  386    H    ASN  45           H        ASN  45  -3.945   8.956   4.620
  387    HA   ASN  45           HA       ASN  45  -2.093  10.485   3.137
  388   1HB   ASN  45          2HB       ASN  45  -4.302   8.622   2.293
  389   2HB   ASN  45          1HB       ASN  45  -3.343   9.513   1.115
  390   1HD2  ASN  45          1HD2      ASN  45  -2.527   7.597   0.270
  391   2HD2  ASN  45          2HD2      ASN  45  -1.363   6.639   1.117
  392    QB   ASN  45           QB       ASN  45  -3.822   9.068   1.704
  393    QD   ASN  45           QD2      ASN  45  -1.945   7.118   0.693
  394    H    ALA  46           H        ALA  46  -5.546  10.782   3.677
  395    HA   ALA  46           HA       ALA  46  -6.060  12.897   1.937
  396   1HB   ALA  46          2HB       ALA  46  -7.867  13.502   3.488
  397   2HB   ALA  46          3HB       ALA  46  -7.137  12.477   4.726
  398   3HB   ALA  46          1HB       ALA  46  -7.812  11.753   3.264
  399    MB   ALA  46           QB       ALA  46  -7.605  12.577   3.826
  400    H    ARG  47           H        ARG  47  -4.858  12.818   5.217
  401    HA   ARG  47           HA       ARG  47  -4.489  15.573   5.639
  402   1HB   ARG  47          2HB       ARG  47  -4.414  13.717   7.385
  403   2HB   ARG  47          1HB       ARG  47  -2.781  13.415   6.796
  404   1HG   ARG  47          2HG       ARG  47  -2.115  15.661   7.334
  405   2HG   ARG  47          1HG       ARG  47  -3.734  15.998   7.970
  406   1HD   ARG  47          2HD       ARG  47  -2.428  15.577   9.853
  407   2HD   ARG  47          1HD       ARG  47  -3.267  14.057   9.572
  408    HE   ARG  47           HE       ARG  47  -0.915  13.689   8.275
  409   1HH1  ARG  47          1HH1      ARG  47  -1.604  14.937  11.514
  410   2HH1  ARG  47          2HH1      ARG  47  -0.207  14.273  12.220
  411   1HH2  ARG  47          1HH2      ARG  47   1.030  12.814   9.253
  412   2HH2  ARG  47          2HH2      ARG  47   1.337  13.056  10.897
  413    QB   ARG  47           QB       ARG  47  -3.597  13.566   7.090
  414    QG   ARG  47           QG       ARG  47  -2.925  15.829   7.652
  415    QD   ARG  47           QD       ARG  47  -2.847  14.817   9.712
  416    QH1  ARG  47           QH1      ARG  47  -0.905  14.605  11.867
  417    QH2  ARG  47           QH2      ARG  47   1.183  12.935  10.075
  418    H    ALA  48           H        ALA  48  -2.158  13.064   4.751
  419    HA   ALA  48           HA       ALA  48  -0.096  14.931   4.497
  420   1HB   ALA  48          3HB       ALA  48   0.276  12.514   5.109
  421   2HB   ALA  48          1HB       ALA  48   1.301  13.151   3.817
  422   3HB   ALA  48          2HB       ALA  48  -0.076  12.112   3.436
  423    MB   ALA  48           QB       ALA  48   0.500  12.592   4.120
  424    H    GLN  49           H        GLN  49  -2.639  14.284   2.428
  425    HA   GLN  49           HA       GLN  49  -3.254  15.074   0.394
  426   1HB   GLN  49          2HB       GLN  49  -0.542  16.409   0.425
  427   2HB   GLN  49          1HB       GLN  49  -1.823  16.790  -0.759
  428   1HG   GLN  49          2HG       GLN  49  -2.824  18.088   0.763
  429   2HG   GLN  49          1HG       GLN  49  -2.527  16.794   1.967
  430   1HE2  GLN  49          1HE2      GLN  49  -0.892  16.917   3.316
  431   2HE2  GLN  49          2HE2      GLN  49   0.298  18.136   3.421
  432    QB   GLN  49           QB       GLN  49  -1.183  16.600  -0.167
  433    QG   GLN  49           QG       GLN  49  -2.675  17.441   1.365
  434    QE   GLN  49           QE2      GLN  49  -0.297  17.526   3.369
  435    H    LEU  50           H        LEU  50  -1.822  12.739   0.956
  436    HA   LEU  50           HA       LEU  50  -0.381  11.931  -1.408
  437   1HB   LEU  50          2HB       LEU  50  -0.887  10.889   1.287
  438   2HB   LEU  50          1HB       LEU  50  -0.633   9.709   0.026
  439    HG   LEU  50           HG       LEU  50   1.475  10.616  -0.484
  440   1HD1  LEU  50          3HD1      LEU  50   1.006  12.609   1.701
  441   2HD1  LEU  50          2HD1      LEU  50   2.542  12.352   0.865
  442   3HD1  LEU  50          1HD1      LEU  50   1.138  12.949  -0.019
  443   1HD2  LEU  50          1HD2      LEU  50   1.320   8.935   1.239
  444   2HD2  LEU  50          3HD2      LEU  50   2.675  10.024   1.533
  445   3HD2  LEU  50          2HD2      LEU  50   1.185  10.200   2.461
  446    MD1  LEU  50           QD1      LEU  50   1.562  12.636   0.849
  447    MD2  LEU  50           QD2      LEU  50   1.727   9.720   1.744
  448    QB   LEU  50           QB       LEU  50  -0.760  10.299   0.656
  449    QD   LEU  50           QQD      LEU  50   1.644  11.178   1.297
  450    H    THR  51           H        THR  51  -1.125  10.681  -2.964
  451    HA   THR  51           HA       THR  51  -3.784   9.538  -2.722
  452    HB   THR  51           HB       THR  51  -3.980  10.000  -5.184
  453    HG1  THR  51          1HG       THR  51  -2.021  10.278  -6.025
  454   1HG2  THR  51          2HG2      THR  51  -4.712  11.500  -3.413
  455   2HG2  THR  51          1HG2      THR  51  -3.155  12.341  -3.529
  456   3HG2  THR  51          3HG2      THR  51  -4.286  12.381  -4.907
  457    MG   THR  51           QG2      THR  51  -4.051  12.074  -3.950
  458    H    GLY  52           H        GLY  52  -3.987   7.440  -4.126
  459   1HA   GLY  52          1HA       GLY  52  -2.292   5.725  -2.802
  460   2HA   GLY  52          2HA       GLY  52  -1.567   5.965  -4.381
  461    QA   GLY  52           QA       GLY  52  -1.930   5.845  -3.591
  462    H    ALA  53           H        ALA  53  -1.948   3.625  -4.102
  463    HA   ALA  53           HA       ALA  53  -4.484   2.489  -4.168
  464   1HB   ALA  53          3HB       ALA  53  -4.654   3.411  -6.458
  465   2HB   ALA  53          1HB       ALA  53  -4.574   1.646  -6.502
  466   3HB   ALA  53          2HB       ALA  53  -3.149   2.609  -6.891
  467    MB   ALA  53           QB       ALA  53  -4.126   2.555  -6.617
  468    H    LEU  54           H        LEU  54  -4.280   0.082  -4.600
  469    HA   LEU  54           HA       LEU  54  -1.581  -0.833  -4.744
  470   1HB   LEU  54          2HB       LEU  54  -1.412  -1.921  -2.638
  471   2HB   LEU  54          1HB       LEU  54  -1.895  -0.259  -2.393
  472    HG   LEU  54           HG       LEU  54  -4.291  -1.218  -2.003
  473   1HD1  LEU  54          1HD1      LEU  54  -3.869  -3.464  -2.864
  474   2HD1  LEU  54          3HD1      LEU  54  -2.699  -3.733  -1.574
  475   3HD1  LEU  54          2HD1      LEU  54  -4.392  -3.489  -1.179
  476   1HD2  LEU  54          1HD2      LEU  54  -2.047  -1.777  -0.082
  477   2HD2  LEU  54          3HD2      LEU  54  -2.876  -0.232  -0.283
  478   3HD2  LEU  54          2HD2      LEU  54  -3.755  -1.633   0.331
  479    MD1  LEU  54           QD1      LEU  54  -3.654  -3.562  -1.872
  480    MD2  LEU  54           QD2      LEU  54  -2.893  -1.214  -0.011
  481    QB   LEU  54           QB       LEU  54  -1.653  -1.090  -2.516
  482    QD   LEU  54           QQD      LEU  54  -3.273  -2.388  -0.942
  483    H    PHE  55           H        PHE  55  -1.392  -3.075  -4.887
  484    HA   PHE  55           HA       PHE  55  -3.833  -4.471  -5.656
  485   1HB   PHE  55          2HB       PHE  55  -1.207  -4.484  -7.183
  486   2HB   PHE  55          1HB       PHE  55  -2.609  -5.487  -7.552
  487    HD1  PHE  55          1HD       PHE  55  -1.094  -2.206  -7.884
  488    HD2  PHE  55          2HD       PHE  55  -4.677  -4.438  -8.404
  489    HE1  PHE  55          1HE       PHE  55  -1.991  -0.426  -9.316
  490    HE2  PHE  55          2HE       PHE  55  -5.579  -2.666  -9.833
  491    HZ   PHE  55           HZ       PHE  55  -4.240  -0.652 -10.294
  492    QB   PHE  55           QB       PHE  55  -1.908  -4.986  -7.367
  493    QD   PHE  55           QD       PHE  55  -2.885  -3.322  -8.144
  494    QE   PHE  55           QE       PHE  55  -3.785  -1.546  -9.574
  495    QR   PHE  55           QR       PHE  55  -3.516  -2.078  -9.146
  496    H    TYR  56           H        TYR  56  -3.980  -5.963  -4.176
  497    HA   TYR  56           HA       TYR  56  -1.580  -7.407  -3.345
  498   1HB   TYR  56          2HB       TYR  56  -2.419  -5.997  -1.425
  499   2HB   TYR  56          1HB       TYR  56  -4.011  -6.597  -1.744
  500    HD1  TYR  56          1HD       TYR  56  -1.049  -8.813  -1.639
  501    HD2  TYR  56          2HD       TYR  56  -4.502  -7.401   0.379
  502    HE1  TYR  56          1HE       TYR  56  -0.825 -10.622  -0.004
  503    HE2  TYR  56          2HE       TYR  56  -4.298  -9.215   2.025
  504    HH   TYR  56           HH       TYR  56  -1.539 -11.108   2.351
  505    QB   TYR  56           QB       TYR  56  -3.215  -6.297  -1.584
  506    QD   TYR  56           QD       TYR  56  -2.776  -8.107  -0.630
  507    QE   TYR  56           QE       TYR  56  -2.561  -9.919   1.010
  508    QR   TYR  56           QR       TYR  56  -2.668  -9.013   0.190
  509    H    SER  57           H        SER  57  -1.751  -9.627  -3.988
  510    HA   SER  57           HA       SER  57  -4.233 -10.924  -3.707
  511   1HB   SER  57          2HB       SER  57  -4.412  -9.793  -5.973
  512   2HB   SER  57          1HB       SER  57  -2.947 -10.639  -6.459
  513    HG   SER  57           HG       SER  57  -5.537 -11.576  -6.122
  514    QB   SER  57           QB       SER  57  -3.679 -10.216  -6.216
  515    H    GLN  58           H        GLN  58  -3.738 -13.030  -3.301
  516    HA   GLN  58           HA       GLN  58  -2.644 -14.966  -3.072
  517   1HB   GLN  58          2HB       GLN  58  -1.066 -13.843  -5.330
  518   2HB   GLN  58          1HB       GLN  58  -0.847 -15.476  -4.751
  519   1HG   GLN  58          2HG       GLN  58  -3.333 -14.237  -5.952
  520   2HG   GLN  58          1HG       GLN  58  -2.322 -15.489  -6.673
  521   1HE2  GLN  58          1HE2      GLN  58  -2.562 -17.600  -5.964
  522   2HE2  GLN  58          2HE2      GLN  58  -3.866 -18.125  -4.978
  523    QB   GLN  58           QB       GLN  58  -0.957 -14.659  -5.041
  524    QG   GLN  58           QG       GLN  58  -2.827 -14.863  -6.312
  525    QE   GLN  58           QE2      GLN  58  -3.214 -17.862  -5.471
  526    H    GLY  59           H        GLY  59  -1.294 -12.266  -1.983
  527   1HA   GLY  59          1HA       GLY  59   0.911 -13.825  -0.816
  528   2HA   GLY  59          2HA       GLY  59   0.012 -12.617   0.082
  529    QA   GLY  59           QA       GLY  59   0.462 -13.221  -0.367
  530    H    VAL  60           H        VAL  60   0.661 -11.679  -3.130
  531    HA   VAL  60           HA       VAL  60   3.005 -10.267  -2.165
  532    HB   VAL  60           HB       VAL  60   3.518 -11.504  -4.158
  533   1HG1  VAL  60          2HG1      VAL  60   1.296 -11.710  -5.137
  534   2HG1  VAL  60          1HG1      VAL  60   1.288  -9.989  -5.519
  535   3HG1  VAL  60          3HG1      VAL  60   2.425 -11.063  -6.330
  536   1HG2  VAL  60          2HG2      VAL  60   3.336  -8.555  -4.784
  537   2HG2  VAL  60          1HG2      VAL  60   4.663  -9.382  -3.977
  538   3HG2  VAL  60          3HG2      VAL  60   4.323  -9.716  -5.677
  539    MG1  VAL  60           QG1      VAL  60   1.670 -10.921  -5.662
  540    MG2  VAL  60           QG2      VAL  60   4.107  -9.218  -4.813
  541    QG   VAL  60           QQG      VAL  60   2.888 -10.069  -5.238
  542    H    PHE  61           H        PHE  61   3.075  -8.236  -1.883
  543    HA   PHE  61           HA       PHE  61   0.665  -6.622  -2.269
  544   1HB   PHE  61          2HB       PHE  61   2.910  -6.713  -0.426
  545   2HB   PHE  61          1HB       PHE  61   2.452  -5.097  -0.943
  546    HD1  PHE  61          1HD       PHE  61   2.194  -7.336   1.555
  547    HD2  PHE  61          2HD       PHE  61  -0.277  -4.893  -0.882
  548    HE1  PHE  61          1HE       PHE  61   0.552  -7.241   3.351
  549    HE2  PHE  61          2HE       PHE  61  -1.951  -4.794   0.917
  550    HZ   PHE  61           HZ       PHE  61  -1.504  -5.924   3.028
  551    QB   PHE  61           QB       PHE  61   2.681  -5.905  -0.684
  552    QD   PHE  61           QD       PHE  61   0.958  -6.115   0.336
  553    QE   PHE  61           QE       PHE  61  -0.699  -6.017   2.134
  554    QR   PHE  61           QR       PHE  61  -0.197  -6.038   1.594
  555    H    PHE  62           H        PHE  62   0.734  -5.367  -4.128
  556    HA   PHE  62           HA       PHE  62   3.238  -3.914  -4.406
  557   1HB   PHE  62          2HB       PHE  62   2.665  -5.116  -6.510
  558   2HB   PHE  62          1HB       PHE  62   1.100  -4.300  -6.538
  559    HD1  PHE  62          1HD       PHE  62   4.756  -3.635  -6.566
  560    HD2  PHE  62          2HD       PHE  62   0.881  -2.239  -7.612
  561    HE1  PHE  62          1HE       PHE  62   5.768  -1.752  -7.785
  562    HE2  PHE  62          2HE       PHE  62   1.879  -0.357  -8.837
  563    HZ   PHE  62           HZ       PHE  62   4.327  -0.107  -8.919
  564    QB   PHE  62           QB       PHE  62   1.883  -4.708  -6.524
  565    QD   PHE  62           QD       PHE  62   2.819  -2.937  -7.089
  566    QE   PHE  62           QE       PHE  62   3.823  -1.054  -8.311
  567    QR   PHE  62           QR       PHE  62   3.522  -1.618  -7.944
  568    H    GLN  63           H        GLN  63   3.083  -1.948  -3.609
  569    HA   GLN  63           HA       GLN  63   0.439  -0.627  -3.473
  570   1HB   GLN  63          2HB       GLN  63   1.093  -1.988  -1.379
  571   2HB   GLN  63          1HB       GLN  63   2.370  -0.822  -1.161
  572   1HG   GLN  63          2HG       GLN  63  -0.607  -0.241  -1.057
  573   2HG   GLN  63          1HG       GLN  63   0.464  -0.485   0.293
  574   1HE2  GLN  63          1HE2      GLN  63   2.618   1.195  -0.778
  575   2HE2  GLN  63          2HE2      GLN  63   2.008   2.815  -0.678
  576    QB   GLN  63           QB       GLN  63   1.731  -1.405  -1.270
  577    QG   GLN  63           QG       GLN  63  -0.071  -0.363  -0.382
  578    QE   GLN  63           QE2      GLN  63   2.313   2.005  -0.728
  579    H    TRP  64           H        TRP  64   0.732   1.532  -4.047
  580    HA   TRP  64           HA       TRP  64   3.297   2.543  -3.375
  581   1HB   TRP  64          2HB       TRP  64   3.894   3.387  -5.477
  582   2HB   TRP  64          1HB       TRP  64   3.317   1.737  -5.799
  583    HD1  TRP  64           HD       TRP  64   3.404   5.003  -7.144
  584    HE1  TRP  64          1HE       TRP  64   1.597   5.437  -8.833
  585    HE3  TRP  64          3HE       TRP  64   0.342   1.096  -6.004
  586    HZ2  TRP  64          2HZ       TRP  64  -0.871   4.287  -9.623
  587    HZ3  TRP  64          3HZ       TRP  64  -1.759   0.872  -7.255
  588    HH2  TRP  64           HH       TRP  64  -2.331   2.409  -9.045
  589    QB   TRP  64           QB       TRP  64   3.605   2.562  -5.638
  590    H    LEU  65           H        LEU  65   3.291   4.994  -3.698
  591    HA   LEU  65           HA       LEU  65   0.644   6.145  -3.410
  592   1HB   LEU  65          2HB       LEU  65   1.316   7.359  -1.377
  593   2HB   LEU  65          1HB       LEU  65   1.172   5.639  -1.133
  594    HG   LEU  65           HG       LEU  65   3.793   6.939  -1.655
  595   1HD1  LEU  65          3HD1      LEU  65   2.338   6.531   0.954
  596   2HD1  LEU  65          2HD1      LEU  65   4.064   6.921   0.860
  597   3HD1  LEU  65          1HD1      LEU  65   2.861   8.064   0.261
  598   1HD2  LEU  65          2HD2      LEU  65   3.763   4.493  -1.798
  599   2HD2  LEU  65          1HD2      LEU  65   4.702   5.013  -0.395
  600   3HD2  LEU  65          3HD2      LEU  65   3.061   4.406  -0.182
  601    MD1  LEU  65           QD1      LEU  65   3.088   7.172   0.691
  602    MD2  LEU  65           QD2      LEU  65   3.842   4.638  -0.791
  603    QB   LEU  65           QB       LEU  65   1.244   6.499  -1.255
  604    QD   LEU  65           QQD      LEU  65   3.465   5.905  -0.050
  605    H    GLU  66           H        GLU  66   0.526   8.307  -3.795
  606    HA   GLU  66           HA       GLU  66   2.821   9.563  -5.149
  607   1HB   GLU  66          2HB       GLU  66  -0.092  10.355  -5.230
  608   2HB   GLU  66          1HB       GLU  66   1.206  10.888  -6.266
  609   1HG   GLU  66          2HG       GLU  66   1.222   8.773  -7.415
  610   2HG   GLU  66          1HG       GLU  66  -0.001   8.140  -6.303
  611    QB   GLU  66           QB       GLU  66   0.557  10.621  -5.748
  612    QG   GLU  66           QG       GLU  66   0.610   8.457  -6.859
  613    H    GLY  67           H        GLY  67   3.670  11.254  -3.845
  614   1HA   GLY  67          1HA       GLY  67   2.719  12.035  -1.409
  615   2HA   GLY  67          2HA       GLY  67   1.846  13.035  -2.561
  616    QA   GLY  67           QA       GLY  67   2.282  12.535  -1.985
  617    H    HIS  68           H        HIS  68   3.257  14.701  -1.143
  618    HA   HIS  68           HA       HIS  68   5.586  15.461  -2.614
  619   1HB   HIS  68          2HB       HIS  68   4.433  17.252  -1.462
  620   2HB   HIS  68          1HB       HIS  68   4.486  16.421   0.061
  621    HD1  HIS  68          1HD       HIS  68   6.534  16.704   1.531
  622    HD2  HIS  68          2HD       HIS  68   6.621  18.406  -2.152
  623    HE1  HIS  68          1HE       HIS  68   8.639  17.980   1.603
  624    HE2  HIS  68          2HE       HIS  68   8.498  19.407  -0.517
  625    QB   HIS  68           QB       HIS  68   4.459  16.836  -0.701
  626    HA   PRO  69           HA       PRO  69   8.702  12.468  -1.517
  627   1HB   PRO  69          2HB       PRO  69  10.406  14.610  -0.544
  628   2HB   PRO  69          1HB       PRO  69  10.601  13.591  -1.967
  629   1HG   PRO  69          2HG       PRO  69   9.364  16.298  -1.810
  630   2HG   PRO  69          1HG       PRO  69   9.960  15.450  -3.222
  631   1HD   PRO  69          2HD       PRO  69   7.427  15.867  -2.829
  632   2HD   PRO  69          1HD       PRO  69   7.964  14.321  -3.522
  633    QB   PRO  69           QB       PRO  69  10.504  14.101  -1.255
  634    QG   PRO  69           QG       PRO  69   9.662  15.874  -2.516
  635    QD   PRO  69           QD       PRO  69   7.695  15.094  -3.176
  636    H    ALA  70           H        ALA  70   8.617  14.996   0.947
  637    HA   ALA  70           HA       ALA  70   9.575  13.103   2.860
  638   1HB   ALA  70          1HB       ALA  70  10.224  15.449   2.963
  639   2HB   ALA  70          2HB       ALA  70   9.474  14.822   4.457
  640   3HB   ALA  70          3HB       ALA  70   8.534  15.835   3.329
  641    MB   ALA  70           QB       ALA  70   9.411  15.369   3.583
  642    H    ALA  71           H        ALA  71   6.476  14.132   2.018
  643    HA   ALA  71           HA       ALA  71   5.187  13.264   4.363
  644   1HB   ALA  71          3HB       ALA  71   4.367  13.378   1.541
  645   2HB   ALA  71          2HB       ALA  71   3.224  13.121   2.865
  646   3HB   ALA  71          1HB       ALA  71   4.104  14.677   2.713
  647    MB   ALA  71           QB       ALA  71   3.899  13.725   2.373
  648    H    VAL  72           H        VAL  72   5.999  11.982   1.264
  649    HA   VAL  72           HA       VAL  72   4.862   9.394   1.371
  650    HB   VAL  72           HB       VAL  72   7.495   9.831   0.028
  651   1HG1  VAL  72          3HG1      VAL  72   6.328   7.757  -0.188
  652   2HG1  VAL  72          2HG1      VAL  72   4.944   8.676  -0.822
  653   3HG1  VAL  72          1HG1      VAL  72   6.470   8.624  -1.749
  654   1HG2  VAL  72          2HG2      VAL  72   4.970  11.092  -0.935
  655   2HG2  VAL  72          1HG2      VAL  72   6.474  11.894  -0.412
  656   3HG2  VAL  72          3HG2      VAL  72   6.465  10.908  -1.878
  657    MG1  VAL  72           QG1      VAL  72   5.914   8.352  -0.920
  658    MG2  VAL  72           QG2      VAL  72   5.969  11.298  -1.075
  659    QG   VAL  72           QQG      VAL  72   5.942   9.825  -0.997
  660    H    ALA  73           H        ALA  73   8.030  10.675   2.173
  661    HA   ALA  73           HA       ALA  73   9.044   8.232   3.096
  662   1HB   ALA  73          3HB       ALA  73   9.950  10.987   3.754
  663   2HB   ALA  73          2HB       ALA  73  10.769   9.396   4.063
  664   3HB   ALA  73          1HB       ALA  73  10.475   9.938   2.398
  665    MB   ALA  73           QB       ALA  73  10.398  10.107   3.405
  666    H    GLU  74           H        GLU  74   7.523  10.909   4.823
  667    HA   GLU  74           HA       GLU  74   7.794   9.961   7.469
  668   1HB   GLU  74          2HB       GLU  74   6.931  12.219   6.915
  669   2HB   GLU  74          1HB       GLU  74   5.569  11.517   6.077
  670   1HG   GLU  74          2HG       GLU  74   5.902  11.025   9.004
  671   2HG   GLU  74          1HG       GLU  74   5.317  12.591   8.451
  672    QB   GLU  74           QB       GLU  74   6.250  11.868   6.496
  673    QG   GLU  74           QG       GLU  74   5.610  11.808   8.728
  674    H    VAL  75           H        VAL  75   5.364   9.376   5.073
  675    HA   VAL  75           HA       VAL  75   4.000   7.378   6.409
  676    HB   VAL  75           HB       VAL  75   4.288   8.109   3.500
  677   1HG1  VAL  75          1HG1      VAL  75   2.543   5.904   4.598
  678   2HG1  VAL  75          3HG1      VAL  75   2.538   6.586   2.957
  679   3HG1  VAL  75          2HG1      VAL  75   3.963   5.725   3.545
  680   1HG2  VAL  75          3HG2      VAL  75   2.030   8.249   5.482
  681   2HG2  VAL  75          2HG2      VAL  75   3.006   9.596   4.897
  682   3HG2  VAL  75          1HG2      VAL  75   1.935   8.740   3.792
  683    MG1  VAL  75           QG1      VAL  75   3.015   6.072   3.700
  684    MG2  VAL  75           QG2      VAL  75   2.324   8.862   4.724
  685    QG   VAL  75           QQG      VAL  75   2.669   7.467   4.212
  686    H    MET  76           H        MET  76   6.715   7.037   3.965
  687    HA   MET  76           HA       MET  76   7.002   4.348   4.023
  688   1HB   MET  76          2HB       MET  76   9.131   6.441   3.992
  689   2HB   MET  76          1HB       MET  76   9.450   4.787   3.609
  690   1HG   MET  76          2HG       MET  76   7.425   6.339   2.113
  691   2HG   MET  76          1HG       MET  76   9.124   6.440   1.649
  692   1HE   MET  76          3HE       MET  76   5.956   4.461   1.965
  693   2HE   MET  76          2HE       MET  76   6.195   2.955   1.045
  694   3HE   MET  76          1HE       MET  76   6.919   3.155   2.656
  695    QB   MET  76           QB       MET  76   9.290   5.614   3.800
  696    QG   MET  76           QG       MET  76   8.274   6.389   1.881
  697    ME   MET  76           QE       MET  76   6.357   3.524   1.889
  698    H    SER  77           H        SER  77   8.543   6.647   6.206
  699    HA   SER  77           HA       SER  77   9.912   4.810   7.769
  700   1HB   SER  77          2HB       SER  77  10.147   7.308   7.806
  701   2HB   SER  77          1HB       SER  77   8.643   7.380   8.721
  702    HG   SER  77           HG       SER  77  10.981   7.159   9.631
  703    QB   SER  77           QB       SER  77   9.395   7.344   8.264
  704    H    HIS  78           H        HIS  78   6.603   6.026   8.164
  705    HA   HIS  78           HA       HIS  78   6.131   4.490  10.482
  706   1HB   HIS  78          2HB       HIS  78   4.230   5.884   8.618
  707   2HB   HIS  78          1HB       HIS  78   3.649   4.936   9.985
  708    HD1  HIS  78          1HD       HIS  78   4.243   8.383   9.254
  709    HD2  HIS  78          2HD       HIS  78   5.348   5.885  12.417
  710    HE1  HIS  78          1HE       HIS  78   4.707   9.853  11.137
  711    HE2  HIS  78          2HE       HIS  78   5.596   8.382  12.952
  712    QB   HIS  78           QB       HIS  78   3.939   5.410   9.302
  713    H    ILE  79           H        ILE  79   5.892   3.628   7.142
  714    HA   ILE  79           HA       ILE  79   4.437   1.172   7.784
  715    HB   ILE  79           HB       ILE  79   5.651   1.665   5.070
  716   1HG1  ILE  79          2HG1      ILE  79   3.015   2.786   6.065
  717   2HG1  ILE  79          1HG1      ILE  79   4.475   3.651   5.570
  718   1HG2  ILE  79          2HG2      ILE  79   4.668  -0.497   5.635
  719   2HG2  ILE  79          1HG2      ILE  79   3.145   0.291   6.024
  720   3HG2  ILE  79          3HG2      ILE  79   3.745   0.322   4.365
  721   1HD1  ILE  79          2HD1      ILE  79   2.852   1.917   3.731
  722   2HD1  ILE  79          1HD1      ILE  79   2.726   3.673   3.822
  723   3HD1  ILE  79          3HD1      ILE  79   4.235   2.919   3.297
  724    MG   ILE  79           QG2      ILE  79   3.853   0.039   5.341
  725    MD   ILE  79           QD1      ILE  79   3.271   2.836   3.617
  726    QG   ILE  79           QG1      ILE  79   3.745   3.218   5.818
  727    H    GLN  80           H        GLN  80   7.723   2.197   6.934
  728    HA   GLN  80           HA       GLN  80   8.636  -0.350   6.195
  729   1HB   GLN  80          2HB       GLN  80  10.241   2.106   6.871
  730   2HB   GLN  80          1HB       GLN  80  10.946   0.608   6.277
  731   1HG   GLN  80          2HG       GLN  80   9.086   2.483   4.801
  732   2HG   GLN  80          1HG       GLN  80  10.708   1.997   4.337
  733   1HE2  GLN  80          1HE2      GLN  80   7.440   1.288   4.403
  734   2HE2  GLN  80          2HE2      GLN  80   7.516  -0.104   3.363
  735    QB   GLN  80           QB       GLN  80  10.593   1.357   6.574
  736    QG   GLN  80           QG       GLN  80   9.897   2.240   4.569
  737    QE   GLN  80           QE2      GLN  80   7.478   0.592   3.883
  738    H    ARG  81           H        ARG  81   8.231   0.898   9.299
  739    HA   ARG  81           HA       ARG  81  10.042  -0.795  10.617
  740   1HB   ARG  81          2HB       ARG  81   7.517   0.576  11.398
  741   2HB   ARG  81          1HB       ARG  81   8.025  -0.742  12.423
  742   1HG   ARG  81          2HG       ARG  81   8.735   1.428  13.279
  743   2HG   ARG  81          1HG       ARG  81  10.094   0.368  12.932
  744   1HD   ARG  81          2HD       ARG  81   9.108   2.378  10.996
  745   2HD   ARG  81          1HD       ARG  81  10.265   2.854  12.257
  746    HE   ARG  81           HE       ARG  81  11.299   0.627  10.975
  747   1HH1  ARG  81          1HH1      ARG  81  10.600   3.975  10.076
  748   2HH1  ARG  81          2HH1      ARG  81  11.722   4.001   8.790
  749   1HH2  ARG  81          1HH2      ARG  81  12.799   0.664   9.186
  750   2HH2  ARG  81          2HH2      ARG  81  12.989   2.084   8.278
  751    QB   ARG  81           QB       ARG  81   7.771  -0.083  11.911
  752    QG   ARG  81           QG       ARG  81   9.415   0.898  13.105
  753    QD   ARG  81           QD       ARG  81   9.686   2.616  11.626
  754    QH1  ARG  81           QH1      ARG  81  11.161   3.988   9.433
  755    QH2  ARG  81           QH2      ARG  81  12.894   1.374   8.732
  756    H    ASP  82           H        ASP  82   7.090  -1.374   9.035
  757    HA   ASP  82           HA       ASP  82   5.810  -3.025   8.620
  758   1HB   ASP  82          2HB       ASP  82   6.956  -3.819   7.084
  759   2HB   ASP  82          1HB       ASP  82   8.448  -4.163   7.915
  760    QB   ASP  82           QB       ASP  82   7.702  -3.991   7.499
  761    H    ARG  83           H        ARG  83   4.710  -4.821   8.855
  762    HA   ARG  83           HA       ARG  83   4.453  -6.205  11.233
  763   1HB   ARG  83          2HB       ARG  83   2.596  -4.658  12.252
  764   2HB   ARG  83          1HB       ARG  83   4.290  -4.303  12.575
  765   1HG   ARG  83          2HG       ARG  83   4.221  -2.726  10.626
  766   2HG   ARG  83          1HG       ARG  83   2.490  -2.961  10.577
  767   1HD   ARG  83          2HD       ARG  83   2.212  -2.074  12.781
  768   2HD   ARG  83          1HD       ARG  83   3.962  -2.004  13.026
  769    HE   ARG  83           HE       ARG  83   3.572  -0.492  10.830
  770   1HH1  ARG  83          1HH1      ARG  83   2.184  -0.396  14.087
  771   2HH1  ARG  83          2HH1      ARG  83   1.877   1.276  14.027
  772   1HH2  ARG  83          1HH2      ARG  83   3.250   1.782  10.798
  773   2HH2  ARG  83          2HH2      ARG  83   2.483   2.522  12.109
  774    QB   ARG  83           QB       ARG  83   3.443  -4.481  12.414
  775    QG   ARG  83           QG       ARG  83   3.355  -2.844  10.601
  776    QD   ARG  83           QD       ARG  83   3.087  -2.039  12.903
  777    QH1  ARG  83           QH1      ARG  83   2.031   0.440  14.057
  778    QH2  ARG  83           QH2      ARG  83   2.867   2.152  11.454
  779    H    ARG  84           H        ARG  84   2.556  -4.225   8.951
  780    HA   ARG  84           HA       ARG  84   0.485  -6.286   8.864
  781   1HB   ARG  84          2HB       ARG  84   0.582  -3.493   7.720
  782   2HB   ARG  84          1HB       ARG  84  -0.634  -4.674   7.283
  783   1HG   ARG  84          2HG       ARG  84  -1.569  -3.110   8.862
  784   2HG   ARG  84          1HG       ARG  84  -1.413  -4.672   9.643
  785   1HD   ARG  84          2HD       ARG  84   0.459  -3.928  10.893
  786   2HD   ARG  84          1HD       ARG  84   0.557  -2.440   9.947
  787    HE   ARG  84           HE       ARG  84  -1.665  -1.873  10.913
  788   1HH1  ARG  84          1HH1      ARG  84   0.208  -4.280  12.689
  789   2HH1  ARG  84          2HH1      ARG  84  -0.216  -3.682  14.218
  790   1HH2  ARG  84          1HH2      ARG  84  -2.316  -1.132  12.903
  791   2HH2  ARG  84          2HH2      ARG  84  -1.754  -1.804  14.380
  792    QB   ARG  84           QB       ARG  84  -0.026  -4.084   7.501
  793    QG   ARG  84           QG       ARG  84  -1.491  -3.891   9.252
  794    QD   ARG  84           QD       ARG  84   0.508  -3.184  10.420
  795    QH1  ARG  84           QH1      ARG  84  -0.004  -3.981  13.453
  796    QH2  ARG  84           QH2      ARG  84  -2.035  -1.468  13.641
  797    H    HIS  85           H        HIS  85   3.268  -6.653   7.483
  798    HA   HIS  85           HA       HIS  85   2.325  -7.825   5.204
  799   1HB   HIS  85          2HB       HIS  85   3.592  -6.461   3.457
  800   2HB   HIS  85          1HB       HIS  85   2.144  -5.736   4.089
  801    HD1  HIS  85          1HD       HIS  85   3.036  -3.468   3.175
  802    HD2  HIS  85          2HD       HIS  85   5.425  -5.016   6.221
  803    HE1  HIS  85          1HE       HIS  85   4.563  -1.656   3.967
  804    HE2  HIS  85          2HE       HIS  85   5.544  -2.584   6.052
  805    QB   HIS  85           QB       HIS  85   2.868  -6.098   3.773
  806    H    SER  86           H        SER  86   4.738  -7.804   3.716
  807    HA   SER  86           HA       SER  86   6.557  -8.775   5.678
  808   1HB   SER  86          2HB       SER  86   5.241  -9.911   3.576
  809   2HB   SER  86          1HB       SER  86   6.795 -10.760   3.927
  810    HG   SER  86           HG       SER  86   5.490 -10.378   6.171
  811    QB   SER  86           QB       SER  86   6.018 -10.336   3.752
  812    H    ASN  87           H        ASN  87   8.471  -7.934   5.318
  813    HA   ASN  87           HA       ASN  87  10.400  -7.237   4.479
  814   1HB   ASN  87          2HB       ASN  87   9.516  -8.606   1.962
  815   2HB   ASN  87          1HB       ASN  87  11.016  -7.693   2.009
  816   1HD2  ASN  87          1HD2      ASN  87   9.368 -10.579   3.034
  817   2HD2  ASN  87          2HD2      ASN  87  10.749 -11.369   3.677
  818    QB   ASN  87           QB       ASN  87  10.266  -8.150   1.985
  819    QD   ASN  87           QD2      ASN  87  10.059 -10.974   3.356
  820    H    VAL  88           H        VAL  88   7.869  -6.171   2.810
  821    HA   VAL  88           HA       VAL  88   7.709  -4.568   1.220
  822    HB   VAL  88           HB       VAL  88   6.586  -3.908   3.132
  823   1HG1  VAL  88          1HG1      VAL  88   8.210  -3.845   4.749
  824   2HG1  VAL  88          3HG1      VAL  88   8.962  -2.369   4.015
  825   3HG1  VAL  88          2HG1      VAL  88   7.293  -2.292   4.617
  826   1HG2  VAL  88          3HG2      VAL  88   6.586  -2.419   1.199
  827   2HG2  VAL  88          2HG2      VAL  88   6.302  -1.556   2.705
  828   3HG2  VAL  88          1HG2      VAL  88   7.894  -1.501   1.925
  829    MG1  VAL  88           QG1      VAL  88   8.155  -2.835   4.460
  830    MG2  VAL  88           QG2      VAL  88   6.927  -1.825   1.943
  831    QG   VAL  88           QQG      VAL  88   7.541  -2.330   3.202
  832    H    GLU  89           H        GLU  89   9.102  -4.609  -0.295
  833    HA   GLU  89           HA       GLU  89  11.489  -3.007  -0.004
  834   1HB   GLU  89          2HB       GLU  89  10.553  -5.086  -1.873
  835   2HB   GLU  89          1HB       GLU  89  11.999  -4.174  -2.233
  836   1HG   GLU  89          2HG       GLU  89  13.078  -4.964  -0.309
  837   2HG   GLU  89          1HG       GLU  89  11.570  -5.641   0.295
  838    QB   GLU  89           QB       GLU  89  11.276  -4.630  -2.053
  839    QG   GLU  89           QG       GLU  89  12.324  -5.303  -0.007
  840    H    ILE  90           H        ILE  90  10.352  -1.093  -0.105
  841    HA   ILE  90           HA       ILE  90   8.925   0.107  -2.166
  842    HB   ILE  90           HB       ILE  90  11.416   1.461  -1.198
  843   1HG1  ILE  90          2HG1      ILE  90  10.614   0.435   0.826
  844   2HG1  ILE  90          1HG1      ILE  90  10.316   2.158   0.882
  845   1HG2  ILE  90          1HG2      ILE  90   8.596   2.420  -1.636
  846   2HG2  ILE  90          3HG2      ILE  90   9.866   3.417  -0.986
  847   3HG2  ILE  90          2HG2      ILE  90  10.002   2.834  -2.643
  848   1HD1  ILE  90          1HD1      ILE  90   8.011   1.778   0.255
  849   2HD1  ILE  90          3HD1      ILE  90   8.324   0.042   0.223
  850   3HD1  ILE  90          2HD1      ILE  90   8.448   0.935   1.751
  851    MG   ILE  90           QG2      ILE  90   9.488   2.890  -1.755
  852    MD   ILE  90           QD1      ILE  90   8.261   0.918   0.743
  853    QG   ILE  90           QG1      ILE  90  10.465   1.297   0.854
  854    H    LEU  91           H        LEU  91  12.262   0.363  -2.094
  855    HA   LEU  91           HA       LEU  91  13.944   0.255  -3.582
  856   1HB   LEU  91          2HB       LEU  91  12.139  -1.695  -4.982
  857   2HB   LEU  91          1HB       LEU  91  13.815  -1.415  -5.411
  858    HG   LEU  91           HG       LEU  91  12.854  -2.555  -2.760
  859   1HD1  LEU  91          2HD1      LEU  91  12.603  -4.079  -4.644
  860   2HD1  LEU  91          1HD1      LEU  91  14.297  -3.811  -5.069
  861   3HD1  LEU  91          3HD1      LEU  91  13.890  -4.587  -3.540
  862   1HD2  LEU  91          2HD2      LEU  91  15.629  -2.069  -3.839
  863   2HD2  LEU  91          1HD2      LEU  91  14.875  -1.233  -2.484
  864   3HD2  LEU  91          3HD2      LEU  91  15.237  -2.957  -2.367
  865    MD1  LEU  91           QD1      LEU  91  13.597  -4.159  -4.418
  866    MD2  LEU  91           QD2      LEU  91  15.247  -2.086  -2.897
  867    QB   LEU  91           QB       LEU  91  12.977  -1.555  -5.196
  868    QD   LEU  91           QQD      LEU  91  14.422  -3.123  -3.657
  869    H    ALA  92           H        ALA  92  10.898   1.172  -4.763
  870    HA   ALA  92           HA       ALA  92  12.262   2.667  -6.914
  871   1HB   ALA  92          3HB       ALA  92  10.850   0.978  -7.901
  872   2HB   ALA  92          1HB       ALA  92  10.133   2.573  -8.154
  873   3HB   ALA  92          2HB       ALA  92   9.493   1.507  -6.902
  874    MB   ALA  92           QB       ALA  92  10.159   1.686  -7.652
  875    H    GLU  93           H        GLU  93  12.375   4.699  -6.261
  876    HA   GLU  93           HA       GLU  93   9.897   5.921  -5.342
  877   1HB   GLU  93          2HB       GLU  93  12.668   6.670  -4.287
  878   2HB   GLU  93          1HB       GLU  93  11.089   7.271  -3.781
  879   1HG   GLU  93          2HG       GLU  93  10.461   5.315  -2.844
  880   2HG   GLU  93          1HG       GLU  93  11.909   4.459  -3.415
  881    QB   GLU  93           QB       GLU  93  11.878   6.971  -4.034
  882    QG   GLU  93           QG       GLU  93  11.185   4.887  -3.130
  883    H    GLU  94           H        GLU  94   9.354   7.163  -6.942
  884    HA   GLU  94           HA       GLU  94  11.481   8.449  -8.487
  885   1HB   GLU  94          2HB       GLU  94   9.913   8.318 -10.437
  886   2HB   GLU  94          1HB       GLU  94  10.514   6.767  -9.878
  887   1HG   GLU  94          2HG       GLU  94   8.435   6.301  -8.781
  888   2HG   GLU  94          1HG       GLU  94   7.808   7.905  -9.192
  889    QB   GLU  94           QB       GLU  94  10.213   7.543 -10.158
  890    QG   GLU  94           QG       GLU  94   8.121   7.103  -8.987
  891    H    SER  95           H        SER  95  11.136  10.551  -9.130
  892    HA   SER  95           HA       SER  95   9.284  11.959  -7.483
  893   1HB   SER  95          2HB       SER  95  11.510  12.857  -7.875
  894   2HB   SER  95          1HB       SER  95  11.181  12.987  -9.604
  895    HG   SER  95           HG       SER  95   9.325  14.204  -7.936
  896    QB   SER  95           QB       SER  95  11.346  12.922  -8.740
  897    H    ILE  96           H        ILE  96   7.333  12.425  -8.030
  898    HA   ILE  96           HA       ILE  96   6.535  12.180 -10.871
  899    HB   ILE  96           HB       ILE  96   4.353  11.685 -10.117
  900   1HG1  ILE  96          2HG1      ILE  96   5.543  10.957  -7.457
  901   2HG1  ILE  96          1HG1      ILE  96   4.843  12.537  -7.753
  902   1HG2  ILE  96          2HG2      ILE  96   5.832   9.955 -10.956
  903   2HG2  ILE  96          1HG2      ILE  96   6.514   9.717  -9.347
  904   3HG2  ILE  96          3HG2      ILE  96   4.830   9.275  -9.673
  905   1HD1  ILE  96          1HD1      ILE  96   3.291  10.021  -8.195
  906   2HD1  ILE  96          3HD1      ILE  96   3.451  10.816  -6.631
  907   3HD1  ILE  96          2HD1      ILE  96   2.739  11.708  -7.946
  908    MG   ILE  96           QG2      ILE  96   5.725   9.649  -9.992
  909    MD   ILE  96           QD1      ILE  96   3.160  10.848  -7.591
  910    QG   ILE  96           QG1      ILE  96   5.193  11.747  -7.605
  911    H    ALA  97           H        ALA  97   4.431  13.190 -11.356
  912    HA   ALA  97           HA       ALA  97   4.347  15.847 -10.174
  913   1HB   ALA  97          1HB       ALA  97   4.669  15.809 -12.585
  914   2HB   ALA  97          2HB       ALA  97   3.033  16.437 -12.124
  915   3HB   ALA  97          3HB       ALA  97   3.221  14.777 -12.680
  916    MB   ALA  97           QB       ALA  97   3.641  15.674 -12.463
  917    H    LYS  98           H        LYS  98   3.198  13.134  -9.845
  918    HA   LYS  98           HA       LYS  98   1.339  12.052  -9.016
  919   1HB   LYS  98          2HB       LYS  98   2.124  13.847  -7.529
  920   2HB   LYS  98          1HB       LYS  98   0.787  14.788  -8.137
  921   1HG   LYS  98          2HG       LYS  98  -0.055  12.226  -7.291
  922   2HG   LYS  98          1HG       LYS  98   0.992  13.017  -6.142
  923   1HD   LYS  98          2HD       LYS  98  -0.805  14.942  -7.038
  924   2HD   LYS  98          1HD       LYS  98  -1.718  13.543  -6.385
  925   1HE   LYS  98          2HE       LYS  98  -0.180  13.538  -4.596
  926   2HE   LYS  98          1HE       LYS  98   0.516  15.051  -5.213
  927   1HZ   LYS  98          2HZ       LYS  98  -2.383  14.814  -4.451
  928   2HZ   LYS  98          1HZ       LYS  98  -1.241  15.428  -3.384
  929   3HZ   LYS  98          3HZ       LYS  98  -1.555  16.215  -4.832
  930    QB   LYS  98           QB       LYS  98   1.456  14.317  -7.833
  931    QD   LYS  98           QD       LYS  98  -1.261  14.242  -6.711
  932    QG   LYS  98           QG       LYS  98   0.468  12.622  -6.717
  933    QE   LYS  98           QE       LYS  98   0.168  14.294  -4.905
  934    QZ   LYS  98           QZ       LYS  98  -1.726  15.485  -4.222
  935    H    ARG  99           H        ARG  99  -1.134  12.885  -8.641
  936    HA   ARG  99           HA       ARG  99  -3.186  13.562  -9.551
  937   1HB   ARG  99          2HB       ARG  99  -1.516  14.434 -11.934
  938   2HB   ARG  99          1HB       ARG  99  -3.231  14.795 -11.724
  939   1HG   ARG  99          2HG       ARG  99  -2.803  16.412 -10.144
  940   2HG   ARG  99          1HG       ARG  99  -1.280  15.666  -9.642
  941   1HD   ARG  99          2HD       ARG  99  -0.785  17.693 -10.849
  942   2HD   ARG  99          1HD       ARG  99  -0.301  16.308 -11.814
  943    HE   ARG  99           HE       ARG  99  -2.839  17.698 -12.268
  944   1HH1  ARG  99          1HH1      ARG  99   0.152  16.286 -13.585
  945   2HH1  ARG  99          2HH1      ARG  99  -0.125  16.872 -15.164
  946   1HH2  ARG  99          1HH2      ARG  99  -3.147  18.535 -14.427
  947   2HH2  ARG  99          2HH2      ARG  99  -2.027  18.180 -15.641
  948    QB   ARG  99           QB       ARG  99  -2.374  14.614 -11.829
  949    QG   ARG  99           QG       ARG  99  -2.042  16.039  -9.893
  950    QD   ARG  99           QD       ARG  99  -0.543  17.001 -11.331
  951    QH1  ARG  99           QH1      ARG  99   0.013  16.579 -14.374
  952    QH2  ARG  99           QH2      ARG  99  -2.587  18.358 -15.034
  953    H    ARG 100           H        ARG 100  -1.807  11.018  -9.746
  954    HA   ARG 100           HA       ARG 100  -2.762   9.980 -12.270
  955   1HB   ARG 100          2HB       ARG 100  -1.199   8.680 -10.042
  956   2HB   ARG 100          1HB       ARG 100  -1.517   7.974 -11.624
  957   1HG   ARG 100          2HG       ARG 100  -0.120   9.471 -12.730
  958   2HG   ARG 100          1HG       ARG 100  -0.169  10.629 -11.404
  959   1HD   ARG 100          2HD       ARG 100   1.987   9.602 -11.465
  960   2HD   ARG 100          1HD       ARG 100   1.124   9.052 -10.034
  961    HE   ARG 100           HE       ARG 100   0.891   7.310 -12.297
  962   1HH1  ARG 100          1HH1      ARG 100   2.697   8.088  -9.346
  963   2HH1  ARG 100          2HH1      ARG 100   3.613   6.650  -9.354
  964   1HH2  ARG 100          1HH2      ARG 100   2.105   5.275 -12.232
  965   2HH2  ARG 100          2HH2      ARG 100   3.287   5.064 -11.021
  966    QB   ARG 100           QB       ARG 100  -1.358   8.327 -10.833
  967    QG   ARG 100           QG       ARG 100  -0.145  10.050 -12.067
  968    QD   ARG 100           QD       ARG 100   1.555   9.327 -10.750
  969    QH1  ARG 100           QH1      ARG 100   3.155   7.369  -9.350
  970    QH2  ARG 100           QH2      ARG 100   2.696   5.169 -11.626
  971    H    PHE 101           H        PHE 101  -3.219   9.272  -8.739
  972    HA   PHE 101           HA       PHE 101  -5.699   8.016  -9.629
  973   1HB   PHE 101          2HB       PHE 101  -3.876   7.140  -7.441
  974   2HB   PHE 101          1HB       PHE 101  -5.587   6.723  -7.356
  975    HD1  PHE 101          1HD       PHE 101  -6.340   4.826  -8.406
  976    HD2  PHE 101          2HD       PHE 101  -2.686   6.572  -9.683
  977    HE1  PHE 101          1HE       PHE 101  -5.987   2.940  -9.942
  978    HE2  PHE 101          2HE       PHE 101  -2.320   4.698 -11.213
  979    HZ   PHE 101           HZ       PHE 101  -3.963   2.873 -11.351
  980    QB   PHE 101           QB       PHE 101  -4.732   6.932  -7.398
  981    QD   PHE 101           QD       PHE 101  -4.513   5.699  -9.045
  982    QE   PHE 101           QE       PHE 101  -4.153   3.819 -10.577
  983    QR   PHE 101           QR       PHE 101  -4.259   4.382 -10.119
  984    H    ALA 102           H        ALA 102  -4.630  10.449  -7.962
  985    HA   ALA 102           HA       ALA 102  -5.564  12.195  -6.788
  986   1HB   ALA 102          1HB       ALA 102  -7.113  12.198  -8.734
  987   2HB   ALA 102          2HB       ALA 102  -7.817  12.872  -7.267
  988   3HB   ALA 102          3HB       ALA 102  -8.243  11.238  -7.782
  989    MB   ALA 102           QB       ALA 102  -7.724  12.103  -7.928
  990    H    GLY 103           H        GLY 103  -6.588   9.152  -5.868
  991   1HA   GLY 103          1HA       GLY 103  -8.019   9.214  -3.615
  992   2HA   GLY 103          2HA       GLY 103  -6.560  10.069  -3.109
  993    QA   GLY 103           QA       GLY 103  -7.289   9.641  -3.362
  994    H    TRP 104           H        TRP 104  -6.310   8.112  -1.646
  995    HA   TRP 104           HA       TRP 104  -4.804   6.106  -3.071
  996   1HB   TRP 104          2HB       TRP 104  -3.742   6.845  -1.023
  997   2HB   TRP 104          1HB       TRP 104  -5.223   6.638  -0.118
  998    HD1  TRP 104           HD       TRP 104  -2.111   4.721  -1.166
  999    HE1  TRP 104          1HE       TRP 104  -2.200   2.395  -0.134
 1000    HE3  TRP 104          3HE       TRP 104  -6.914   4.811   0.598
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.163   0.800   1.288
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.785   3.100   1.668
 1003    HH2  TRP 104           HH       TRP 104  -6.558   1.065   2.079
 1004    QB   TRP 104           QB       TRP 104  -4.482   6.742  -0.571
 1005    H    HIS 105           H        HIS 105  -5.365   3.958  -3.332
 1006    HA   HIS 105           HA       HIS 105  -8.189   3.424  -2.744
 1007   1HB   HIS 105          2HB       HIS 105  -6.477   2.845  -5.108
 1008   2HB   HIS 105          1HB       HIS 105  -8.022   2.013  -4.860
 1009    HD1  HIS 105          1HD       HIS 105  -6.471   5.250  -5.880
 1010    HD2  HIS 105          2HD       HIS 105 -10.273   3.685  -5.285
 1011    HE1  HIS 105          1HE       HIS 105  -8.057   6.873  -6.972
 1012    HE2  HIS 105          2HE       HIS 105 -10.334   5.824  -6.697
 1013    QB   HIS 105           QB       HIS 105  -7.250   2.429  -4.984
 1014    H    MET 106           H        MET 106  -8.680   1.397  -2.063
 1015    HA   MET 106           HA       MET 106  -6.400  -0.305  -1.396
 1016   1HB   MET 106          2HB       MET 106  -7.839   0.338   0.527
 1017   2HB   MET 106          1HB       MET 106  -9.233  -0.345  -0.293
 1018   1HG   MET 106          2HG       MET 106  -8.242  -1.791   1.503
 1019   2HG   MET 106          1HG       MET 106  -8.383  -2.561  -0.080
 1020   1HE   MET 106          3HE       MET 106  -6.629  -4.449   0.728
 1021   2HE   MET 106          2HE       MET 106  -4.985  -4.101   1.224
 1022   3HE   MET 106          1HE       MET 106  -6.353  -3.689   2.302
 1023    QB   MET 106           QB       MET 106  -8.536  -0.003   0.117
 1024    QG   MET 106           QG       MET 106  -8.312  -2.176   0.712
 1025    ME   MET 106           QE       MET 106  -5.989  -4.079   1.418
 1026    H    GLN 107           H        GLN 107  -6.368  -2.389  -2.163
 1027    HA   GLN 107           HA       GLN 107  -8.026  -2.808  -4.478
 1028   1HB   GLN 107          2HB       GLN 107  -5.643  -3.544  -4.402
 1029   2HB   GLN 107          1HB       GLN 107  -6.080  -4.774  -3.232
 1030   1HG   GLN 107          2HG       GLN 107  -5.943  -5.790  -5.392
 1031   2HG   GLN 107          1HG       GLN 107  -7.644  -5.725  -4.925
 1032   1HE2  GLN 107          1HE2      GLN 107  -6.524  -5.942  -7.571
 1033   2HE2  GLN 107          2HE2      GLN 107  -7.100  -4.565  -8.456
 1034    QB   GLN 107           QB       GLN 107  -5.862  -4.159  -3.817
 1035    QG   GLN 107           QG       GLN 107  -6.793  -5.758  -5.159
 1036    QE   GLN 107           QE2      GLN 107  -6.812  -5.253  -8.014
 1037    H    LEU 108           H        LEU 108  -7.711  -4.191  -1.293
 1038    HA   LEU 108           HA       LEU 108 -10.101  -5.775  -1.779
 1039   1HB   LEU 108          2HB       LEU 108  -8.236  -5.837   0.611
 1040   2HB   LEU 108          1HB       LEU 108  -9.648  -6.839   0.418
 1041    HG   LEU 108           HG       LEU 108  -7.769  -8.195  -0.011
 1042   1HD1  LEU 108          1HD1      LEU 108  -8.994  -7.446  -2.635
 1043   2HD1  LEU 108          3HD1      LEU 108  -8.050  -8.897  -2.317
 1044   3HD1  LEU 108          2HD1      LEU 108  -9.581  -8.643  -1.477
 1045   1HD2  LEU 108          2HD2      LEU 108  -6.118  -6.430  -0.436
 1046   2HD2  LEU 108          1HD2      LEU 108  -6.046  -7.705  -1.664
 1047   3HD2  LEU 108          3HD2      LEU 108  -6.835  -6.173  -2.025
 1048    MD1  LEU 108           QD1      LEU 108  -8.875  -8.329  -2.143
 1049    MD2  LEU 108           QD2      LEU 108  -6.333  -6.769  -1.375
 1050    QB   LEU 108           QB       LEU 108  -8.942  -6.338   0.515
 1051    QD   LEU 108           QQD      LEU 108  -7.604  -7.549  -1.759
 1052    H    SER 109           H        SER 109 -11.166  -3.613  -1.914
 1053    HA   SER 109           HA       SER 109 -11.657  -2.231   0.508
 1054   1HB   SER 109          2HB       SER 109 -13.332  -2.301  -2.002
 1055   2HB   SER 109          1HB       SER 109 -13.241  -1.002  -0.804
 1056    HG   SER 109           HG       SER 109 -11.537  -0.281  -1.715
 1057    QB   SER 109           QB       SER 109 -13.286  -1.651  -1.403
 1058    H    CYS 110           H        CYS 110 -13.453  -4.525  -1.465
 1059    HA   CYS 110           HA       CYS 110 -15.161  -5.225   0.826
 1060   1HB   CYS 110          2HB       CYS 110 -16.733  -5.983  -0.951
 1061   2HB   CYS 110          1HB       CYS 110 -16.396  -4.255  -1.024
 1062    HG   CYS 110           HG       CYS 110 -15.413  -6.716  -3.119
 1063    QB   CYS 110           QB       CYS 110 -16.564  -5.119  -0.987
 1064    H    SER 111           H        SER 111 -12.608  -6.129  -1.021
 1065    HA   SER 111           HA       SER 111 -11.582  -7.917  -1.842
 1066   1HB   SER 111          2HB       SER 111 -11.450  -9.960  -0.374
 1067   2HB   SER 111          1HB       SER 111 -11.116  -8.456   0.465
 1068    HG   SER 111           HG       SER 111 -13.599  -8.715   0.869
 1069    QB   SER 111           QB       SER 111 -11.283  -9.208   0.045
 1070    H    GLU 112           H        GLU 112 -11.872 -10.516  -2.298
 1071    HA   GLU 112           HA       GLU 112 -14.422 -10.648  -3.767
 1072   1HB   GLU 112          2HB       GLU 112 -11.773 -11.889  -4.515
 1073   2HB   GLU 112          1HB       GLU 112 -13.260 -11.895  -5.454
 1074   1HG   GLU 112          2HG       GLU 112 -13.161  -9.555  -5.807
 1075   2HG   GLU 112          1HG       GLU 112 -11.832  -9.373  -4.675
 1076    QB   GLU 112           QB       GLU 112 -12.516 -11.892  -4.985
 1077    QG   GLU 112           QG       GLU 112 -12.496  -9.464  -5.241
 1078    H    ALA 113           H        ALA 113 -13.660 -11.572  -1.043
 1079    HA   ALA 113           HA       ALA 113 -13.388 -14.413  -1.151
 1080   1HB   ALA 113          1HB       ALA 113 -14.179 -12.638   1.161
 1081   2HB   ALA 113          3HB       ALA 113 -13.702 -14.330   1.278
 1082   3HB   ALA 113          2HB       ALA 113 -12.530 -13.119   0.756
 1083    MB   ALA 113           QB       ALA 113 -13.470 -13.362   1.065
 1084    H    ASP 114           H        ASP 114 -15.900 -12.174  -0.744
 1085    HA   ASP 114           HA       ASP 114 -17.980 -14.091  -0.262
 1086   1HB   ASP 114          2HB       ASP 114 -18.292 -11.845   0.574
 1087   2HB   ASP 114          1HB       ASP 114 -18.154 -11.178  -1.050
 1088    QB   ASP 114           QB       ASP 114 -18.223 -11.512  -0.238
 1089    H    MET 115           H        MET 115 -16.483 -12.791  -3.041
 1090    HA   MET 115           HA       MET 115 -18.506 -13.652  -4.930
 1091   1HB   MET 115          2HB       MET 115 -15.577 -13.009  -5.310
 1092   2HB   MET 115          1HB       MET 115 -16.704 -13.335  -6.604
 1093   1HG   MET 115          2HG       MET 115 -17.985 -11.362  -6.038
 1094   2HG   MET 115          1HG       MET 115 -16.910 -11.038  -4.679
 1095   1HE   MET 115          3HE       MET 115 -17.171 -11.332  -8.591
 1096   2HE   MET 115          2HE       MET 115 -15.553 -10.856  -9.110
 1097   3HE   MET 115          1HE       MET 115 -15.793 -12.376  -8.250
 1098    QB   MET 115           QB       MET 115 -16.141 -13.172  -5.957
 1099    QG   MET 115           QG       MET 115 -17.448 -11.200  -5.358
 1100    ME   MET 115           QE       MET 115 -16.172 -11.521  -8.651
 1101    H    ARG 116           H        ARG 116 -16.059 -14.982  -3.071
 1102    HA   ARG 116           HA       ARG 116 -14.781 -16.682  -3.038
 1103   1HB   ARG 116          2HB       ARG 116 -15.895 -18.985  -3.189
 1104   2HB   ARG 116          1HB       ARG 116 -16.468 -17.850  -2.000
 1105   1HG   ARG 116          2HG       ARG 116 -17.919 -18.120  -4.588
 1106   2HG   ARG 116          1HG       ARG 116 -18.125 -19.342  -3.332
 1107   1HD   ARG 116          2HD       ARG 116 -18.663 -17.482  -1.744
 1108   2HD   ARG 116          1HD       ARG 116 -18.686 -16.383  -3.118
 1109    HE   ARG 116           HE       ARG 116 -20.347 -18.561  -3.663
 1110   1HH1  ARG 116          1HH1      ARG 116 -20.334 -15.614  -1.702
 1111   2HH1  ARG 116          2HH1      ARG 116 -22.010 -15.610  -1.437
 1112   1HH2  ARG 116          1HH2      ARG 116 -22.640 -18.561  -3.292
 1113   2HH2  ARG 116          2HH2      ARG 116 -23.361 -17.320  -2.378
 1114    QB   ARG 116           QB       ARG 116 -16.181 -18.417  -2.595
 1115    QG   ARG 116           QG       ARG 116 -18.022 -18.731  -3.960
 1116    QD   ARG 116           QD       ARG 116 -18.675 -16.932  -2.431
 1117    QH1  ARG 116           QH1      ARG 116 -21.172 -15.612  -1.569
 1118    QH2  ARG 116           QH2      ARG 116 -23.001 -17.941  -2.835
 1119    H    SER 117           H        SER 117 -14.660 -15.406  -5.508
 1120    HA   SER 117           HA       SER 117 -14.104 -17.340  -7.514
 1121   1HB   SER 117          2HB       SER 117 -13.139 -14.489  -7.269
 1122   2HB   SER 117          1HB       SER 117 -13.282 -15.447  -8.744
 1123    HG   SER 117           HG       SER 117 -15.555 -15.616  -8.204
 1124    QB   SER 117           QB       SER 117 -13.211 -14.968  -8.007
 1125    H    LEU 118           H        LEU 118 -12.601 -16.404  -4.729
 1126    HA   LEU 118           HA       LEU 118  -9.854 -16.909  -5.517
 1127   1HB   LEU 118          2HB       LEU 118 -11.073 -16.569  -2.784
 1128   2HB   LEU 118          1HB       LEU 118  -9.363 -16.571  -3.152
 1129    HG   LEU 118           HG       LEU 118 -11.361 -14.477  -4.023
 1130   1HD1  LEU 118          3HD1      LEU 118 -10.879 -14.394  -1.641
 1131   2HD1  LEU 118          2HD1      LEU 118  -9.149 -14.382  -1.980
 1132   3HD1  LEU 118          1HD1      LEU 118 -10.151 -13.021  -2.474
 1133   1HD2  LEU 118          2HD2      LEU 118  -8.361 -14.599  -4.406
 1134   2HD2  LEU 118          1HD2      LEU 118  -9.575 -14.752  -5.676
 1135   3HD2  LEU 118          3HD2      LEU 118  -9.394 -13.229  -4.810
 1136    MD1  LEU 118           QD1      LEU 118 -10.060 -13.932  -2.032
 1137    MD2  LEU 118           QD2      LEU 118  -9.110 -14.193  -4.964
 1138    QB   LEU 118           QB       LEU 118 -10.218 -16.570  -2.968
 1139    QD   LEU 118           QQD      LEU 118  -9.585 -14.063  -3.498
 1140    H    GLY 119           H        GLY 119 -12.509 -18.835  -4.869
 1141   1HA   GLY 119          1HA       GLY 119 -10.843 -21.149  -4.334
 1142   2HA   GLY 119          2HA       GLY 119 -12.578 -21.159  -4.653
 1143    QA   GLY 119           QA       GLY 119 -11.711 -21.154  -4.493
 1144    H    LEU 120           H        LEU 120 -13.731 -19.783  -2.852
 1145    HA   LEU 120           HA       LEU 120 -12.591 -20.098  -0.180
 1146   1HB   LEU 120          2HB       LEU 120 -13.913 -18.064  -0.865
 1147   2HB   LEU 120          1HB       LEU 120 -15.287 -19.156  -1.020
 1148    HG   LEU 120           HG       LEU 120 -15.146 -19.652   1.390
 1149   1HD1  LEU 120          1HD1      LEU 120 -13.107 -17.443   1.432
 1150   2HD1  LEU 120          3HD1      LEU 120 -13.859 -18.177   2.850
 1151   3HD1  LEU 120          2HD1      LEU 120 -12.824 -19.146   1.804
 1152   1HD2  LEU 120          3HD2      LEU 120 -16.711 -17.978   0.504
 1153   2HD2  LEU 120          2HD2      LEU 120 -16.155 -17.552   2.126
 1154   3HD2  LEU 120          1HD2      LEU 120 -15.486 -16.733   0.712
 1155    MD1  LEU 120           QD1      LEU 120 -13.263 -18.255   2.029
 1156    MD2  LEU 120           QD2      LEU 120 -16.117 -17.421   1.114
 1157    QB   LEU 120           QB       LEU 120 -14.600 -18.610  -0.943
 1158    QD   LEU 120           QQD      LEU 120 -14.690 -17.838   1.571
 1159    H    ALA 121           H        ALA 121 -14.917 -21.577  -2.287
 1160    HA   ALA 121           HA       ALA 121 -16.160 -23.015  -0.164
 1161   1HB   ALA 121          1HB       ALA 121 -16.647 -23.197  -3.127
 1162   2HB   ALA 121          3HB       ALA 121 -17.674 -23.887  -1.869
 1163   3HB   ALA 121          2HB       ALA 121 -17.512 -22.134  -2.014
 1164    MB   ALA 121           QB       ALA 121 -17.278 -23.073  -2.337
 1165    H    GLU 122           H        GLU 122 -13.576 -23.572  -0.323
 1166    HA   GLU 122           HA       GLU 122 -13.043 -26.032  -1.749
 1167   1HB   GLU 122          2HB       GLU 122 -11.284 -24.268  -1.279
 1168   2HB   GLU 122          1HB       GLU 122 -11.414 -24.680   0.422
 1169   1HG   GLU 122          2HG       GLU 122  -9.484 -25.744  -0.590
 1170   2HG   GLU 122          1HG       GLU 122 -10.663 -26.947  -0.064
 1171    QB   GLU 122           QB       GLU 122 -11.349 -24.474  -0.429
 1172    QG   GLU 122           QG       GLU 122 -10.074 -26.346  -0.327
 1173    H    SER 123           H        SER 123 -13.079 -28.054  -0.786
 1174    HA   SER 123           HA       SER 123 -14.198 -28.093   1.924
 1175   1HB   SER 123          2HB       SER 123 -15.898 -28.439   0.116
 1176   2HB   SER 123          1HB       SER 123 -15.018 -29.877  -0.373
 1177    HG   SER 123           HG       SER 123 -16.681 -29.407   1.702
 1178    QB   SER 123           QB       SER 123 -15.458 -29.158  -0.129
 1179    H    ARG 124           H        ARG 124 -14.111 -30.245   2.887
 1180    HA   ARG 124           HA       ARG 124 -11.465 -31.469   2.385
 1181   1HB   ARG 124          2HB       ARG 124 -13.020 -31.595   4.971
 1182   2HB   ARG 124          1HB       ARG 124 -11.308 -31.888   4.732
 1183   1HG   ARG 124          2HG       ARG 124 -12.739 -29.266   4.592
 1184   2HG   ARG 124          1HG       ARG 124 -11.641 -29.769   5.890
 1185   1HD   ARG 124          2HD       ARG 124 -11.024 -29.142   3.005
 1186   2HD   ARG 124          1HD       ARG 124 -10.548 -28.192   4.403
 1187    HE   ARG 124           HE       ARG 124  -9.553 -30.909   4.376
 1188   1HH1  ARG 124          1HH1      ARG 124  -8.815 -27.547   3.536
 1189   2HH1  ARG 124          2HH1      ARG 124  -7.143 -27.781   3.433
 1190   1HH2  ARG 124          1HH2      ARG 124  -7.280 -31.270   4.219
 1191   2HH2  ARG 124          2HH2      ARG 124  -6.228 -29.985   3.849
 1192    QB   ARG 124           QB       ARG 124 -12.164 -31.741   4.852
 1193    QG   ARG 124           QG       ARG 124 -12.190 -29.517   5.241
 1194    QD   ARG 124           QD       ARG 124 -10.786 -28.667   3.704
 1195    QH1  ARG 124           QH1      ARG 124  -7.979 -27.664   3.484
 1196    QH2  ARG 124           QH2      ARG 124  -6.754 -30.628   4.034
 1197    H    GLN 125           H        GLN 125 -14.292 -31.866   1.455
 1198    HA   GLN 125           HA       GLN 125 -15.549 -34.154   2.418
 1199   1HB   GLN 125          2HB       GLN 125 -16.666 -34.315   0.223
 1200   2HB   GLN 125          1HB       GLN 125 -16.674 -32.683   0.875
 1201   1HG   GLN 125          2HG       GLN 125 -14.795 -32.105  -0.603
 1202   2HG   GLN 125          1HG       GLN 125 -14.841 -33.725  -1.279
 1203   1HE2  GLN 125          1HE2      GLN 125 -17.791 -33.840  -1.279
 1204   2HE2  GLN 125          2HE2      GLN 125 -18.274 -32.779  -2.549
 1205    QB   GLN 125           QB       GLN 125 -16.670 -33.499   0.549
 1206    QG   GLN 125           QG       GLN 125 -14.818 -32.915  -0.941
 1207    QE   GLN 125           QE2      GLN 125 -18.033 -33.309  -1.914

  No H/Q in entry =        1207
  Start of MODEL   16
    1    H1   LEU   5          3HT       LEU   5  -8.594  26.316 -23.839
    2    H2   LEU   5          2HT       LEU   5 -10.004  27.104 -24.337
    3    H3   LEU   5          1HT       LEU   5  -8.520  27.413 -25.103
    4    HA   LEU   5           HA       LEU   5  -8.961  29.219 -23.624
    5   1HB   LEU   5          2HB       LEU   5 -10.429  27.834 -22.131
    6   2HB   LEU   5          1HB       LEU   5  -8.996  27.040 -21.521
    7    HG   LEU   5           HG       LEU   5  -8.240  29.314 -20.714
    8   1HD1  LEU   5          2HD1      LEU   5  -9.715  30.651 -22.112
    9   2HD1  LEU   5          1HD1      LEU   5 -11.113  30.001 -21.263
   10   3HD1  LEU   5          3HD1      LEU   5  -9.951  31.008 -20.399
   11   1HD2  LEU   5          3HD2      LEU   5  -9.117  27.599 -19.224
   12   2HD2  LEU   5          2HD2      LEU   5  -9.645  29.203 -18.719
   13   3HD2  LEU   5          1HD2      LEU   5 -10.763  28.132 -19.566
   14    MD1  LEU   5           QD1      LEU   5 -10.260  30.553 -21.258
   15    MD2  LEU   5           QD2      LEU   5  -9.842  28.311 -19.170
   16    QB   LEU   5           QB       LEU   5  -9.713  27.437 -21.826
   17    QD   LEU   5           QQD      LEU   5 -10.051  29.432 -20.214
   18    H    GLU   6           H        GLU   6  -7.106  30.184 -22.576
   19    HA   GLU   6           HA       GLU   6  -4.642  28.888 -23.029
   20   1HB   GLU   6          2HB       GLU   6  -4.861  31.389 -23.108
   21   2HB   GLU   6          1HB       GLU   6  -5.286  31.270 -21.398
   22   1HG   GLU   6          2HG       GLU   6  -3.053  32.100 -21.909
   23   2HG   GLU   6          1HG       GLU   6  -3.066  30.723 -20.800
   24    QB   GLU   6           QB       GLU   6  -5.073  31.330 -22.253
   25    QG   GLU   6           QG       GLU   6  -3.059  31.411 -21.355
   26    H    ALA   7           H        ALA   7  -3.169  28.320 -21.472
   27    HA   ALA   7           HA       ALA   7  -4.150  26.462 -19.645
   28   1HB   ALA   7          3HB       ALA   7  -1.855  26.200 -18.897
   29   2HB   ALA   7          2HB       ALA   7  -1.953  26.270 -20.654
   30   3HB   ALA   7          1HB       ALA   7  -1.400  27.680 -19.740
   31    MB   ALA   7           QB       ALA   7  -1.736  26.717 -19.764
   32    H    ASP   8           H        ASP   8  -4.657  26.497 -17.664
   33    HA   ASP   8           HA       ASP   8  -4.901  28.981 -16.106
   34   1HB   ASP   8          2HB       ASP   8  -6.711  27.157 -16.526
   35   2HB   ASP   8          1HB       ASP   8  -5.759  26.138 -15.467
   36    QB   ASP   8           QB       ASP   8  -6.235  26.647 -15.996
   37    H    VAL   9           H        VAL   9  -4.725  27.250 -13.612
   38    HA   VAL   9           HA       VAL   9  -2.125  27.708 -13.098
   39    HB   VAL   9           HB       VAL   9  -2.497  26.615 -10.917
   40   1HG1  VAL   9          1HG1      VAL   9  -4.660  28.431 -11.945
   41   2HG1  VAL   9          3HG1      VAL   9  -4.359  28.119 -10.232
   42   3HG1  VAL   9          2HG1      VAL   9  -3.131  28.927 -11.219
   43   1HG2  VAL   9          3HG2      VAL   9  -3.890  24.804 -11.724
   44   2HG2  VAL   9          2HG2      VAL   9  -4.711  25.692 -10.424
   45   3HG2  VAL   9          1HG2      VAL   9  -5.156  25.959 -12.124
   46    MG1  VAL   9           QG1      VAL   9  -4.050  28.492 -11.132
   47    MG2  VAL   9           QG2      VAL   9  -4.586  25.485 -11.424
   48    QG   VAL   9           QQG      VAL   9  -4.318  26.989 -11.278
   49    H    THR  10           H        THR  10  -3.383  25.297 -14.868
   50    HA   THR  10           HA       THR  10  -2.809  23.313 -15.760
   51    HB   THR  10           HB       THR  10  -0.548  22.776 -16.061
   52    HG1  THR  10          1HG       THR  10  -0.142  24.513 -13.924
   53   1HG2  THR  10          1HG2      THR  10  -1.063  25.721 -16.386
   54   2HG2  THR  10          3HG2      THR  10   0.257  24.865 -17.181
   55   3HG2  THR  10          2HG2      THR  10  -1.414  24.430 -17.542
   56    MG   THR  10           QG2      THR  10  -0.740  25.005 -17.036
   57    H    MET  11           H        MET  11  -1.113  21.227 -15.097
   58    HA   MET  11           HA       MET  11  -2.455  20.262 -12.799
   59   1HB   MET  11          2HB       MET  11  -0.250  19.096 -14.507
   60   2HB   MET  11          1HB       MET  11  -0.997  18.253 -13.155
   61   1HG   MET  11          2HG       MET  11  -3.168  18.392 -14.296
   62   2HG   MET  11          1HG       MET  11  -2.394  19.206 -15.645
   63   1HE   MET  11          3HE       MET  11  -4.222  16.632 -15.883
   64   2HE   MET  11          2HE       MET  11  -3.477  17.434 -17.263
   65   3HE   MET  11          1HE       MET  11  -3.320  15.685 -17.070
   66    QB   MET  11           QB       MET  11  -0.624  18.674 -13.831
   67    QG   MET  11           QG       MET  11  -2.781  18.799 -14.971
   68    ME   MET  11           QE       MET  11  -3.673  16.583 -16.739
   69    H    THR  12           H        THR  12  -1.875  21.154 -10.923
   70    HA   THR  12           HA       THR  12   0.716  22.163 -10.404
   71    HB   THR  12           HB       THR  12  -0.101  22.458  -8.198
   72    HG1  THR  12          1HG       THR  12  -1.688  20.783  -8.135
   73   1HG2  THR  12          1HG2      THR  12  -1.848  23.537 -10.414
   74   2HG2  THR  12          3HG2      THR  12  -1.770  24.228  -8.788
   75   3HG2  THR  12          2HG2      THR  12  -0.340  24.232  -9.816
   76    MG   THR  12           QG2      THR  12  -1.320  23.999  -9.672
   77    H    GLY  13           H        GLY  13   1.942  20.384 -10.896
   78   1HA   GLY  13          1HA       GLY  13   2.231  17.969 -10.087
   79   2HA   GLY  13          2HA       GLY  13   2.414  18.763  -8.523
   80    QA   GLY  13           QA       GLY  13   2.323  18.366  -9.305
   81    H    SER  14           H        SER  14   4.374  19.245  -7.980
   82    HA   SER  14           HA       SER  14   6.509  19.044  -9.963
   83   1HB   SER  14          2HB       SER  14   6.198  21.448  -8.155
   84   2HB   SER  14          1HB       SER  14   7.524  21.166  -9.283
   85    HG   SER  14           HG       SER  14   5.265  20.858 -10.577
   86    QB   SER  14           QB       SER  14   6.861  21.307  -8.719
   87    H    ASP  15           H        ASP  15   5.529  19.120  -6.468
   88    HA   ASP  15           HA       ASP  15   8.112  18.107  -5.765
   89   1HB   ASP  15          2HB       ASP  15   7.365  18.845  -3.540
   90   2HB   ASP  15          1HB       ASP  15   7.809  20.199  -4.537
   91    QB   ASP  15           QB       ASP  15   7.587  19.522  -4.038
   92    H    LEU  16           H        LEU  16   6.573  16.424  -6.821
   93    HA   LEU  16           HA       LEU  16   5.600  14.855  -4.588
   94   1HB   LEU  16          2HB       LEU  16   4.586  14.828  -7.391
   95   2HB   LEU  16          1HB       LEU  16   4.020  13.823  -6.067
   96    HG   LEU  16           HG       LEU  16   2.424  15.320  -6.352
   97   1HD1  LEU  16          3HD1      LEU  16   2.907  15.273  -4.024
   98   2HD1  LEU  16          2HD1      LEU  16   4.055  16.601  -4.207
   99   3HD1  LEU  16          1HD1      LEU  16   2.335  16.880  -4.476
  100   1HD2  LEU  16          3HD2      LEU  16   4.414  17.463  -6.831
  101   2HD2  LEU  16          2HD2      LEU  16   3.224  16.705  -7.914
  102   3HD2  LEU  16          1HD2      LEU  16   2.673  17.751  -6.613
  103    MD1  LEU  16           QD1      LEU  16   3.099  16.251  -4.236
  104    MD2  LEU  16           QD2      LEU  16   3.437  17.306  -7.119
  105    QB   LEU  16           QB       LEU  16   4.303  14.326  -6.729
  106    QD   LEU  16           QQD      LEU  16   3.268  16.779  -5.677
  107    H    VAL  17           H        VAL  17   5.632  12.711  -4.828
  108    HA   VAL  17           HA       VAL  17   7.670  11.738  -6.418
  109    HB   VAL  17           HB       VAL  17   7.846  12.027  -3.437
  110   1HG1  VAL  17          3HG1      VAL  17   8.973   9.970  -5.115
  111   2HG1  VAL  17          2HG1      VAL  17   9.753  10.393  -3.540
  112   3HG1  VAL  17          1HG1      VAL  17   8.051   9.762  -3.612
  113   1HG2  VAL  17          1HG2      VAL  17   9.091  13.595  -4.892
  114   2HG2  VAL  17          3HG2      VAL  17  10.145  12.642  -3.856
  115   3HG2  VAL  17          2HG2      VAL  17   9.989  12.223  -5.552
  116    MG1  VAL  17           QG1      VAL  17   8.926  10.042  -4.089
  117    MG2  VAL  17           QG2      VAL  17   9.742  12.820  -4.767
  118    QG   VAL  17           QQG      VAL  17   9.334  11.431  -4.428
  119    H    SER  18           H        SER  18   7.527   9.393  -6.349
  120    HA   SER  18           HA       SER  18   5.216   8.173  -5.014
  121   1HB   SER  18          2HB       SER  18   6.074   7.699  -7.870
  122   2HB   SER  18          1HB       SER  18   5.003   6.618  -6.986
  123    HG   SER  18           HG       SER  18   3.928   8.807  -6.568
  124    QB   SER  18           QB       SER  18   5.538   7.159  -7.428
  125    H    CYS  19           H        CYS  19   5.986   6.817  -3.600
  126    HA   CYS  19           HA       CYS  19   8.304   5.187  -4.278
  127   1HB   CYS  19          2HB       CYS  19   6.645   5.367  -1.737
  128   2HB   CYS  19          1HB       CYS  19   8.079   4.362  -1.946
  129    HG   CYS  19           HG       CYS  19   9.478   6.909  -2.698
  130    QB   CYS  19           QB       CYS  19   7.362   4.864  -1.841
  131    H    CYS  20           H        CYS  20   7.962   3.232  -5.121
  132    HA   CYS  20           HA       CYS  20   5.162   2.293  -5.211
  133   1HB   CYS  20          2HB       CYS  20   6.070   3.355  -7.312
  134   2HB   CYS  20          1HB       CYS  20   7.304   2.112  -7.346
  135    HG   CYS  20           HG       CYS  20   5.949   0.438  -8.676
  136    QB   CYS  20           QB       CYS  20   6.687   2.733  -7.329
  137    H    TYR  21           H        TYR  21   5.160   0.405  -3.896
  138    HA   TYR  21           HA       TYR  21   7.776  -0.882  -3.829
  139   1HB   TYR  21          2HB       TYR  21   7.755  -1.110  -1.531
  140   2HB   TYR  21          1HB       TYR  21   7.320   0.554  -1.930
  141    HD1  TYR  21          1HD       TYR  21   5.807  -2.681  -0.842
  142    HD2  TYR  21          2HD       TYR  21   5.686   1.557  -0.707
  143    HE1  TYR  21          1HE       TYR  21   4.103  -2.793   0.843
  144    HE2  TYR  21          2HE       TYR  21   3.965   1.423   1.039
  145    HH   TYR  21           HH       TYR  21   2.223  -0.189   1.800
  146    QB   TYR  21           QB       TYR  21   7.538  -0.278  -1.731
  147    QD   TYR  21           QD       TYR  21   5.747  -0.562  -0.775
  148    QE   TYR  21           QE       TYR  21   4.034  -0.685   0.941
  149    QR   TYR  21           QR       TYR  21   4.890  -0.624   0.083
  150    H    ARG  22           H        ARG  22   7.892  -2.991  -2.975
  151    HA   ARG  22           HA       ARG  22   5.636  -4.735  -3.729
  152   1HB   ARG  22          2HB       ARG  22   7.590  -4.556  -5.336
  153   2HB   ARG  22          1HB       ARG  22   8.605  -5.172  -4.066
  154   1HG   ARG  22          2HG       ARG  22   6.321  -6.735  -5.277
  155   2HG   ARG  22          1HG       ARG  22   7.979  -6.818  -5.845
  156   1HD   ARG  22          2HD       ARG  22   6.867  -7.697  -3.188
  157   2HD   ARG  22          1HD       ARG  22   7.618  -8.697  -4.427
  158    HE   ARG  22           HE       ARG  22   8.965  -6.902  -2.547
  159   1HH1  ARG  22          1HH1      ARG  22   9.387  -9.145  -5.271
  160   2HH1  ARG  22          2HH1      ARG  22  10.930  -9.653  -4.766
  161   1HH2  ARG  22          1HH2      ARG  22  11.113  -7.643  -1.881
  162   2HH2  ARG  22          2HH2      ARG  22  11.945  -8.755  -2.841
  163    QB   ARG  22           QB       ARG  22   8.097  -4.864  -4.701
  164    QG   ARG  22           QG       ARG  22   7.150  -6.777  -5.561
  165    QD   ARG  22           QD       ARG  22   7.243  -8.197  -3.808
  166    QH1  ARG  22           QH1      ARG  22  10.159  -9.399  -5.018
  167    QH2  ARG  22           QH2      ARG  22  11.529  -8.199  -2.361
  168    H    SER  23           H        SER  23   5.045  -5.972  -2.011
  169    HA   SER  23           HA       SER  23   7.066  -6.612   0.010
  170   1HB   SER  23          2HB       SER  23   4.186  -5.935   0.602
  171   2HB   SER  23          1HB       SER  23   5.426  -6.372   1.771
  172    HG   SER  23           HG       SER  23   6.005  -4.328   0.047
  173    QB   SER  23           QB       SER  23   4.806  -6.154   1.186
  174    H    LEU  24           H        LEU  24   6.329  -8.505   1.334
  175    HA   LEU  24           HA       LEU  24   4.985 -10.377  -0.469
  176   1HB   LEU  24          2HB       LEU  24   7.336 -10.692   1.326
  177   2HB   LEU  24          1HB       LEU  24   6.344 -12.112   1.044
  178    HG   LEU  24           HG       LEU  24   8.220 -12.185  -0.400
  179   1HD1  LEU  24          2HD1      LEU  24   6.124 -12.886  -1.395
  180   2HD1  LEU  24          1HD1      LEU  24   5.886 -11.257  -2.030
  181   3HD1  LEU  24          3HD1      LEU  24   7.235 -12.239  -2.600
  182   1HD2  LEU  24          3HD2      LEU  24   8.862  -9.815  -0.332
  183   2HD2  LEU  24          2HD2      LEU  24   8.793 -10.425  -1.992
  184   3HD2  LEU  24          1HD2      LEU  24   7.482  -9.430  -1.360
  185    MD1  LEU  24           QD1      LEU  24   6.415 -12.128  -2.008
  186    MD2  LEU  24           QD2      LEU  24   8.379  -9.890  -1.228
  187    QB   LEU  24           QB       LEU  24   6.840 -11.402   1.185
  188    QD   LEU  24           QQD      LEU  24   7.397 -11.009  -1.618
  189    H    ALA  25           H        ALA  25   3.418  -8.871   1.168
  190    HA   ALA  25           HA       ALA  25   2.214  -8.838   3.274
  191   1HB   ALA  25          1HB       ALA  25   0.798  -9.054   1.296
  192   2HB   ALA  25          3HB       ALA  25   0.796 -10.811   1.493
  193   3HB   ALA  25          2HB       ALA  25   0.077  -9.761   2.727
  194    MB   ALA  25           QB       ALA  25   0.557  -9.875   1.838
  195    H    ALA  26           H        ALA  26   2.390  -9.571   5.372
  196    HA   ALA  26           HA       ALA  26   3.770 -11.888   5.730
  197   1HB   ALA  26          3HB       ALA  26   4.068  -9.988   7.107
  198   2HB   ALA  26          2HB       ALA  26   2.386 -10.051   7.667
  199   3HB   ALA  26          1HB       ALA  26   3.525 -11.334   8.105
  200    MB   ALA  26           QB       ALA  26   3.327 -10.458   7.627
  201    HA   PRO  27           HA       PRO  27   0.409 -14.824   5.873
  202   1HB   PRO  27          2HB       PRO  27   1.807 -16.714   7.259
  203   2HB   PRO  27          1HB       PRO  27   2.042 -16.416   5.529
  204   1HG   PRO  27          2HG       PRO  27   3.520 -15.119   7.812
  205   2HG   PRO  27          1HG       PRO  27   4.252 -16.082   6.467
  206   1HD   PRO  27          2HD       PRO  27   4.268 -13.553   6.452
  207   2HD   PRO  27          1HD       PRO  27   3.632 -14.339   4.983
  208    QB   PRO  27           QB       PRO  27   1.924 -16.565   6.394
  209    QG   PRO  27           QG       PRO  27   3.886 -15.600   7.140
  210    QD   PRO  27           QD       PRO  27   3.950 -13.946   5.717
  211    H    ASP  28           H        ASP  28   1.810 -13.279   8.332
  212    HA   ASP  28           HA       ASP  28   0.332 -14.575  10.524
  213   1HB   ASP  28          2HB       ASP  28   2.795 -14.193  10.769
  214   2HB   ASP  28          1HB       ASP  28   2.511 -12.464  10.678
  215    QB   ASP  28           QB       ASP  28   2.653 -13.328  10.723
  216    H    LEU  29           H        LEU  29  -0.511 -12.565   8.381
  217    HA   LEU  29           HA       LEU  29  -1.393 -10.213   9.750
  218   1HB   LEU  29          2HB       LEU  29  -1.756 -11.306   7.016
  219   2HB   LEU  29          1HB       LEU  29  -2.767  -9.991   7.567
  220    HG   LEU  29           HG       LEU  29   0.244  -9.917   7.471
  221   1HD1  LEU  29          2HD1      LEU  29  -1.848  -8.803   5.595
  222   2HD1  LEU  29          1HD1      LEU  29  -0.115  -8.404   5.590
  223   3HD1  LEU  29          3HD1      LEU  29  -0.622 -10.050   5.233
  224   1HD2  LEU  29          3HD2      LEU  29  -1.857  -7.836   7.983
  225   2HD2  LEU  29          2HD2      LEU  29  -0.648  -8.452   9.125
  226   3HD2  LEU  29          1HD2      LEU  29  -0.141  -7.521   7.724
  227    MD1  LEU  29           QD1      LEU  29  -0.862  -9.086   5.472
  228    MD2  LEU  29           QD2      LEU  29  -0.882  -7.937   8.277
  229    QB   LEU  29           QB       LEU  29  -2.262 -10.649   7.292
  230    QD   LEU  29           QQD      LEU  29  -0.872  -8.511   6.875
  231    H    THR  30           H        THR  30  -3.509  -9.486   9.818
  232    HA   THR  30           HA       THR  30  -5.618 -11.497   9.932
  233    HB   THR  30           HB       THR  30  -6.577  -9.675  11.380
  234    HG1  THR  30          1HG       THR  30  -3.934  -9.488  12.367
  235   1HG2  THR  30          2HG2      THR  30  -4.735 -11.824  12.267
  236   2HG2  THR  30          1HG2      THR  30  -5.774 -10.893  13.404
  237   3HG2  THR  30          3HG2      THR  30  -6.506 -11.786  12.070
  238    MG   THR  30           QG2      THR  30  -5.672 -11.501  12.580
  239    H    LEU  31           H        LEU  31  -7.537 -10.829   9.142
  240    HA   LEU  31           HA       LEU  31  -7.626  -8.974   6.999
  241   1HB   LEU  31          2HB       LEU  31  -9.231 -10.841   7.547
  242   2HB   LEU  31          1HB       LEU  31  -9.683  -9.739   8.871
  243    HG   LEU  31           HG       LEU  31 -10.499  -8.095   7.291
  244   1HD1  LEU  31          3HD1      LEU  31  -9.085  -8.577   5.401
  245   2HD1  LEU  31          2HD1      LEU  31  -9.924 -10.117   5.139
  246   3HD1  LEU  31          1HD1      LEU  31 -10.791  -8.580   4.966
  247   1HD2  LEU  31          1HD2      LEU  31 -11.714 -10.816   6.891
  248   2HD2  LEU  31          3HD2      LEU  31 -12.052  -9.688   8.202
  249   3HD2  LEU  31          2HD2      LEU  31 -12.507  -9.275   6.545
  250    MD1  LEU  31           QD1      LEU  31  -9.934  -9.091   5.169
  251    MD2  LEU  31           QD2      LEU  31 -12.091  -9.926   7.213
  252    QB   LEU  31           QB       LEU  31  -9.457 -10.290   8.209
  253    QD   LEU  31           QQD      LEU  31 -11.012  -9.509   6.191
  254    H    ARG  32           H        ARG  32  -8.344  -8.726  10.466
  255    HA   ARG  32           HA       ARG  32  -9.431  -6.162  10.074
  256   1HB   ARG  32          2HB       ARG  32 -10.031  -7.419  12.114
  257   2HB   ARG  32          1HB       ARG  32  -8.375  -7.274  12.696
  258   1HG   ARG  32          2HG       ARG  32  -9.827  -5.622  13.792
  259   2HG   ARG  32          1HG       ARG  32  -8.613  -4.829  12.783
  260   1HD   ARG  32          2HD       ARG  32 -10.384  -4.772  10.940
  261   2HD   ARG  32          1HD       ARG  32 -11.539  -5.219  12.185
  262    HE   ARG  32           HE       ARG  32 -10.314  -3.039  13.200
  263   1HH1  ARG  32          1HH1      ARG  32 -12.046  -3.754  10.215
  264   2HH1  ARG  32          2HH1      ARG  32 -12.491  -2.149   9.876
  265   1HH2  ARG  32          1HH2      ARG  32 -10.863  -0.795  12.740
  266   2HH2  ARG  32          2HH2      ARG  32 -11.797  -0.391  11.392
  267    QB   ARG  32           QB       ARG  32  -9.203  -7.347  12.405
  268    QG   ARG  32           QG       ARG  32  -9.220  -5.226  13.288
  269    QD   ARG  32           QD       ARG  32 -10.962  -4.996  11.562
  270    QH1  ARG  32           QH1      ARG  32 -12.268  -2.951  10.045
  271    QH2  ARG  32           QH2      ARG  32 -11.330  -0.593  12.066
  272    H    ASP  33           H        ASP  33  -6.240  -7.290  10.226
  273    HA   ASP  33           HA       ASP  33  -5.113  -4.737  10.920
  274   1HB   ASP  33          2HB       ASP  33  -3.988  -6.949  11.371
  275   2HB   ASP  33          1HB       ASP  33  -3.728  -7.103   9.640
  276    QB   ASP  33           QB       ASP  33  -3.858  -7.026  10.506
  277    H    LEU  34           H        LEU  34  -6.078  -6.415   7.944
  278    HA   LEU  34           HA       LEU  34  -4.706  -4.441   6.255
  279   1HB   LEU  34          2HB       LEU  34  -6.899  -6.405   5.543
  280   2HB   LEU  34          1HB       LEU  34  -6.266  -5.247   4.408
  281    HG   LEU  34           HG       LEU  34  -5.356  -7.428   3.971
  282   1HD1  LEU  34          1HD1      LEU  34  -3.886  -5.532   3.576
  283   2HD1  LEU  34          3HD1      LEU  34  -3.249  -5.670   5.215
  284   3HD1  LEU  34          2HD1      LEU  34  -2.976  -6.966   4.058
  285   1HD2  LEU  34          3HD2      LEU  34  -5.704  -8.132   6.277
  286   2HD2  LEU  34          2HD2      LEU  34  -4.151  -8.702   5.582
  287   3HD2  LEU  34          1HD2      LEU  34  -4.216  -7.306   6.707
  288    MD1  LEU  34           QD1      LEU  34  -3.370  -6.056   4.283
  289    MD2  LEU  34           QD2      LEU  34  -4.690  -8.047   6.188
  290    QB   LEU  34           QB       LEU  34  -6.583  -5.826   4.975
  291    QD   LEU  34           QQD      LEU  34  -4.030  -7.051   5.236
  292    H    LEU  35           H        LEU  35  -7.792  -5.026   7.513
  293    HA   LEU  35           HA       LEU  35  -9.044  -2.835   6.267
  294   1HB   LEU  35          2HB       LEU  35  -9.808  -4.655   8.529
  295   2HB   LEU  35          1HB       LEU  35 -10.813  -3.284   8.123
  296    HG   LEU  35           HG       LEU  35 -11.509  -5.568   7.117
  297   1HD1  LEU  35          3HD1      LEU  35 -11.039  -3.235   5.258
  298   2HD1  LEU  35          2HD1      LEU  35 -12.179  -4.554   4.994
  299   3HD1  LEU  35          1HD1      LEU  35 -12.420  -3.435   6.337
  300   1HD2  LEU  35          3HD2      LEU  35  -9.147  -6.135   6.414
  301   2HD2  LEU  35          2HD2      LEU  35 -10.344  -6.347   5.126
  302   3HD2  LEU  35          1HD2      LEU  35  -9.295  -4.916   5.184
  303    MD1  LEU  35           QD1      LEU  35 -11.880  -3.742   5.529
  304    MD2  LEU  35           QD2      LEU  35  -9.596  -5.799   5.575
  305    QB   LEU  35           QB       LEU  35 -10.311  -3.969   8.326
  306    QD   LEU  35           QQD      LEU  35 -10.738  -4.770   5.552
  307    H    ASP  36           H        ASP  36  -7.364  -3.300   9.183
  308    HA   ASP  36           HA       ASP  36  -7.814  -0.739  10.374
  309   1HB   ASP  36          2HB       ASP  36  -6.798  -2.532  11.671
  310   2HB   ASP  36          1HB       ASP  36  -5.385  -2.533  10.613
  311    QB   ASP  36           QB       ASP  36  -6.092  -2.532  11.142
  312    H    ILE  37           H        ILE  37  -5.220  -1.977   8.310
  313    HA   ILE  37           HA       ILE  37  -3.788   0.299   7.854
  314    HB   ILE  37           HB       ILE  37  -4.413  -2.059   6.061
  315   1HG1  ILE  37          2HG1      ILE  37  -1.689  -1.264   6.760
  316   2HG1  ILE  37          1HG1      ILE  37  -2.569  -1.884   8.108
  317   1HG2  ILE  37          1HG2      ILE  37  -2.606   0.227   5.280
  318   2HG2  ILE  37          3HG2      ILE  37  -2.735  -1.317   4.438
  319   3HG2  ILE  37          2HG2      ILE  37  -4.121  -0.229   4.493
  320   1HD1  ILE  37          1HD1      ILE  37  -2.083  -3.264   5.444
  321   2HD1  ILE  37          3HD1      ILE  37  -1.233  -3.609   6.942
  322   3HD1  ILE  37          2HD1      ILE  37  -2.936  -4.009   6.804
  323    MG   ILE  37           QG2      ILE  37  -3.154  -0.440   4.737
  324    MD   ILE  37           QD1      ILE  37  -2.084  -3.627   6.397
  325    QG   ILE  37           QG1      ILE  37  -2.129  -1.574   7.434
  326    H    VAL  38           H        VAL  38  -6.546  -0.844   5.857
  327    HA   VAL  38           HA       VAL  38  -6.561   1.431   4.250
  328    HB   VAL  38           HB       VAL  38  -7.776  -0.470   3.341
  329   1HG1  VAL  38          2HG1      VAL  38  -9.596  -0.288   5.680
  330   2HG1  VAL  38          1HG1      VAL  38  -9.804  -1.350   4.263
  331   3HG1  VAL  38          3HG1      VAL  38  -8.369  -1.497   5.273
  332   1HG2  VAL  38          1HG2      VAL  38  -8.723   1.703   2.607
  333   2HG2  VAL  38          3HG2      VAL  38  -9.946   0.438   2.712
  334   3HG2  VAL  38          2HG2      VAL  38  -9.821   1.651   3.981
  335    MG1  VAL  38           QG1      VAL  38  -9.256  -1.045   5.072
  336    MG2  VAL  38           QG2      VAL  38  -9.497   1.264   3.100
  337    QG   VAL  38           QQG      VAL  38  -9.377   0.109   4.086
  338    H    GLU  39           H        GLU  39  -8.596   0.890   7.094
  339    HA   GLU  39           HA       GLU  39 -10.072   3.234   7.010
  340   1HB   GLU  39          2HB       GLU  39  -9.039   1.687   9.373
  341   2HB   GLU  39          1HB       GLU  39 -10.219   2.971   9.504
  342   1HG   GLU  39          2HG       GLU  39 -10.588   0.442   7.923
  343   2HG   GLU  39          1HG       GLU  39 -11.200   0.713   9.549
  344    QB   GLU  39           QB       GLU  39  -9.629   2.329   9.438
  345    QG   GLU  39           QG       GLU  39 -10.894   0.578   8.736
  346    H    THR  40           H        THR  40  -6.951   2.623   8.559
  347    HA   THR  40           HA       THR  40  -6.773   5.295   9.547
  348    HB   THR  40           HB       THR  40  -4.551   3.257   9.441
  349    HG1  THR  40          1HG       THR  40  -6.018   2.103  10.493
  350   1HG2  THR  40          3HG2      THR  40  -5.271   5.505  11.311
  351   2HG2  THR  40          2HG2      THR  40  -3.941   4.363  11.540
  352   3HG2  THR  40          1HG2      THR  40  -3.944   5.466  10.145
  353    MG   THR  40           QG2      THR  40  -4.386   5.111  10.999
  354    H    SER  41           H        SER  41  -5.449   3.548   6.769
  355    HA   SER  41           HA       SER  41  -3.361   5.237   6.049
  356   1HB   SER  41          2HB       SER  41  -3.741   2.985   5.071
  357   2HB   SER  41          1HB       SER  41  -5.122   3.628   4.186
  358    HG   SER  41           HG       SER  41  -3.816   4.525   2.792
  359    QB   SER  41           QB       SER  41  -4.431   3.307   4.629
  360    H    GLN  42           H        GLN  42  -6.741   5.320   5.014
  361    HA   GLN  42           HA       GLN  42  -6.610   7.460   3.211
  362   1HB   GLN  42          2HB       GLN  42  -8.798   6.634   5.062
  363   2HB   GLN  42          1HB       GLN  42  -8.996   7.805   3.771
  364   1HG   GLN  42          2HG       GLN  42  -8.755   6.266   2.119
  365   2HG   GLN  42          1HG       GLN  42  -7.848   5.172   3.169
  366   1HE2  GLN  42          1HE2      GLN  42  -9.750   5.331   5.369
  367   2HE2  GLN  42          2HE2      GLN  42 -11.061   4.367   4.769
  368    QB   GLN  42           QB       GLN  42  -8.897   7.219   4.417
  369    QG   GLN  42           QG       GLN  42  -8.301   5.719   2.644
  370    QE   GLN  42           QE2      GLN  42 -10.406   4.849   5.069
  371    H    ALA  43           H        ALA  43  -7.064   7.388   6.618
  372    HA   ALA  43           HA       ALA  43  -7.624  10.147   6.888
  373   1HB   ALA  43          2HB       ALA  43  -7.650   9.657   9.231
  374   2HB   ALA  43          3HB       ALA  43  -6.751   8.154   8.964
  375   3HB   ALA  43          1HB       ALA  43  -8.386   8.315   8.328
  376    MB   ALA  43           QB       ALA  43  -7.596   8.709   8.841
  377    H    HIS  44           H        HIS  44  -4.758   8.370   6.553
  378    HA   HIS  44           HA       HIS  44  -3.119  10.575   7.561
  379   1HB   HIS  44          2HB       HIS  44  -2.532   8.101   8.004
  380   2HB   HIS  44          1HB       HIS  44  -2.253   8.082   6.258
  381    HD1  HIS  44          1HD       HIS  44   0.172   7.366   6.648
  382    HD2  HIS  44          2HD       HIS  44  -0.702  11.156   8.092
  383    HE1  HIS  44          1HE       HIS  44   2.376   8.375   7.300
  384    HE2  HIS  44          2HE       HIS  44   1.872  10.650   8.081
  385    QB   HIS  44           QB       HIS  44  -2.393   8.092   7.131
  386    H    ASN  45           H        ASN  45  -3.810   8.814   4.520
  387    HA   ASN  45           HA       ASN  45  -2.014  10.475   3.086
  388   1HB   ASN  45          2HB       ASN  45  -2.680   9.402   1.030
  389   2HB   ASN  45          1HB       ASN  45  -2.576   8.168   2.267
  390   1HD2  ASN  45          1HD2      ASN  45  -4.660   9.940   0.135
  391   2HD2  ASN  45          2HD2      ASN  45  -6.047   8.929   0.375
  392    QB   ASN  45           QB       ASN  45  -2.628   8.785   1.648
  393    QD   ASN  45           QD2      ASN  45  -5.354   9.434   0.255
  394    H    ALA  46           H        ALA  46  -5.418  10.719   3.810
  395    HA   ALA  46           HA       ALA  46  -6.030  12.797   2.020
  396   1HB   ALA  46          2HB       ALA  46  -7.784  13.422   3.620
  397   2HB   ALA  46          3HB       ALA  46  -7.016  12.409   4.846
  398   3HB   ALA  46          1HB       ALA  46  -7.732  11.670   3.411
  399    MB   ALA  46           QB       ALA  46  -7.511  12.500   3.959
  400    H    ARG  47           H        ARG  47  -4.690  12.757   5.259
  401    HA   ARG  47           HA       ARG  47  -4.362  15.535   5.572
  402   1HB   ARG  47          2HB       ARG  47  -4.256  13.842   7.442
  403   2HB   ARG  47          1HB       ARG  47  -2.720  13.347   6.709
  404   1HG   ARG  47          2HG       ARG  47  -2.295  14.761   8.643
  405   2HG   ARG  47          1HG       ARG  47  -1.741  15.481   7.129
  406   1HD   ARG  47          2HD       ARG  47  -2.759  17.181   8.462
  407   2HD   ARG  47          1HD       ARG  47  -3.792  16.859   7.081
  408    HE   ARG  47           HE       ARG  47  -4.520  15.345   9.391
  409   1HH1  ARG  47          1HH1      ARG  47  -4.942  18.416   7.738
  410   2HH1  ARG  47          2HH1      ARG  47  -6.300  18.920   8.622
  411   1HH2  ARG  47          1HH2      ARG  47  -6.365  16.002  10.657
  412   2HH2  ARG  47          2HH2      ARG  47  -7.166  17.470  10.335
  413    QB   ARG  47           QB       ARG  47  -3.488  13.594   7.075
  414    QG   ARG  47           QG       ARG  47  -2.018  15.121   7.886
  415    QD   ARG  47           QD       ARG  47  -3.276  17.020   7.772
  416    QH1  ARG  47           QH1      ARG  47  -5.621  18.668   8.180
  417    QH2  ARG  47           QH2      ARG  47  -6.766  16.736  10.496
  418    H    ALA  48           H        ALA  48  -2.142  13.001   4.526
  419    HA   ALA  48           HA       ALA  48  -0.180  14.943   4.212
  420   1HB   ALA  48          1HB       ALA  48   0.347  12.710   4.921
  421   2HB   ALA  48          2HB       ALA  48   1.284  13.206   3.507
  422   3HB   ALA  48          3HB       ALA  48  -0.083  12.082   3.323
  423    MB   ALA  48           QB       ALA  48   0.516  12.666   3.917
  424    H    GLN  49           H        GLN  49  -2.751  14.226   2.292
  425    HA   GLN  49           HA       GLN  49  -3.489  14.862   0.247
  426   1HB   GLN  49          2HB       GLN  49  -0.813  16.228   0.053
  427   2HB   GLN  49          1HB       GLN  49  -2.135  16.489  -1.115
  428   1HG   GLN  49          2HG       GLN  49  -3.067  17.908   0.295
  429   2HG   GLN  49          1HG       GLN  49  -2.789  16.695   1.593
  430   1HE2  GLN  49          1HE2      GLN  49  -1.167  16.876   2.906
  431   2HE2  GLN  49          2HE2      GLN  49   0.038  18.096   2.927
  432    QB   GLN  49           QB       GLN  49  -1.474  16.358  -0.531
  433    QG   GLN  49           QG       GLN  49  -2.928  17.301   0.944
  434    QE   GLN  49           QE2      GLN  49  -0.565  17.486   2.916
  435    H    LEU  50           H        LEU  50  -1.852  12.617   0.822
  436    HA   LEU  50           HA       LEU  50  -0.488  11.823  -1.581
  437   1HB   LEU  50          2HB       LEU  50  -0.985  10.687   1.073
  438   2HB   LEU  50          1HB       LEU  50  -0.732   9.540  -0.224
  439    HG   LEU  50           HG       LEU  50   1.397  10.477  -0.684
  440   1HD1  LEU  50          1HD1      LEU  50   0.883  12.400   1.555
  441   2HD1  LEU  50          3HD1      LEU  50   2.435  12.163   0.754
  442   3HD1  LEU  50          2HD1      LEU  50   1.055  12.790  -0.152
  443   1HD2  LEU  50          1HD2      LEU  50   1.249   8.736   0.950
  444   2HD2  LEU  50          3HD2      LEU  50   2.551   9.851   1.358
  445   3HD2  LEU  50          2HD2      LEU  50   1.022   9.933   2.228
  446    MD1  LEU  50           QD1      LEU  50   1.458  12.451   0.719
  447    MD2  LEU  50           QD2      LEU  50   1.608   9.507   1.512
  448    QB   LEU  50           QB       LEU  50  -0.859  10.114   0.425
  449    QD   LEU  50           QQD      LEU  50   1.533  10.979   1.115
  450    H    THR  51           H        THR  51  -1.142  10.536  -3.168
  451    HA   THR  51           HA       THR  51  -3.842   9.476  -3.067
  452    HB   THR  51           HB       THR  51  -3.966  10.047  -5.503
  453    HG1  THR  51          1HG       THR  51  -1.937  10.231  -6.277
  454   1HG2  THR  51          2HG2      THR  51  -4.669  11.529  -3.709
  455   2HG2  THR  51          1HG2      THR  51  -3.075  12.304  -3.756
  456   3HG2  THR  51          3HG2      THR  51  -4.162  12.428  -5.162
  457    MG   THR  51           QG2      THR  51  -3.969  12.087  -4.209
  458    H    GLY  52           H        GLY  52  -4.079   7.417  -4.372
  459   1HA   GLY  52          1HA       GLY  52  -2.353   5.669  -3.128
  460   2HA   GLY  52          2HA       GLY  52  -1.714   5.889  -4.746
  461    QA   GLY  52           QA       GLY  52  -2.033   5.779  -3.937
  462    H    ALA  53           H        ALA  53  -2.136   3.558  -4.353
  463    HA   ALA  53           HA       ALA  53  -4.734   2.559  -4.426
  464   1HB   ALA  53          3HB       ALA  53  -4.753   3.324  -6.779
  465   2HB   ALA  53          1HB       ALA  53  -4.828   1.565  -6.682
  466   3HB   ALA  53          2HB       ALA  53  -3.308   2.365  -7.091
  467    MB   ALA  53           QB       ALA  53  -4.296   2.418  -6.851
  468    H    LEU  54           H        LEU  54  -4.640   0.085  -5.016
  469    HA   LEU  54           HA       LEU  54  -2.120  -0.950  -3.998
  470   1HB   LEU  54          2HB       LEU  54  -3.430  -0.472  -2.037
  471   2HB   LEU  54          1HB       LEU  54  -4.847  -1.179  -2.756
  472    HG   LEU  54           HG       LEU  54  -3.807  -2.410  -0.825
  473   1HD1  LEU  54          3HD1      LEU  54  -5.393  -3.513  -2.240
  474   2HD1  LEU  54          2HD1      LEU  54  -4.112  -3.966  -3.367
  475   3HD1  LEU  54          1HD1      LEU  54  -4.132  -4.635  -1.735
  476   1HD2  LEU  54          3HD2      LEU  54  -1.684  -3.049  -2.854
  477   2HD2  LEU  54          2HD2      LEU  54  -1.481  -2.194  -1.319
  478   3HD2  LEU  54          1HD2      LEU  54  -1.913  -3.902  -1.326
  479    MD1  LEU  54           QD1      LEU  54  -4.546  -4.038  -2.447
  480    MD2  LEU  54           QD2      LEU  54  -1.692  -3.048  -1.833
  481    QB   LEU  54           QB       LEU  54  -4.138  -0.826  -2.397
  482    QD   LEU  54           QQD      LEU  54  -3.119  -3.543  -2.140
  483    H    PHE  55           H        PHE  55  -1.633  -2.984  -4.697
  484    HA   PHE  55           HA       PHE  55  -3.702  -4.575  -5.988
  485   1HB   PHE  55          2HB       PHE  55  -0.856  -4.114  -6.971
  486   2HB   PHE  55          1HB       PHE  55  -1.893  -5.395  -7.570
  487    HD1  PHE  55          1HD       PHE  55  -3.675  -4.927  -9.104
  488    HD2  PHE  55          2HD       PHE  55  -1.303  -1.757  -7.541
  489    HE1  PHE  55          1HE       PHE  55  -4.558  -3.414 -10.830
  490    HE2  PHE  55          2HE       PHE  55  -2.178  -0.250  -9.266
  491    HZ   PHE  55           HZ       PHE  55  -3.811  -1.073 -10.915
  492    QB   PHE  55           QB       PHE  55  -1.375  -4.755  -7.270
  493    QD   PHE  55           QD       PHE  55  -2.489  -3.342  -8.323
  494    QE   PHE  55           QE       PHE  55  -3.368  -1.832 -10.048
  495    QR   PHE  55           QR       PHE  55  -3.105  -2.284  -9.531
  496    H    TYR  56           H        TYR  56  -3.948  -6.186  -4.567
  497    HA   TYR  56           HA       TYR  56  -1.547  -7.433  -3.417
  498   1HB   TYR  56          2HB       TYR  56  -2.820  -6.298  -1.667
  499   2HB   TYR  56          1HB       TYR  56  -4.319  -7.028  -2.135
  500    HD1  TYR  56          1HD       TYR  56  -3.427  -9.967  -2.237
  501    HD2  TYR  56          2HD       TYR  56  -2.513  -6.862   0.521
  502    HE1  TYR  56          1HE       TYR  56  -3.054 -11.642  -0.483
  503    HE2  TYR  56          2HE       TYR  56  -2.124  -8.537   2.272
  504    HH   TYR  56           HH       TYR  56  -2.807 -10.879   2.777
  505    QB   TYR  56           QB       TYR  56  -3.569  -6.663  -1.901
  506    QD   TYR  56           QD       TYR  56  -2.970  -8.414  -0.858
  507    QE   TYR  56           QE       TYR  56  -2.589 -10.090   0.895
  508    QR   TYR  56           QR       TYR  56  -2.779  -9.252   0.018
  509    H    SER  57           H        SER  57  -1.247  -9.251  -4.617
  510    HA   SER  57           HA       SER  57  -3.652 -10.653  -5.353
  511   1HB   SER  57          2HB       SER  57  -2.233 -11.528  -7.274
  512   2HB   SER  57          1HB       SER  57  -2.720  -9.836  -7.339
  513    HG   SER  57           HG       SER  57  -0.245 -10.967  -7.073
  514    QB   SER  57           QB       SER  57  -2.477 -10.682  -7.306
  515    H    GLN  58           H        GLN  58  -3.786 -11.807  -3.631
  516    HA   GLN  58           HA       GLN  58  -3.775 -13.586  -2.357
  517   1HB   GLN  58          2HB       GLN  58  -3.326 -15.722  -3.303
  518   2HB   GLN  58          1HB       GLN  58  -3.785 -14.577  -4.568
  519   1HG   GLN  58          2HG       GLN  58  -1.536 -14.426  -5.367
  520   2HG   GLN  58          1HG       GLN  58  -0.956 -15.435  -4.041
  521   1HE2  GLN  58          1HE2      GLN  58  -0.129 -17.001  -5.423
  522   2HE2  GLN  58          2HE2      GLN  58  -1.133 -18.050  -6.338
  523    QB   GLN  58           QB       GLN  58  -3.555 -15.149  -3.935
  524    QG   GLN  58           QG       GLN  58  -1.246 -14.931  -4.704
  525    QE   GLN  58           QE2      GLN  58  -0.631 -17.525  -5.881
  526    H    GLY  59           H        GLY  59  -0.773 -12.195  -2.809
  527   1HA   GLY  59          1HA       GLY  59   0.885 -13.839  -1.204
  528   2HA   GLY  59          2HA       GLY  59   0.008 -12.737  -0.164
  529    QA   GLY  59           QA       GLY  59   0.446 -13.288  -0.684
  530    H    VAL  60           H        VAL  60   1.012 -11.953  -3.426
  531    HA   VAL  60           HA       VAL  60   3.171 -10.442  -2.299
  532    HB   VAL  60           HB       VAL  60   3.814  -9.837  -4.605
  533   1HG1  VAL  60          1HG1      VAL  60   3.325 -12.776  -4.202
  534   2HG1  VAL  60          3HG1      VAL  60   4.436 -12.075  -5.375
  535   3HG1  VAL  60          2HG1      VAL  60   4.723 -11.852  -3.649
  536   1HG2  VAL  60          2HG2      VAL  60   1.596  -9.794  -5.647
  537   2HG2  VAL  60          1HG2      VAL  60   2.693 -10.863  -6.526
  538   3HG2  VAL  60          3HG2      VAL  60   1.470 -11.543  -5.453
  539    MG1  VAL  60           QG1      VAL  60   4.161 -12.234  -4.409
  540    MG2  VAL  60           QG2      VAL  60   1.920 -10.733  -5.875
  541    QG   VAL  60           QQG      VAL  60   3.041 -11.484  -5.142
  542    H    PHE  61           H        PHE  61   3.120  -8.511  -1.754
  543    HA   PHE  61           HA       PHE  61   0.727  -6.862  -2.099
  544   1HB   PHE  61          2HB       PHE  61   2.838  -7.204  -0.261
  545   2HB   PHE  61          1HB       PHE  61   2.848  -5.551  -0.847
  546    HD1  PHE  61          1HD       PHE  61   2.201  -7.111   1.828
  547    HD2  PHE  61          2HD       PHE  61  -0.078  -5.008  -1.064
  548    HE1  PHE  61          1HE       PHE  61   0.598  -6.538   3.543
  549    HE2  PHE  61          2HE       PHE  61  -1.704  -4.414   0.679
  550    HZ   PHE  61           HZ       PHE  61  -1.324  -5.179   2.996
  551    QB   PHE  61           QB       PHE  61   2.843  -6.377  -0.554
  552    QD   PHE  61           QD       PHE  61   1.062  -6.060   0.382
  553    QE   PHE  61           QE       PHE  61  -0.553  -5.476   2.111
  554    QR   PHE  61           QR       PHE  61  -0.061  -5.650   1.596
  555    H    PHE  62           H        PHE  62   0.704  -5.394  -3.814
  556    HA   PHE  62           HA       PHE  62   3.196  -3.934  -4.273
  557   1HB   PHE  62          2HB       PHE  62   2.614  -5.257  -6.256
  558   2HB   PHE  62          1HB       PHE  62   0.986  -4.593  -6.243
  559    HD1  PHE  62          1HD       PHE  62   0.548  -2.407  -7.137
  560    HD2  PHE  62          2HD       PHE  62   4.518  -3.892  -6.897
  561    HE1  PHE  62          1HE       PHE  62   1.312  -0.579  -8.611
  562    HE2  PHE  62          2HE       PHE  62   5.286  -2.073  -8.368
  563    HZ   PHE  62           HZ       PHE  62   3.678  -0.429  -9.223
  564    QB   PHE  62           QB       PHE  62   1.800  -4.925  -6.250
  565    QD   PHE  62           QD       PHE  62   2.533  -3.150  -7.017
  566    QE   PHE  62           QE       PHE  62   3.299  -1.326  -8.489
  567    QR   PHE  62           QR       PHE  62   3.069  -1.876  -8.047
  568    H    GLN  63           H        GLN  63   2.969  -1.957  -3.458
  569    HA   GLN  63           HA       GLN  63   0.355  -0.635  -3.589
  570   1HB   GLN  63          2HB       GLN  63   0.850  -1.933  -1.357
  571   2HB   GLN  63          1HB       GLN  63   1.974  -0.635  -1.041
  572   1HG   GLN  63          2HG       GLN  63  -0.954  -0.198  -1.569
  573   2HG   GLN  63          1HG       GLN  63  -0.304  -0.470   0.032
  574   1HE2  GLN  63          1HE2      GLN  63   2.100   1.212  -0.591
  575   2HE2  GLN  63          2HE2      GLN  63   1.476   2.837  -0.601
  576    QB   GLN  63           QB       GLN  63   1.412  -1.284  -1.199
  577    QG   GLN  63           QG       GLN  63  -0.629  -0.334  -0.768
  578    QE   GLN  63           QE2      GLN  63   1.788   2.024  -0.596
  579    H    TRP  64           H        TRP  64   0.651   1.581  -4.026
  580    HA   TRP  64           HA       TRP  64   3.253   2.578  -3.411
  581   1HB   TRP  64          2HB       TRP  64   3.772   3.432  -5.515
  582   2HB   TRP  64          1HB       TRP  64   3.253   1.752  -5.809
  583    HD1  TRP  64           HD       TRP  64   3.245   5.018  -7.179
  584    HE1  TRP  64          1HE       TRP  64   1.391   5.368  -8.861
  585    HE3  TRP  64          3HE       TRP  64   0.292   1.042  -5.947
  586    HZ2  TRP  64          2HZ       TRP  64  -1.023   4.151  -9.600
  587    HZ3  TRP  64          3HZ       TRP  64  -1.816   0.747  -7.176
  588    HH2  TRP  64           HH       TRP  64  -2.437   2.251  -8.986
  589    QB   TRP  64           QB       TRP  64   3.512   2.592  -5.662
  590    H    LEU  65           H        LEU  65   3.276   5.017  -3.785
  591    HA   LEU  65           HA       LEU  65   0.664   6.216  -3.453
  592   1HB   LEU  65          2HB       LEU  65   1.390   7.376  -1.388
  593   2HB   LEU  65          1HB       LEU  65   1.117   5.660  -1.195
  594    HG   LEU  65           HG       LEU  65   3.847   6.748  -1.658
  595   1HD1  LEU  65          1HD1      LEU  65   2.333   6.455   0.933
  596   2HD1  LEU  65          3HD1      LEU  65   4.079   6.687   0.858
  597   3HD1  LEU  65          2HD1      LEU  65   3.011   7.949   0.256
  598   1HD2  LEU  65          3HD2      LEU  65   3.595   4.318  -1.806
  599   2HD2  LEU  65          2HD2      LEU  65   4.557   4.748  -0.387
  600   3HD2  LEU  65          1HD2      LEU  65   2.864   4.285  -0.201
  601    MD1  LEU  65           QD1      LEU  65   3.141   7.030   0.682
  602    MD2  LEU  65           QD2      LEU  65   3.672   4.450  -0.798
  603    QB   LEU  65           QB       LEU  65   1.254   6.518  -1.292
  604    QD   LEU  65           QQD      LEU  65   3.407   5.740  -0.058
  605    H    GLU  66           H        GLU  66   0.534   8.243  -4.098
  606    HA   GLU  66           HA       GLU  66   2.912   9.589  -5.207
  607   1HB   GLU  66          2HB       GLU  66   0.004  10.390  -5.445
  608   2HB   GLU  66          1HB       GLU  66   1.368  10.898  -6.408
  609   1HG   GLU  66          2HG       GLU  66   1.399   8.818  -7.580
  610   2HG   GLU  66          1HG       GLU  66   0.130   8.169  -6.527
  611    QB   GLU  66           QB       GLU  66   0.686  10.644  -5.927
  612    QG   GLU  66           QG       GLU  66   0.764   8.493  -7.053
  613    H    GLY  67           H        GLY  67   3.704  11.214  -3.876
  614   1HA   GLY  67          1HA       GLY  67   2.671  11.986  -1.477
  615   2HA   GLY  67          2HA       GLY  67   1.871  13.019  -2.657
  616    QA   GLY  67           QA       GLY  67   2.271  12.502  -2.067
  617    H    HIS  68           H        HIS  68   3.208  14.597  -1.177
  618    HA   HIS  68           HA       HIS  68   5.602  15.440  -2.504
  619   1HB   HIS  68          2HB       HIS  68   4.315  17.141  -1.382
  620   2HB   HIS  68          1HB       HIS  68   4.332  16.291   0.132
  621    HD1  HIS  68          1HD       HIS  68   6.346  16.585   1.664
  622    HD2  HIS  68          2HD       HIS  68   6.441  18.423  -1.966
  623    HE1  HIS  68          1HE       HIS  68   8.392  17.944   1.814
  624    HE2  HIS  68          2HE       HIS  68   8.637  18.937  -0.510
  625    QB   HIS  68           QB       HIS  68   4.323  16.716  -0.625
  626    HA   PRO  69           HA       PRO  69   8.555  12.383  -1.274
  627   1HB   PRO  69          2HB       PRO  69  10.509  14.292  -0.403
  628   2HB   PRO  69          1HB       PRO  69  10.473  13.345  -1.890
  629   1HG   PRO  69          2HG       PRO  69   9.552  16.112  -1.403
  630   2HG   PRO  69          1HG       PRO  69  10.094  15.367  -2.913
  631   1HD   PRO  69          2HD       PRO  69   7.549  15.966  -2.509
  632   2HD   PRO  69          1HD       PRO  69   7.973  14.453  -3.336
  633    QB   PRO  69           QB       PRO  69  10.491  13.818  -1.147
  634    QG   PRO  69           QG       PRO  69   9.823  15.740  -2.158
  635    QD   PRO  69           QD       PRO  69   7.761  15.209  -2.922
  636    H    ALA  70           H        ALA  70   8.728  14.995   1.169
  637    HA   ALA  70           HA       ALA  70   9.477  13.089   3.103
  638   1HB   ALA  70          3HB       ALA  70  10.154  15.377   3.371
  639   2HB   ALA  70          1HB       ALA  70   9.209  14.798   4.750
  640   3HB   ALA  70          2HB       ALA  70   8.451  15.859   3.520
  641    MB   ALA  70           QB       ALA  70   9.271  15.345   3.880
  642    H    ALA  71           H        ALA  71   6.418  14.137   2.152
  643    HA   ALA  71           HA       ALA  71   5.017  13.244   4.416
  644   1HB   ALA  71          3HB       ALA  71   4.331  13.309   1.548
  645   2HB   ALA  71          2HB       ALA  71   3.135  13.032   2.813
  646   3HB   ALA  71          1HB       ALA  71   3.986  14.615   2.692
  647    MB   ALA  71           QB       ALA  71   3.817  13.652   2.351
  648    H    VAL  72           H        VAL  72   5.935  11.928   1.380
  649    HA   VAL  72           HA       VAL  72   4.877   9.316   1.490
  650    HB   VAL  72           HB       VAL  72   7.515   9.816   0.175
  651   1HG1  VAL  72          3HG1      VAL  72   6.417   7.702  -0.079
  652   2HG1  VAL  72          2HG1      VAL  72   5.013   8.590  -0.725
  653   3HG1  VAL  72          1HG1      VAL  72   6.556   8.604  -1.623
  654   1HG2  VAL  72          3HG2      VAL  72   4.968  11.036  -0.804
  655   2HG2  VAL  72          2HG2      VAL  72   6.473  11.837  -0.274
  656   3HG2  VAL  72          1HG2      VAL  72   6.465  10.858  -1.743
  657    MG1  VAL  72           QG1      VAL  72   5.995   8.299  -0.809
  658    MG2  VAL  72           QG2      VAL  72   5.969  11.244  -0.941
  659    QG   VAL  72           QQG      VAL  72   5.982   9.771  -0.875
  660    H    ALA  73           H        ALA  73   7.957  10.699   2.475
  661    HA   ALA  73           HA       ALA  73   9.056   8.241   3.299
  662   1HB   ALA  73          2HB       ALA  73   9.857  11.004   4.035
  663   2HB   ALA  73          1HB       ALA  73  10.731   9.432   4.311
  664   3HB   ALA  73          3HB       ALA  73  10.434  10.005   2.663
  665    MB   ALA  73           QB       ALA  73  10.341  10.147   3.670
  666    H    GLU  74           H        GLU  74   7.403  10.797   5.029
  667    HA   GLU  74           HA       GLU  74   7.733   9.760   7.681
  668   1HB   GLU  74          2HB       GLU  74   6.952  12.109   6.907
  669   2HB   GLU  74          1HB       GLU  74   5.421  11.374   6.525
  670   1HG   GLU  74          2HG       GLU  74   6.571  11.364   9.303
  671   2HG   GLU  74          1HG       GLU  74   5.619  12.703   8.677
  672    QB   GLU  74           QB       GLU  74   6.186  11.741   6.716
  673    QG   GLU  74           QG       GLU  74   6.095  12.033   8.990
  674    H    VAL  75           H        VAL  75   5.484   9.245   5.107
  675    HA   VAL  75           HA       VAL  75   3.966   7.255   6.336
  676    HB   VAL  75           HB       VAL  75   4.632   7.791   3.422
  677   1HG1  VAL  75          1HG1      VAL  75   2.633   5.845   4.526
  678   2HG1  VAL  75          3HG1      VAL  75   2.853   6.316   2.831
  679   3HG1  VAL  75          2HG1      VAL  75   4.145   5.459   3.668
  680   1HG2  VAL  75          2HG2      VAL  75   2.150   8.234   5.047
  681   2HG2  VAL  75          1HG2      VAL  75   3.276   9.471   4.491
  682   3HG2  VAL  75          3HG2      VAL  75   2.324   8.555   3.322
  683    MG1  VAL  75           QG1      VAL  75   3.210   5.873   3.675
  684    MG2  VAL  75           QG2      VAL  75   2.583   8.753   4.287
  685    QG   VAL  75           QQG      VAL  75   2.897   7.313   3.981
  686    H    MET  76           H        MET  76   6.814   6.856   4.014
  687    HA   MET  76           HA       MET  76   7.257   4.208   4.208
  688   1HB   MET  76          2HB       MET  76   9.245   6.402   4.282
  689   2HB   MET  76          1HB       MET  76   9.696   4.781   3.892
  690   1HG   MET  76          2HG       MET  76   7.675   6.256   2.303
  691   2HG   MET  76          1HG       MET  76   9.390   6.456   1.955
  692   1HE   MET  76          2HE       MET  76   6.293   4.274   2.001
  693   2HE   MET  76          1HE       MET  76   6.762   2.786   1.128
  694   3HE   MET  76          3HE       MET  76   7.348   3.062   2.757
  695    QB   MET  76           QB       MET  76   9.471   5.591   4.087
  696    QG   MET  76           QG       MET  76   8.532   6.356   2.129
  697    ME   MET  76           QE       MET  76   6.801   3.374   1.962
  698    H    SER  77           H        SER  77   8.601   6.626   6.440
  699    HA   SER  77           HA       SER  77  10.028   4.872   8.061
  700   1HB   SER  77          2HB       SER  77   8.653   7.431   8.855
  701   2HB   SER  77          1HB       SER  77   9.986   6.670   9.728
  702    HG   SER  77           HG       SER  77   9.970   7.891   7.188
  703    QB   SER  77           QB       SER  77   9.319   7.051   9.292
  704    H    HIS  78           H        HIS  78   6.627   5.752   8.301
  705    HA   HIS  78           HA       HIS  78   6.188   4.133  10.651
  706   1HB   HIS  78          2HB       HIS  78   4.220   5.037   8.560
  707   2HB   HIS  78          1HB       HIS  78   3.754   4.012   9.901
  708    HD1  HIS  78          1HD       HIS  78   4.560   5.238  12.366
  709    HD2  HIS  78          2HD       HIS  78   3.723   7.556   9.038
  710    HE1  HIS  78          1HE       HIS  78   4.164   7.523  13.237
  711    HE2  HIS  78          2HE       HIS  78   4.112   8.913  11.080
  712    QB   HIS  78           QB       HIS  78   3.987   4.525   9.231
  713    H    ILE  79           H        ILE  79   6.026   3.428   7.249
  714    HA   ILE  79           HA       ILE  79   4.916   0.750   7.769
  715    HB   ILE  79           HB       ILE  79   5.735   1.451   5.020
  716   1HG1  ILE  79          2HG1      ILE  79   3.388   2.853   6.293
  717   2HG1  ILE  79          1HG1      ILE  79   4.872   3.607   5.696
  718   1HG2  ILE  79          1HG2      ILE  79   4.372  -0.532   5.754
  719   2HG2  ILE  79          3HG2      ILE  79   3.097   0.588   6.258
  720   3HG2  ILE  79          2HG2      ILE  79   3.575   0.474   4.556
  721   1HD1  ILE  79          3HD1      ILE  79   2.975   2.034   3.976
  722   2HD1  ILE  79          2HD1      ILE  79   2.973   3.791   4.100
  723   3HD1  ILE  79          1HD1      ILE  79   4.378   2.946   3.441
  724    MG   ILE  79           QG2      ILE  79   3.681   0.177   5.523
  725    MD   ILE  79           QD1      ILE  79   3.442   2.924   3.839
  726    QG   ILE  79           QG1      ILE  79   4.130   3.230   5.995
  727    H    GLN  80           H        GLN  80   8.007   2.099   7.153
  728    HA   GLN  80           HA       GLN  80   9.053  -0.356   6.260
  729   1HB   GLN  80          2HB       GLN  80  10.471   2.142   7.167
  730   2HB   GLN  80          1HB       GLN  80  11.317   0.704   6.610
  731   1HG   GLN  80          2HG       GLN  80   9.441   2.451   4.996
  732   2HG   GLN  80          1HG       GLN  80  11.128   2.090   4.636
  733   1HE2  GLN  80          1HE2      GLN  80   7.951   1.187   4.485
  734   2HE2  GLN  80          2HE2      GLN  80   8.222  -0.229   3.505
  735    QB   GLN  80           QB       GLN  80  10.894   1.423   6.889
  736    QG   GLN  80           QG       GLN  80  10.285   2.271   4.816
  737    QE   GLN  80           QE2      GLN  80   8.086   0.479   3.995
  738    H    ARG  81           H        ARG  81   8.386   0.842   9.345
  739    HA   ARG  81           HA       ARG  81   9.918  -1.305  10.465
  740   1HB   ARG  81          2HB       ARG  81   8.124   0.749  11.814
  741   2HB   ARG  81          1HB       ARG  81   9.018  -0.525  12.662
  742   1HG   ARG  81          2HG       ARG  81  11.072   0.252  11.808
  743   2HG   ARG  81          1HG       ARG  81  10.269   1.538  10.906
  744   1HD   ARG  81          2HD       ARG  81   9.572   2.524  13.069
  745   2HD   ARG  81          1HD       ARG  81  10.440   1.232  13.910
  746    HE   ARG  81           HE       ARG  81  12.088   2.534  12.013
  747   1HH1  ARG  81          1HH1      ARG  81  10.844   2.989  15.312
  748   2HH1  ARG  81          2HH1      ARG  81  12.181   3.924  15.801
  749   1HH2  ARG  81          1HH2      ARG  81  13.891   3.792  12.743
  750   2HH2  ARG  81          2HH2      ARG  81  13.926   4.373  14.353
  751    QB   ARG  81           QB       ARG  81   8.571   0.112  12.238
  752    QG   ARG  81           QG       ARG  81  10.671   0.895  11.357
  753    QD   ARG  81           QD       ARG  81  10.006   1.878  13.489
  754    QH1  ARG  81           QH1      ARG  81  11.513   3.456  15.556
  755    QH2  ARG  81           QH2      ARG  81  13.908   4.083  13.548
  756    H    ASP  82           H        ASP  82   8.288  -2.026   8.609
  757    HA   ASP  82           HA       ASP  82   5.997  -3.217   8.795
  758   1HB   ASP  82          2HB       ASP  82   6.961  -3.452   6.929
  759   2HB   ASP  82          1HB       ASP  82   8.526  -4.080   7.428
  760    QB   ASP  82           QB       ASP  82   7.743  -3.766   7.179
  761    H    ARG  83           H        ARG  83   5.523  -5.438   8.802
  762    HA   ARG  83           HA       ARG  83   5.751  -7.180  10.859
  763   1HB   ARG  83          2HB       ARG  83   4.016  -6.214  12.492
  764   2HB   ARG  83          1HB       ARG  83   5.603  -5.457  12.528
  765   1HG   ARG  83          2HG       ARG  83   4.741  -3.682  11.020
  766   2HG   ARG  83          1HG       ARG  83   3.154  -4.405  11.135
  767   1HD   ARG  83          2HD       ARG  83   4.675  -3.471  13.574
  768   2HD   ARG  83          1HD       ARG  83   3.541  -2.447  12.704
  769    HE   ARG  83           HE       ARG  83   2.048  -4.623  13.245
  770   1HH1  ARG  83          1HH1      ARG  83   4.118  -2.704  15.364
  771   2HH1  ARG  83          2HH1      ARG  83   3.079  -2.806  16.708
  772   1HH2  ARG  83          1HH2      ARG  83   0.653  -4.798  15.059
  773   2HH2  ARG  83          2HH2      ARG  83   1.074  -4.074  16.547
  774    QB   ARG  83           QB       ARG  83   4.810  -5.836  12.510
  775    QG   ARG  83           QG       ARG  83   3.947  -4.044  11.077
  776    QD   ARG  83           QD       ARG  83   4.108  -2.959  13.139
  777    QH1  ARG  83           QH1      ARG  83   3.599  -2.755  16.036
  778    QH2  ARG  83           QH2      ARG  83   0.863  -4.436  15.803
  779    H    ARG  84           H        ARG  84   3.745  -5.161   8.766
  780    HA   ARG  84           HA       ARG  84   1.573  -7.118   8.775
  781   1HB   ARG  84          2HB       ARG  84   1.559  -4.489   7.333
  782   2HB   ARG  84          1HB       ARG  84   0.200  -5.456   7.877
  783   1HG   ARG  84          2HG       ARG  84   0.923  -4.925  10.257
  784   2HG   ARG  84          1HG       ARG  84   2.082  -3.805   9.545
  785   1HD   ARG  84          2HD       ARG  84   0.180  -2.695   8.400
  786   2HD   ARG  84          1HD       ARG  84  -0.899  -3.713   9.355
  787    HE   ARG  84           HE       ARG  84   1.068  -2.073  10.737
  788   1HH1  ARG  84          1HH1      ARG  84  -2.361  -2.785  10.167
  789   2HH1  ARG  84          2HH1      ARG  84  -2.957  -1.531  11.150
  790   1HH2  ARG  84          1HH2      ARG  84   0.255  -0.370  12.143
  791   2HH2  ARG  84          2HH2      ARG  84  -1.408  -0.118  12.298
  792    QB   ARG  84           QB       ARG  84   0.880  -4.972   7.605
  793    QG   ARG  84           QG       ARG  84   1.502  -4.365   9.901
  794    QD   ARG  84           QD       ARG  84  -0.360  -3.204   8.877
  795    QH1  ARG  84           QH1      ARG  84  -2.659  -2.158  10.658
  796    QH2  ARG  84           QH2      ARG  84  -0.577  -0.244  12.220
  797    H    HIS  85           H        HIS  85   4.128  -5.917   6.729
  798    HA   HIS  85           HA       HIS  85   2.950  -7.316   4.508
  799   1HB   HIS  85          2HB       HIS  85   3.630  -5.539   2.945
  800   2HB   HIS  85          1HB       HIS  85   2.299  -5.074   3.993
  801    HD1  HIS  85          1HD       HIS  85   3.562  -2.731   2.775
  802    HD2  HIS  85          2HD       HIS  85   5.278  -4.396   6.157
  803    HE1  HIS  85          1HE       HIS  85   5.084  -1.046   3.811
  804    HE2  HIS  85          2HE       HIS  85   5.929  -2.020   5.847
  805    QB   HIS  85           QB       HIS  85   2.964  -5.307   3.469
  806    H    SER  86           H        SER  86   4.169  -8.783   4.558
  807    HA   SER  86           HA       SER  86   6.294  -9.540   5.880
  808   1HB   SER  86          2HB       SER  86   4.786 -10.428   3.895
  809   2HB   SER  86          1HB       SER  86   6.477 -10.746   3.466
  810    HG   SER  86           HG       SER  86   6.211 -11.387   6.038
  811    QB   SER  86           QB       SER  86   5.631 -10.587   3.680
  812    H    ASN  87           H        ASN  87   7.312  -7.175   4.283
  813    HA   ASN  87           HA       ASN  87   9.987  -7.938   3.825
  814   1HB   ASN  87          2HB       ASN  87   8.978  -9.182   1.923
  815   2HB   ASN  87          1HB       ASN  87   8.423  -7.654   1.280
  816   1HD2  ASN  87          1HD2      ASN  87  11.556  -8.486   2.738
  817   2HD2  ASN  87          2HD2      ASN  87  12.435  -8.127   1.309
  818    QB   ASN  87           QB       ASN  87   8.700  -8.418   1.601
  819    QD   ASN  87           QD2      ASN  87  11.995  -8.307   2.024
  820    H    VAL  88           H        VAL  88   7.669  -6.073   2.660
  821    HA   VAL  88           HA       VAL  88   7.837  -4.389   1.221
  822    HB   VAL  88           HB       VAL  88   6.761  -3.712   3.090
  823   1HG1  VAL  88          3HG1      VAL  88   8.341  -3.869   4.741
  824   2HG1  VAL  88          2HG1      VAL  88   9.258  -2.437   4.046
  825   3HG1  VAL  88          1HG1      VAL  88   7.596  -2.240   4.661
  826   1HG2  VAL  88          2HG2      VAL  88   6.976  -2.186   1.183
  827   2HG2  VAL  88          1HG2      VAL  88   6.796  -1.295   2.695
  828   3HG2  VAL  88          3HG2      VAL  88   8.381  -1.451   1.950
  829    MG1  VAL  88           QG1      VAL  88   8.398  -2.848   4.483
  830    MG2  VAL  88           QG2      VAL  88   7.384  -1.644   1.942
  831    QG   VAL  88           QQG      VAL  88   7.891  -2.246   3.212
  832    H    GLU  89           H        GLU  89   9.157  -4.570  -0.204
  833    HA   GLU  89           HA       GLU  89  11.411  -2.830   0.179
  834   1HB   GLU  89          2HB       GLU  89  11.033  -5.141  -1.605
  835   2HB   GLU  89          1HB       GLU  89  12.090  -3.821  -2.101
  836   1HG   GLU  89          2HG       GLU  89  12.393  -5.590   0.303
  837   2HG   GLU  89          1HG       GLU  89  13.357  -5.297  -1.163
  838    QB   GLU  89           QB       GLU  89  11.561  -4.481  -1.853
  839    QG   GLU  89           QG       GLU  89  12.875  -5.443  -0.430
  840    H    ILE  90           H        ILE  90  10.818  -1.139  -0.119
  841    HA   ILE  90           HA       ILE  90   9.073   0.268  -1.722
  842    HB   ILE  90           HB       ILE  90  11.860   1.244  -1.562
  843   1HG1  ILE  90          2HG1      ILE  90  11.467   0.390   0.646
  844   2HG1  ILE  90          1HG1      ILE  90  11.343   2.143   0.730
  845   1HG2  ILE  90          1HG2      ILE  90  10.104   2.740  -2.658
  846   2HG2  ILE  90          3HG2      ILE  90   9.180   2.667  -1.143
  847   3HG2  ILE  90          2HG2      ILE  90  10.714   3.461  -1.165
  848   1HD1  ILE  90          2HD1      ILE  90   8.940   1.987   0.640
  849   2HD1  ILE  90          1HD1      ILE  90   9.058   0.227   0.563
  850   3HD1  ILE  90          3HD1      ILE  90   9.589   1.089   2.017
  851    MG   ILE  90           QG2      ILE  90   9.999   2.956  -1.655
  852    MD   ILE  90           QD1      ILE  90   9.196   1.101   1.073
  853    QG   ILE  90           QG1      ILE  90  11.405   1.267   0.688
  854    H    LEU  91           H        LEU  91  12.323  -0.378  -2.558
  855    HA   LEU  91           HA       LEU  91  13.418  -1.047  -4.390
  856   1HB   LEU  91          2HB       LEU  91  10.692  -1.618  -5.531
  857   2HB   LEU  91          1HB       LEU  91  12.184  -1.988  -6.363
  858    HG   LEU  91           HG       LEU  91  11.291  -3.172  -3.743
  859   1HD1  LEU  91          3HD1      LEU  91  11.377  -4.329  -6.515
  860   2HD1  LEU  91          2HD1      LEU  91  11.017  -5.236  -5.049
  861   3HD1  LEU  91          1HD1      LEU  91   9.933  -3.948  -5.581
  862   1HD2  LEU  91          3HD2      LEU  91  13.686  -3.787  -5.481
  863   2HD2  LEU  91          2HD2      LEU  91  13.713  -3.057  -3.878
  864   3HD2  LEU  91          1HD2      LEU  91  13.178  -4.722  -4.072
  865    MD1  LEU  91           QD1      LEU  91  10.776  -4.504  -5.715
  866    MD2  LEU  91           QD2      LEU  91  13.525  -3.855  -4.477
  867    QB   LEU  91           QB       LEU  91  11.438  -1.803  -5.947
  868    QD   LEU  91           QQD      LEU  91  12.150  -4.180  -5.096
  869    H    ALA  92           H        ALA  92  10.847   1.085  -4.911
  870    HA   ALA  92           HA       ALA  92  12.480   2.622  -6.822
  871   1HB   ALA  92          3HB       ALA  92  11.105   1.170  -8.172
  872   2HB   ALA  92          1HB       ALA  92  10.574   2.852  -8.345
  873   3HB   ALA  92          2HB       ALA  92   9.666   1.734  -7.321
  874    MB   ALA  92           QB       ALA  92  10.448   1.919  -7.946
  875    H    GLU  93           H        GLU  93  12.390   4.684  -6.454
  876    HA   GLU  93           HA       GLU  93  10.014   5.936  -5.291
  877   1HB   GLU  93          2HB       GLU  93  12.862   6.640  -4.448
  878   2HB   GLU  93          1HB       GLU  93  11.334   7.300  -3.879
  879   1HG   GLU  93          2HG       GLU  93  10.775   5.460  -2.715
  880   2HG   GLU  93          1HG       GLU  93  12.097   4.493  -3.407
  881    QB   GLU  93           QB       GLU  93  12.098   6.970  -4.164
  882    QG   GLU  93           QG       GLU  93  11.436   4.976  -3.061
  883    H    GLU  94           H        GLU  94   9.461   7.234  -6.955
  884    HA   GLU  94           HA       GLU  94  11.644   8.598  -8.383
  885   1HB   GLU  94          2HB       GLU  94  10.165   8.586 -10.395
  886   2HB   GLU  94          1HB       GLU  94  10.750   6.996  -9.912
  887   1HG   GLU  94          2HG       GLU  94   8.616   6.458  -8.976
  888   2HG   GLU  94          1HG       GLU  94   8.020   8.098  -9.261
  889    QB   GLU  94           QB       GLU  94  10.458   7.791 -10.154
  890    QG   GLU  94           QG       GLU  94   8.318   7.278  -9.119
  891    H    SER  95           H        SER  95  11.258  10.720  -9.086
  892    HA   SER  95           HA       SER  95   9.343  12.086  -7.462
  893   1HB   SER  95          2HB       SER  95  10.377  14.139  -8.523
  894   2HB   SER  95          1HB       SER  95  11.481  13.120  -7.612
  895    HG   SER  95           HG       SER  95  11.260  12.485 -10.292
  896    QB   SER  95           QB       SER  95  10.929  13.629  -8.068
  897    H    ILE  96           H        ILE  96   7.455  12.657  -8.035
  898    HA   ILE  96           HA       ILE  96   6.678  12.358 -10.884
  899    HB   ILE  96           HB       ILE  96   4.497  11.852 -10.177
  900   1HG1  ILE  96          2HG1      ILE  96   5.576  11.312  -7.430
  901   2HG1  ILE  96          1HG1      ILE  96   4.913  12.880  -7.851
  902   1HG2  ILE  96          1HG2      ILE  96   6.049  10.099 -10.821
  903   2HG2  ILE  96          3HG2      ILE  96   6.663   9.989  -9.177
  904   3HG2  ILE  96          2HG2      ILE  96   5.007   9.483  -9.530
  905   1HD1  ILE  96          1HD1      ILE  96   3.411  10.297  -8.048
  906   2HD1  ILE  96          3HD1      ILE  96   3.402  11.393  -6.668
  907   3HD1  ILE  96          2HD1      ILE  96   2.798  11.968  -8.201
  908    MG   ILE  96           QG2      ILE  96   5.906   9.857  -9.843
  909    MD   ILE  96           QD1      ILE  96   3.204  11.219  -7.639
  910    QG   ILE  96           QG1      ILE  96   5.245  12.096  -7.641
  911    H    ALA  97           H        ALA  97   4.439  13.345 -11.259
  912    HA   ALA  97           HA       ALA  97   4.427  16.022 -10.107
  913   1HB   ALA  97          3HB       ALA  97   4.871  15.941 -12.540
  914   2HB   ALA  97          1HB       ALA  97   3.346  16.779 -12.124
  915   3HB   ALA  97          2HB       ALA  97   3.302  15.099 -12.674
  916    MB   ALA  97           QB       ALA  97   3.840  15.940 -12.446
  917    H    LYS  98           H        LYS  98   3.206  13.347  -9.840
  918    HA   LYS  98           HA       LYS  98   1.312  12.279  -9.151
  919   1HB   LYS  98          2HB       LYS  98   2.093  13.976  -7.547
  920   2HB   LYS  98          1HB       LYS  98   0.754  14.953  -8.073
  921   1HG   LYS  98          2HG       LYS  98  -0.208  12.365  -7.468
  922   2HG   LYS  98          1HG       LYS  98   1.047  12.826  -6.416
  923   1HD   LYS  98          2HD       LYS  98  -0.773  14.985  -6.598
  924   2HD   LYS  98          1HD       LYS  98  -1.484  13.528  -5.851
  925   1HE   LYS  98          2HE       LYS  98   0.413  13.282  -4.580
  926   2HE   LYS  98          1HE       LYS  98   1.133  14.744  -5.239
  927   1HZ   LYS  98          1HZ       LYS  98  -0.860  16.000  -4.307
  928   2HZ   LYS  98          3HZ       LYS  98  -1.274  14.605  -3.445
  929   3HZ   LYS  98          2HZ       LYS  98   0.157  15.390  -3.120
  930    QB   LYS  98           QB       LYS  98   1.423  14.464  -7.810
  931    QD   LYS  98           QD       LYS  98  -1.129  14.256  -6.225
  932    QG   LYS  98           QG       LYS  98   0.420  12.595  -6.942
  933    QE   LYS  98           QE       LYS  98   0.773  14.013  -4.910
  934    QZ   LYS  98           QZ       LYS  98  -0.659  15.332  -3.624
  935    H    ARG  99           H        ARG  99  -1.112  13.152  -8.717
  936    HA   ARG  99           HA       ARG  99  -3.145  13.872  -9.535
  937   1HB   ARG  99          2HB       ARG  99  -1.541  15.663 -10.758
  938   2HB   ARG  99          1HB       ARG  99  -1.955  14.723 -12.162
  939   1HG   ARG  99          2HG       ARG  99  -3.425  16.571 -12.125
  940   2HG   ARG  99          1HG       ARG  99  -4.381  15.178 -11.600
  941   1HD   ARG  99          2HD       ARG  99  -4.209  15.843  -9.311
  942   2HD   ARG  99          1HD       ARG  99  -3.050  17.115  -9.706
  943    HE   ARG  99           HE       ARG  99  -5.591  17.311 -11.029
  944   1HH1  ARG  99          1HH1      ARG  99  -3.750  18.319  -8.146
  945   2HH1  ARG  99          2HH1      ARG  99  -4.723  19.681  -7.860
  946   1HH2  ARG  99          1HH2      ARG  99  -6.882  19.178 -10.606
  947   2HH2  ARG  99          2HH2      ARG  99  -6.572  20.185  -9.272
  948    QB   ARG  99           QB       ARG  99  -1.748  15.193 -11.460
  949    QG   ARG  99           QG       ARG  99  -3.903  15.875 -11.862
  950    QD   ARG  99           QD       ARG  99  -3.629  16.479  -9.508
  951    QH1  ARG  99           QH1      ARG  99  -4.237  19.000  -8.003
  952    QH2  ARG  99           QH2      ARG  99  -6.727  19.682  -9.939
  953    H    ARG 100           H        ARG 100  -1.575  11.392 -10.040
  954    HA   ARG 100           HA       ARG 100  -2.565  10.388 -12.533
  955   1HB   ARG 100          2HB       ARG 100  -1.105   9.022 -10.273
  956   2HB   ARG 100          1HB       ARG 100  -1.350   8.374 -11.891
  957   1HG   ARG 100          2HG       ARG 100   0.107   9.934 -12.863
  958   2HG   ARG 100          1HG       ARG 100   0.020  10.973 -11.426
  959   1HD   ARG 100          2HD       ARG 100   2.190   9.728 -11.625
  960   2HD   ARG 100          1HD       ARG 100   1.309   9.380 -10.141
  961    HE   ARG 100           HE       ARG 100   0.760   7.539 -12.261
  962   1HH1  ARG 100          1HH1      ARG 100   3.018   8.215  -9.582
  963   2HH1  ARG 100          2HH1      ARG 100   3.543   6.605  -9.470
  964   1HH2  ARG 100          1HH2      ARG 100   1.421   5.368 -12.006
  965   2HH2  ARG 100          2HH2      ARG 100   2.612   4.924 -10.882
  966    QB   ARG 100           QB       ARG 100  -1.228   8.698 -11.082
  967    QG   ARG 100           QG       ARG 100   0.063  10.454 -12.145
  968    QD   ARG 100           QD       ARG 100   1.750   9.554 -10.883
  969    QH1  ARG 100           QH1      ARG 100   3.280   7.410  -9.526
  970    QH2  ARG 100           QH2      ARG 100   2.016   5.146 -11.444
  971    H    PHE 101           H        PHE 101  -3.033   9.521  -9.051
  972    HA   PHE 101           HA       PHE 101  -5.486   8.257  -9.988
  973   1HB   PHE 101          2HB       PHE 101  -3.663   7.422  -7.771
  974   2HB   PHE 101          1HB       PHE 101  -5.354   6.930  -7.741
  975    HD1  PHE 101          1HD       PHE 101  -5.987   5.011  -8.833
  976    HD2  PHE 101          2HD       PHE 101  -2.372   6.926  -9.993
  977    HE1  PHE 101          1HE       PHE 101  -5.499   3.152 -10.368
  978    HE2  PHE 101          2HE       PHE 101  -1.877   5.074 -11.526
  979    HZ   PHE 101           HZ       PHE 101  -3.442   3.180 -11.719
  980    QB   PHE 101           QB       PHE 101  -4.509   7.176  -7.756
  981    QD   PHE 101           QD       PHE 101  -4.179   5.968  -9.413
  982    QE   PHE 101           QE       PHE 101  -3.688   4.113 -10.947
  983    QR   PHE 101           QR       PHE 101  -3.835   4.669 -10.488
  984    H    ALA 102           H        ALA 102  -4.455  10.660  -8.234
  985    HA   ALA 102           HA       ALA 102  -5.399  12.386  -7.055
  986   1HB   ALA 102          1HB       ALA 102  -6.860  12.489  -9.048
  987   2HB   ALA 102          2HB       ALA 102  -7.641  13.105  -7.592
  988   3HB   ALA 102          3HB       ALA 102  -8.042  11.502  -8.196
  989    MB   ALA 102           QB       ALA 102  -7.514  12.365  -8.279
  990    H    GLY 103           H        GLY 103  -6.550   9.346  -6.251
  991   1HA   GLY 103          1HA       GLY 103  -8.090   9.391  -4.100
  992   2HA   GLY 103          2HA       GLY 103  -6.649  10.190  -3.470
  993    QA   GLY 103           QA       GLY 103  -7.369   9.791  -3.785
  994    H    TRP 104           H        TRP 104  -6.531   8.215  -2.036
  995    HA   TRP 104           HA       TRP 104  -5.063   6.133  -3.417
  996   1HB   TRP 104          2HB       TRP 104  -3.903   6.867  -1.478
  997   2HB   TRP 104          1HB       TRP 104  -5.347   6.865  -0.511
  998    HD1  TRP 104           HD       TRP 104  -2.490   4.614  -1.597
  999    HE1  TRP 104          1HE       TRP 104  -2.641   2.459  -0.317
 1000    HE3  TRP 104          3HE       TRP 104  -7.100   5.288   0.548
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.555   1.181   1.442
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.972   3.712   1.900
 1003    HH2  TRP 104           HH       TRP 104  -6.834   1.696   2.392
 1004    QB   TRP 104           QB       TRP 104  -4.625   6.866  -0.994
 1005    H    HIS 105           H        HIS 105  -5.552   3.957  -3.483
 1006    HA   HIS 105           HA       HIS 105  -8.397   3.423  -3.003
 1007   1HB   HIS 105          2HB       HIS 105  -6.610   2.732  -5.302
 1008   2HB   HIS 105          1HB       HIS 105  -8.252   2.066  -5.119
 1009    HD1  HIS 105          1HD       HIS 105  -6.312   5.092  -6.144
 1010    HD2  HIS 105          2HD       HIS 105 -10.293   3.996  -5.653
 1011    HE1  HIS 105          1HE       HIS 105  -7.646   6.847  -7.326
 1012    HE2  HIS 105          2HE       HIS 105 -10.003   6.337  -6.689
 1013    QB   HIS 105           QB       HIS 105  -7.431   2.399  -5.211
 1014    H    MET 106           H        MET 106  -8.869   1.195  -2.439
 1015    HA   MET 106           HA       MET 106  -6.542  -0.535  -2.015
 1016   1HB   MET 106          2HB       MET 106  -7.627   0.786   0.094
 1017   2HB   MET 106          1HB       MET 106  -8.692  -0.606   0.045
 1018   1HG   MET 106          2HG       MET 106  -5.689  -0.698   0.311
 1019   2HG   MET 106          1HG       MET 106  -6.825  -0.899   1.627
 1020   1HE   MET 106          1HE       MET 106  -4.453  -2.846   1.114
 1021   2HE   MET 106          3HE       MET 106  -5.634  -3.232   2.371
 1022   3HE   MET 106          2HE       MET 106  -5.161  -4.443   1.164
 1023    QB   MET 106           QB       MET 106  -8.160   0.090   0.069
 1024    QG   MET 106           QG       MET 106  -6.257  -0.799   0.969
 1025    ME   MET 106           QE       MET 106  -5.083  -3.507   1.550
 1026    H    GLN 107           H        GLN 107  -7.058  -2.729  -2.299
 1027    HA   GLN 107           HA       GLN 107  -9.459  -3.201  -3.858
 1028   1HB   GLN 107          2HB       GLN 107  -7.162  -5.009  -3.159
 1029   2HB   GLN 107          1HB       GLN 107  -8.495  -5.460  -4.204
 1030   1HG   GLN 107          2HG       GLN 107  -7.865  -3.758  -5.795
 1031   2HG   GLN 107          1HG       GLN 107  -6.577  -3.209  -4.722
 1032   1HE2  GLN 107          1HE2      GLN 107  -6.390  -4.244  -7.424
 1033   2HE2  GLN 107          2HE2      GLN 107  -5.366  -5.632  -7.354
 1034    QB   GLN 107           QB       GLN 107  -7.829  -5.235  -3.681
 1035    QG   GLN 107           QG       GLN 107  -7.221  -3.484  -5.259
 1036    QE   GLN 107           QE2      GLN 107  -5.878  -4.938  -7.389
 1037    H    LEU 108           H        LEU 108  -8.230  -4.044  -0.694
 1038    HA   LEU 108           HA       LEU 108  -9.953  -6.281  -0.283
 1039   1HB   LEU 108          2HB       LEU 108  -8.027  -4.827   1.485
 1040   2HB   LEU 108          1HB       LEU 108  -9.146  -5.979   2.181
 1041    HG   LEU 108           HG       LEU 108  -6.948  -6.981   1.828
 1042   1HD1  LEU 108          1HD1      LEU 108  -8.886  -8.422   1.713
 1043   2HD1  LEU 108          3HD1      LEU 108  -9.011  -8.140  -0.027
 1044   3HD1  LEU 108          2HD1      LEU 108  -7.608  -8.977   0.635
 1045   1HD2  LEU 108          1HD2      LEU 108  -6.199  -5.668  -0.118
 1046   2HD2  LEU 108          3HD2      LEU 108  -6.062  -7.400  -0.415
 1047   3HD2  LEU 108          2HD2      LEU 108  -7.396  -6.483  -1.118
 1048    MD1  LEU 108           QD1      LEU 108  -8.502  -8.513   0.774
 1049    MD2  LEU 108           QD2      LEU 108  -6.552  -6.517  -0.550
 1050    QB   LEU 108           QB       LEU 108  -8.586  -5.403   1.833
 1051    QD   LEU 108           QQD      LEU 108  -7.527  -7.515   0.112
 1052    H    SER 109           H        SER 109 -10.970  -3.309  -0.541
 1053    HA   SER 109           HA       SER 109 -12.791  -3.226   1.676
 1054   1HB   SER 109          2HB       SER 109 -13.692  -1.300   0.278
 1055   2HB   SER 109          1HB       SER 109 -12.007  -1.139   0.788
 1056    HG   SER 109           HG       SER 109 -12.632  -0.751  -1.519
 1057    QB   SER 109           QB       SER 109 -12.849  -1.219   0.533
 1058    H    CYS 110           H        CYS 110 -12.444  -4.721  -1.320
 1059    HA   CYS 110           HA       CYS 110 -15.253  -5.497  -1.448
 1060   1HB   CYS 110          2HB       CYS 110 -14.765  -3.977  -3.301
 1061   2HB   CYS 110          1HB       CYS 110 -13.311  -4.876  -3.694
 1062    HG   CYS 110           HG       CYS 110 -14.382  -6.363  -5.390
 1063    QB   CYS 110           QB       CYS 110 -14.038  -4.427  -3.498
 1064    H    SER 111           H        SER 111 -15.489  -7.676  -1.478
 1065    HA   SER 111           HA       SER 111 -13.153  -9.303  -1.092
 1066   1HB   SER 111          2HB       SER 111 -16.012 -10.228  -1.302
 1067   2HB   SER 111          1HB       SER 111 -14.671 -11.015  -0.493
 1068    HG   SER 111           HG       SER 111 -16.193  -8.839   0.355
 1069    QB   SER 111           QB       SER 111 -15.342 -10.622  -0.897
 1070    H    GLU 112           H        GLU 112 -12.986 -11.358  -2.290
 1071    HA   GLU 112           HA       GLU 112 -13.490 -10.936  -5.130
 1072   1HB   GLU 112          2HB       GLU 112 -11.642 -12.612  -5.461
 1073   2HB   GLU 112          1HB       GLU 112 -11.143 -11.130  -4.673
 1074   1HG   GLU 112          2HG       GLU 112 -10.005 -12.791  -3.496
 1075   2HG   GLU 112          1HG       GLU 112 -11.387 -12.444  -2.475
 1076    QB   GLU 112           QB       GLU 112 -11.393 -11.871  -5.067
 1077    QG   GLU 112           QG       GLU 112 -10.696 -12.618  -2.985
 1078    H    ALA 113           H        ALA 113 -15.485 -11.782  -3.412
 1079    HA   ALA 113           HA       ALA 113 -15.811 -14.561  -3.139
 1080   1HB   ALA 113          1HB       ALA 113 -18.048 -14.063  -2.394
 1081   2HB   ALA 113          3HB       ALA 113 -16.927 -12.869  -1.742
 1082   3HB   ALA 113          2HB       ALA 113 -17.958 -12.455  -3.108
 1083    MB   ALA 113           QB       ALA 113 -17.645 -13.129  -2.414
 1084    H    ASP 114           H        ASP 114 -16.136 -12.719  -5.892
 1085    HA   ASP 114           HA       ASP 114 -17.967 -14.653  -7.147
 1086   1HB   ASP 114          2HB       ASP 114 -16.935 -11.999  -8.126
 1087   2HB   ASP 114          1HB       ASP 114 -17.871 -13.092  -9.140
 1088    QB   ASP 114           QB       ASP 114 -17.403 -12.545  -8.633
 1089    H    MET 115           H        MET 115 -14.746 -14.127  -6.712
 1090    HA   MET 115           HA       MET 115 -13.997 -15.533  -9.171
 1091   1HB   MET 115          2HB       MET 115 -12.331 -13.942  -7.209
 1092   2HB   MET 115          1HB       MET 115 -11.638 -14.919  -8.492
 1093   1HG   MET 115          2HG       MET 115 -13.470 -12.567  -8.858
 1094   2HG   MET 115          1HG       MET 115 -11.727 -12.574  -9.110
 1095   1HE   MET 115          2HE       MET 115 -13.718 -11.534 -11.299
 1096   2HE   MET 115          1HE       MET 115 -11.974 -11.621 -11.568
 1097   3HE   MET 115          3HE       MET 115 -13.092 -12.295 -12.759
 1098    QB   MET 115           QB       MET 115 -11.984 -14.431  -7.851
 1099    QG   MET 115           QG       MET 115 -12.598 -12.571  -8.984
 1100    ME   MET 115           QE       MET 115 -12.928 -11.817 -11.875
 1101    H    ARG 116           H        ARG 116 -13.001 -15.385  -5.740
 1102    HA   ARG 116           HA       ARG 116 -12.615 -16.916  -4.172
 1103   1HB   ARG 116          2HB       ARG 116 -14.357 -18.576  -5.972
 1104   2HB   ARG 116          1HB       ARG 116 -13.847 -19.095  -4.364
 1105   1HG   ARG 116          2HG       ARG 116 -15.049 -17.343  -3.326
 1106   2HG   ARG 116          1HG       ARG 116 -15.258 -16.509  -4.850
 1107   1HD   ARG 116          2HD       ARG 116 -17.275 -17.691  -3.970
 1108   2HD   ARG 116          1HD       ARG 116 -16.834 -18.044  -5.636
 1109    HE   ARG 116           HE       ARG 116 -15.740 -20.089  -4.613
 1110   1HH1  ARG 116          1HH1      ARG 116 -18.574 -18.617  -3.083
 1111   2HH1  ARG 116          2HH1      ARG 116 -19.317 -20.101  -2.693
 1112   1HH2  ARG 116          1HH2      ARG 116 -16.725 -22.105  -4.056
 1113   2HH2  ARG 116          2HH2      ARG 116 -18.245 -22.146  -3.288
 1114    QB   ARG 116           QB       ARG 116 -14.102 -18.836  -5.168
 1115    QG   ARG 116           QG       ARG 116 -15.154 -16.926  -4.088
 1116    QD   ARG 116           QD       ARG 116 -17.055 -17.867  -4.803
 1117    QH1  ARG 116           QH1      ARG 116 -18.945 -19.359  -2.888
 1118    QH2  ARG 116           QH2      ARG 116 -17.485 -22.126  -3.672
 1119    H    SER 117           H        SER 117 -11.061 -16.888  -6.868
 1120    HA   SER 117           HA       SER 117  -9.984 -19.529  -6.962
 1121   1HB   SER 117          2HB       SER 117  -8.631 -18.351  -8.842
 1122   2HB   SER 117          1HB       SER 117 -10.358 -18.644  -9.066
 1123    HG   SER 117           HG       SER 117  -9.040 -16.296  -9.039
 1124    QB   SER 117           QB       SER 117  -9.494 -18.497  -8.954
 1125    H    LEU 118           H        LEU 118  -9.365 -16.837  -5.077
 1126    HA   LEU 118           HA       LEU 118  -6.486 -17.122  -5.169
 1127   1HB   LEU 118          2HB       LEU 118  -8.170 -15.317  -3.437
 1128   2HB   LEU 118          1HB       LEU 118  -6.423 -15.286  -3.546
 1129    HG   LEU 118           HG       LEU 118  -8.390 -14.550  -5.708
 1130   1HD1  LEU 118          3HD1      LEU 118  -8.083 -12.867  -3.956
 1131   2HD1  LEU 118          2HD1      LEU 118  -6.343 -12.903  -4.239
 1132   3HD1  LEU 118          1HD1      LEU 118  -7.428 -12.334  -5.506
 1133   1HD2  LEU 118          3HD2      LEU 118  -5.368 -14.638  -5.844
 1134   2HD2  LEU 118          2HD2      LEU 118  -6.485 -15.679  -6.730
 1135   3HD2  LEU 118          1HD2      LEU 118  -6.431 -13.955  -7.074
 1136    MD1  LEU 118           QD1      LEU 118  -7.285 -12.701  -4.567
 1137    MD2  LEU 118           QD2      LEU 118  -6.094 -14.758  -6.549
 1138    QB   LEU 118           QB       LEU 118  -7.296 -15.302  -3.492
 1139    QD   LEU 118           QQD      LEU 118  -6.690 -13.729  -5.558
 1140    H    GLY 119           H        GLY 119  -8.746 -18.941  -3.779
 1141   1HA   GLY 119          1HA       GLY 119  -7.297 -19.299  -1.264
 1142   2HA   GLY 119          2HA       GLY 119  -7.187 -20.611  -2.418
 1143    QA   GLY 119           QA       GLY 119  -7.242 -19.955  -1.841
 1144    H    LEU 120           H        LEU 120 -10.131 -18.805  -2.136
 1145    HA   LEU 120           HA       LEU 120 -11.337 -20.331  -0.096
 1146   1HB   LEU 120          2HB       LEU 120 -12.105 -18.081  -1.050
 1147   2HB   LEU 120          1HB       LEU 120 -12.847 -19.018  -2.342
 1148    HG   LEU 120           HG       LEU 120 -14.114 -20.259  -0.561
 1149   1HD1  LEU 120          2HD1      LEU 120 -13.062 -18.036   1.158
 1150   2HD1  LEU 120          1HD1      LEU 120 -14.333 -19.174   1.605
 1151   3HD1  LEU 120          3HD1      LEU 120 -12.696 -19.750   1.313
 1152   1HD2  LEU 120          3HD2      LEU 120 -14.583 -17.290  -0.891
 1153   2HD2  LEU 120          2HD2      LEU 120 -15.267 -18.604  -1.856
 1154   3HD2  LEU 120          1HD2      LEU 120 -15.748 -18.414  -0.186
 1155    MD1  LEU 120           QD1      LEU 120 -13.363 -18.987   1.359
 1156    MD2  LEU 120           QD2      LEU 120 -15.199 -18.103  -0.978
 1157    QB   LEU 120           QB       LEU 120 -12.476 -18.549  -1.696
 1158    QD   LEU 120           QQD      LEU 120 -14.281 -18.545   0.191
 1159    H    ALA 121           H        ALA 121 -11.648 -20.486  -3.610
 1160    HA   ALA 121           HA       ALA 121 -12.523 -21.979  -5.033
 1161   1HB   ALA 121          3HB       ALA 121 -10.912 -23.853  -3.320
 1162   2HB   ALA 121          2HB       ALA 121 -11.413 -24.113  -5.005
 1163   3HB   ALA 121          1HB       ALA 121 -10.319 -22.792  -4.578
 1164    MB   ALA 121           QB       ALA 121 -10.881 -23.586  -4.301
 1165    H    GLU 122           H        GLU 122 -12.637 -24.151  -2.927
 1166    HA   GLU 122           HA       GLU 122 -15.146 -25.271  -3.699
 1167   1HB   GLU 122          2HB       GLU 122 -13.443 -26.608  -2.496
 1168   2HB   GLU 122          1HB       GLU 122 -13.851 -25.747  -1.018
 1169   1HG   GLU 122          2HG       GLU 122 -16.219 -26.570  -1.354
 1170   2HG   GLU 122          1HG       GLU 122 -15.569 -27.627  -2.599
 1171    QB   GLU 122           QB       GLU 122 -13.647 -26.178  -1.757
 1172    QG   GLU 122           QG       GLU 122 -15.894 -27.099  -1.976
 1173    H    SER 123           H        SER 123 -14.420 -23.615  -0.587
 1174    HA   SER 123           HA       SER 123 -16.784 -22.120  -0.578
 1175   1HB   SER 123          2HB       SER 123 -18.047 -23.331   1.190
 1176   2HB   SER 123          1HB       SER 123 -17.858 -24.325  -0.250
 1177    HG   SER 123           HG       SER 123 -15.910 -25.153   0.893
 1178    QB   SER 123           QB       SER 123 -17.952 -23.828   0.470
 1179    H    ARG 124           H        ARG 124 -17.197 -21.737   2.030
 1180    HA   ARG 124           HA       ARG 124 -14.575 -20.903   3.090
 1181   1HB   ARG 124          2HB       ARG 124 -15.654 -18.978   4.096
 1182   2HB   ARG 124          1HB       ARG 124 -16.152 -19.017   2.415
 1183   1HG   ARG 124          2HG       ARG 124 -17.862 -20.181   4.596
 1184   2HG   ARG 124          1HG       ARG 124 -17.910 -18.473   4.179
 1185   1HD   ARG 124          2HD       ARG 124 -18.858 -18.884   2.115
 1186   2HD   ARG 124          1HD       ARG 124 -18.282 -20.540   2.015
 1187    HE   ARG 124           HE       ARG 124 -20.034 -20.269   4.188
 1188   1HH1  ARG 124          1HH1      ARG 124 -20.241 -20.155   0.633
 1189   2HH1  ARG 124          2HH1      ARG 124 -21.753 -20.923   0.570
 1190   1HH2  ARG 124          1HH2      ARG 124 -22.122 -21.338   4.065
 1191   2HH2  ARG 124          2HH2      ARG 124 -22.823 -21.633   2.543
 1192    QB   ARG 124           QB       ARG 124 -15.903 -18.998   3.256
 1193    QG   ARG 124           QG       ARG 124 -17.886 -19.327   4.388
 1194    QD   ARG 124           QD       ARG 124 -18.570 -19.712   2.065
 1195    QH1  ARG 124           QH1      ARG 124 -20.997 -20.539   0.601
 1196    QH2  ARG 124           QH2      ARG 124 -22.473 -21.485   3.304
 1197    H    GLN 125           H        GLN 125 -16.471 -23.354   3.381
 1198    HA   GLN 125           HA       GLN 125 -17.525 -24.655   4.870
 1199   1HB   GLN 125          2HB       GLN 125 -15.105 -24.623   5.583
 1200   2HB   GLN 125          1HB       GLN 125 -15.561 -23.387   6.726
 1201   1HG   GLN 125          2HG       GLN 125 -16.492 -26.285   6.707
 1202   2HG   GLN 125          1HG       GLN 125 -15.265 -25.640   7.779
 1203   1HE2  GLN 125          1HE2      GLN 125 -18.625 -26.015   7.148
 1204   2HE2  GLN 125          2HE2      GLN 125 -19.194 -25.353   8.615
 1205    QB   GLN 125           QB       GLN 125 -15.333 -24.005   6.155
 1206    QG   GLN 125           QG       GLN 125 -15.878 -25.963   7.243
 1207    QE   GLN 125           QE2      GLN 125 -18.910 -25.684   7.881

  No H/Q in entry =        1207
  Start of MODEL   17
    1    H1   LEU   5          2HT       LEU   5  -1.797  41.337 -17.578
    2    H2   LEU   5          1HT       LEU   5  -2.453  41.501 -19.139
    3    H3   LEU   5          3HT       LEU   5  -3.447  41.227 -17.800
    4    HA   LEU   5           HA       LEU   5  -3.209  39.215 -19.063
    5   1HB   LEU   5          2HB       LEU   5  -0.952  39.722 -19.955
    6   2HB   LEU   5          1HB       LEU   5  -0.314  39.550 -18.329
    7    HG   LEU   5           HG       LEU   5  -0.940  37.153 -18.366
    8   1HD1  LEU   5          1HD1      LEU   5  -1.616  37.685 -21.248
    9   2HD1  LEU   5          3HD1      LEU   5  -1.503  36.097 -20.490
   10   3HD1  LEU   5          2HD1      LEU   5  -2.744  37.237 -19.969
   11   1HD2  LEU   5          3HD2      LEU   5   0.859  38.053 -20.613
   12   2HD2  LEU   5          2HD2      LEU   5   1.325  37.830 -18.927
   13   3HD2  LEU   5          1HD2      LEU   5   0.840  36.441 -19.896
   14    MD1  LEU   5           QD1      LEU   5  -1.954  37.006 -20.569
   15    MD2  LEU   5           QD2      LEU   5   1.008  37.441 -19.812
   16    QB   LEU   5           QB       LEU   5  -0.633  39.636 -19.142
   17    QD   LEU   5           QQD      LEU   5  -0.473  37.224 -20.190
   18    H    GLU   6           H        GLU   6  -3.658  37.468 -17.854
   19    HA   GLU   6           HA       GLU   6  -3.520  37.847 -15.028
   20   1HB   GLU   6          2HB       GLU   6  -5.569  36.965 -16.190
   21   2HB   GLU   6          1HB       GLU   6  -4.565  35.541 -16.530
   22   1HG   GLU   6          2HG       GLU   6  -6.186  35.399 -14.671
   23   2HG   GLU   6          1HG       GLU   6  -4.519  34.935 -14.274
   24    QB   GLU   6           QB       GLU   6  -5.067  36.253 -16.360
   25    QG   GLU   6           QG       GLU   6  -5.353  35.167 -14.473
   26    H    ALA   7           H        ALA   7  -2.575  36.410 -13.616
   27    HA   ALA   7           HA       ALA   7   0.001  35.524 -14.531
   28   1HB   ALA   7          2HB       ALA   7  -0.246  36.598 -12.349
   29   2HB   ALA   7          1HB       ALA   7  -1.245  35.246 -11.802
   30   3HB   ALA   7          3HB       ALA   7   0.450  34.983 -12.216
   31    MB   ALA   7           QB       ALA   7  -0.347  35.609 -12.122
   32    H    ASP   8           H        ASP   8   0.656  33.575 -14.958
   33    HA   ASP   8           HA       ASP   8  -1.154  31.459 -15.449
   34   1HB   ASP   8          2HB       ASP   8   0.938  31.727 -16.712
   35   2HB   ASP   8          1HB       ASP   8   1.866  31.431 -15.247
   36    QB   ASP   8           QB       ASP   8   1.402  31.579 -15.979
   37    H    VAL   9           H        VAL   9  -1.766  29.741 -14.187
   38    HA   VAL   9           HA       VAL   9  -1.438  29.943 -11.533
   39    HB   VAL   9           HB       VAL   9  -2.630  27.772 -11.304
   40   1HG1  VAL   9          1HG1      VAL   9  -3.849  29.866 -11.476
   41   2HG1  VAL   9          3HG1      VAL   9  -3.795  29.769 -13.238
   42   3HG1  VAL   9          2HG1      VAL   9  -4.711  28.582 -12.314
   43   1HG2  VAL   9          3HG2      VAL   9  -2.457  27.865 -14.288
   44   2HG2  VAL   9          2HG2      VAL   9  -1.710  26.675 -13.221
   45   3HG2  VAL   9          1HG2      VAL   9  -3.482  26.737 -13.375
   46    MG1  VAL   9           QG1      VAL   9  -4.118  29.406 -12.342
   47    MG2  VAL   9           QG2      VAL   9  -2.549  27.092 -13.628
   48    QG   VAL   9           QQG      VAL   9  -3.334  28.249 -12.985
   49    H    THR  10           H        THR  10   0.710  28.572 -13.703
   50    HA   THR  10           HA       THR  10   2.450  27.252 -13.722
   51    HB   THR  10           HB       THR  10   3.868  27.093 -11.858
   52    HG1  THR  10          1HG       THR  10   1.623  27.738 -10.438
   53   1HG2  THR  10          2HG2      THR  10   2.743  29.846 -12.282
   54   2HG2  THR  10          1HG2      THR  10   4.305  29.523 -11.524
   55   3HG2  THR  10          3HG2      THR  10   4.020  29.059 -13.202
   56    MG   THR  10           QG2      THR  10   3.690  29.476 -12.336
   57    H    MET  11           H        MET  11   3.614  25.250 -12.449
   58    HA   MET  11           HA       MET  11   1.661  23.247 -12.830
   59   1HB   MET  11          2HB       MET  11   4.566  23.122 -11.993
   60   2HB   MET  11          1HB       MET  11   3.555  21.709 -12.232
   61   1HG   MET  11          2HG       MET  11   4.884  22.001 -14.172
   62   2HG   MET  11          1HG       MET  11   3.229  22.458 -14.560
   63   1HE   MET  11          1HE       MET  11   3.932  23.661 -16.760
   64   2HE   MET  11          3HE       MET  11   5.212  24.866 -16.876
   65   3HE   MET  11          2HE       MET  11   5.610  23.190 -16.495
   66    QB   MET  11           QB       MET  11   4.061  22.415 -12.113
   67    QG   MET  11           QG       MET  11   4.056  22.229 -14.366
   68    ME   MET  11           QE       MET  11   4.918  23.906 -16.710
   69    H    THR  12           H        THR  12   0.356  22.471 -11.351
   70    HA   THR  12           HA       THR  12   0.613  23.310  -8.609
   71    HB   THR  12           HB       THR  12  -1.485  22.237  -8.413
   72    HG1  THR  12          1HG       THR  12  -2.511  21.758 -10.574
   73   1HG2  THR  12          3HG2      THR  12  -1.220  24.289 -10.613
   74   2HG2  THR  12          2HG2      THR  12  -2.728  23.933  -9.777
   75   3HG2  THR  12          1HG2      THR  12  -1.365  24.605  -8.883
   76    MG   THR  12           QG2      THR  12  -1.771  24.276  -9.757
   77    H    GLY  13           H        GLY  13   1.840  20.784 -10.308
   78   1HA   GLY  13          1HA       GLY  13   1.485  18.461  -9.138
   79   2HA   GLY  13          2HA       GLY  13   2.293  19.344  -7.846
   80    QA   GLY  13           QA       GLY  13   1.889  18.902  -8.492
   81    H    SER  14           H        SER  14   4.437  19.715  -7.983
   82    HA   SER  14           HA       SER  14   5.855  18.370 -10.219
   83   1HB   SER  14          2HB       SER  14   6.699  20.901  -8.836
   84   2HB   SER  14          1HB       SER  14   7.526  20.104 -10.171
   85    HG   SER  14           HG       SER  14   5.534  20.462 -11.375
   86    QB   SER  14           QB       SER  14   7.113  20.503  -9.504
   87    H    ASP  15           H        ASP  15   5.512  18.942  -6.821
   88    HA   ASP  15           HA       ASP  15   8.083  17.914  -6.101
   89   1HB   ASP  15          2HB       ASP  15   7.400  18.832  -3.955
   90   2HB   ASP  15          1HB       ASP  15   7.545  20.117  -5.121
   91    QB   ASP  15           QB       ASP  15   7.472  19.474  -4.538
   92    H    LEU  16           H        LEU  16   6.416  16.202  -7.046
   93    HA   LEU  16           HA       LEU  16   5.583  14.714  -4.703
   94   1HB   LEU  16          2HB       LEU  16   4.416  14.584  -7.454
   95   2HB   LEU  16          1HB       LEU  16   3.945  13.588  -6.089
   96    HG   LEU  16           HG       LEU  16   2.273  15.093  -6.364
   97   1HD1  LEU  16          3HD1      LEU  16   2.835  14.969  -4.060
   98   2HD1  LEU  16          2HD1      LEU  16   3.954  16.325  -4.240
   99   3HD1  LEU  16          1HD1      LEU  16   2.222  16.575  -4.463
  100   1HD2  LEU  16          1HD2      LEU  16   4.261  17.279  -6.728
  101   2HD2  LEU  16          3HD2      LEU  16   3.188  16.545  -7.927
  102   3HD2  LEU  16          2HD2      LEU  16   2.510  17.505  -6.607
  103    MD1  LEU  16           QD1      LEU  16   3.004  15.956  -4.254
  104    MD2  LEU  16           QD2      LEU  16   3.320  17.110  -7.087
  105    QB   LEU  16           QB       LEU  16   4.180  14.086  -6.771
  106    QD   LEU  16           QQD      LEU  16   3.162  16.533  -5.671
  107    H    VAL  17           H        VAL  17   5.560  12.532  -4.949
  108    HA   VAL  17           HA       VAL  17   7.591  11.561  -6.553
  109    HB   VAL  17           HB       VAL  17   7.799  11.862  -3.598
  110   1HG1  VAL  17          1HG1      VAL  17   8.895   9.768  -5.242
  111   2HG1  VAL  17          3HG1      VAL  17   9.671  10.189  -3.684
  112   3HG1  VAL  17          2HG1      VAL  17   7.955   9.632  -3.686
  113   1HG2  VAL  17          1HG2      VAL  17   9.076  13.376  -5.085
  114   2HG2  VAL  17          3HG2      VAL  17  10.118  12.417  -4.036
  115   3HG2  VAL  17          2HG2      VAL  17   9.929  11.964  -5.722
  116    MG1  VAL  17           QG1      VAL  17   8.840   9.863  -4.204
  117    MG2  VAL  17           QG2      VAL  17   9.708  12.585  -4.948
  118    QG   VAL  17           QQG      VAL  17   9.274  11.224  -4.576
  119    H    SER  18           H        SER  18   7.352   9.279  -6.601
  120    HA   SER  18           HA       SER  18   5.032   8.059  -5.237
  121   1HB   SER  18          2HB       SER  18   5.991   7.488  -8.051
  122   2HB   SER  18          1HB       SER  18   4.871   6.447  -7.180
  123    HG   SER  18           HG       SER  18   3.739   8.585  -6.892
  124    QB   SER  18           QB       SER  18   5.431   6.968  -7.616
  125    H    CYS  19           H        CYS  19   5.813   6.836  -3.724
  126    HA   CYS  19           HA       CYS  19   8.136   5.180  -4.274
  127   1HB   CYS  19          2HB       CYS  19   6.523   5.583  -1.736
  128   2HB   CYS  19          1HB       CYS  19   7.980   4.601  -1.870
  129    HG   CYS  19           HG       CYS  19   9.717   6.511  -1.604
  130    QB   CYS  19           QB       CYS  19   7.251   5.092  -1.803
  131    H    CYS  20           H        CYS  20   7.753   3.289  -5.166
  132    HA   CYS  20           HA       CYS  20   5.007   2.210  -5.008
  133   1HB   CYS  20          2HB       CYS  20   7.070   1.766  -7.171
  134   2HB   CYS  20          1HB       CYS  20   5.366   1.324  -7.207
  135    HG   CYS  20           HG       CYS  20   6.638   4.490  -7.310
  136    QB   CYS  20           QB       CYS  20   6.218   1.545  -7.189
  137    H    TYR  21           H        TYR  21   5.064   0.542  -3.543
  138    HA   TYR  21           HA       TYR  21   7.651  -0.810  -3.445
  139   1HB   TYR  21          2HB       TYR  21   7.555  -1.001  -1.190
  140   2HB   TYR  21          1HB       TYR  21   7.018   0.642  -1.492
  141    HD1  TYR  21          1HD       TYR  21   5.774  -2.770  -0.606
  142    HD2  TYR  21          2HD       TYR  21   5.148   1.428  -0.416
  143    HE1  TYR  21          1HE       TYR  21   3.991  -3.121   1.021
  144    HE2  TYR  21          2HE       TYR  21   3.386   1.111   1.191
  145    HH   TYR  21           HH       TYR  21   1.771  -0.807   1.933
  146    QB   TYR  21           QB       TYR  21   7.287  -0.180  -1.341
  147    QD   TYR  21           QD       TYR  21   5.461  -0.671  -0.511
  148    QE   TYR  21           QE       TYR  21   3.689  -1.005   1.106
  149    QR   TYR  21           QR       TYR  21   4.575  -0.838   0.297
  150    H    ARG  22           H        ARG  22   7.574  -2.945  -2.609
  151    HA   ARG  22           HA       ARG  22   5.056  -4.351  -3.141
  152   1HB   ARG  22          2HB       ARG  22   6.246  -6.194  -3.991
  153   2HB   ARG  22          1HB       ARG  22   6.957  -4.784  -4.759
  154   1HG   ARG  22          2HG       ARG  22   8.854  -4.842  -3.334
  155   2HG   ARG  22          1HG       ARG  22   8.116  -6.085  -2.319
  156   1HD   ARG  22          2HD       ARG  22   8.035  -7.494  -4.356
  157   2HD   ARG  22          1HD       ARG  22   9.074  -6.273  -5.120
  158    HE   ARG  22           HE       ARG  22  10.122  -7.171  -2.614
  159   1HH1  ARG  22          1HH1      ARG  22   9.889  -8.122  -6.003
  160   2HH1  ARG  22          2HH1      ARG  22  11.273  -9.112  -5.971
  161   1HH2  ARG  22          1HH2      ARG  22  12.045  -8.360  -2.587
  162   2HH2  ARG  22          2HH2      ARG  22  12.576  -9.250  -3.948
  163    QB   ARG  22           QB       ARG  22   6.601  -5.489  -4.375
  164    QG   ARG  22           QG       ARG  22   8.485  -5.464  -2.827
  165    QD   ARG  22           QD       ARG  22   8.554  -6.883  -4.738
  166    QH1  ARG  22           QH1      ARG  22  10.581  -8.617  -5.987
  167    QH2  ARG  22           QH2      ARG  22  12.311  -8.805  -3.267
  168    H    SER  23           H        SER  23   4.813  -6.191  -1.811
  169    HA   SER  23           HA       SER  23   6.811  -6.682   0.176
  170   1HB   SER  23          2HB       SER  23   3.942  -6.131   0.973
  171   2HB   SER  23          1HB       SER  23   5.179  -6.813   2.034
  172    HG   SER  23           HG       SER  23   5.853  -4.507   0.732
  173    QB   SER  23           QB       SER  23   4.560  -6.472   1.503
  174    H    LEU  24           H        LEU  24   6.686  -8.823   0.884
  175    HA   LEU  24           HA       LEU  24   4.985 -10.464  -0.815
  176   1HB   LEU  24          2HB       LEU  24   7.296 -11.128   0.989
  177   2HB   LEU  24          1HB       LEU  24   6.277 -12.393   0.340
  178    HG   LEU  24           HG       LEU  24   8.315 -12.227  -0.945
  179   1HD1  LEU  24          2HD1      LEU  24   6.314 -12.875  -2.115
  180   2HD1  LEU  24          1HD1      LEU  24   5.997 -11.189  -2.528
  181   3HD1  LEU  24          3HD1      LEU  24   7.425 -12.004  -3.173
  182   1HD2  LEU  24          1HD2      LEU  24   8.848  -9.847  -0.532
  183   2HD2  LEU  24          3HD2      LEU  24   8.922 -10.263  -2.246
  184   3HD2  LEU  24          2HD2      LEU  24   7.526  -9.395  -1.622
  185    MD1  LEU  24           QD1      LEU  24   6.579 -12.022  -2.605
  186    MD2  LEU  24           QD2      LEU  24   8.432  -9.835  -1.467
  187    QB   LEU  24           QB       LEU  24   6.786 -11.760   0.665
  188    QD   LEU  24           QQD      LEU  24   7.505 -10.929  -2.036
  189    H    ALA  25           H        ALA  25   3.565  -9.046   0.918
  190    HA   ALA  25           HA       ALA  25   2.544  -9.006   3.157
  191   1HB   ALA  25          1HB       ALA  25   1.081  -8.880   1.175
  192   2HB   ALA  25          3HB       ALA  25   0.796 -10.620   1.330
  193   3HB   ALA  25          2HB       ALA  25   0.316  -9.512   2.621
  194    MB   ALA  25           QB       ALA  25   0.731  -9.671   1.709
  195    H    ALA  26           H        ALA  26   2.751  -9.997   5.182
  196    HA   ALA  26           HA       ALA  26   3.656 -12.519   5.283
  197   1HB   ALA  26          2HB       ALA  26   4.192 -10.815   6.886
  198   2HB   ALA  26          1HB       ALA  26   2.504 -10.704   7.389
  199   3HB   ALA  26          3HB       ALA  26   3.418 -12.180   7.705
  200    MB   ALA  26           QB       ALA  26   3.371 -11.233   7.327
  201    HA   PRO  27           HA       PRO  27  -0.255 -14.600   4.805
  202   1HB   PRO  27          2HB       PRO  27   0.682 -17.042   5.527
  203   2HB   PRO  27          1HB       PRO  27   1.033 -16.312   3.950
  204   1HG   PRO  27          2HG       PRO  27   2.669 -16.029   6.469
  205   2HG   PRO  27          1HG       PRO  27   3.237 -16.738   4.904
  206   1HD   PRO  27          2HD       PRO  27   3.772 -14.364   5.573
  207   2HD   PRO  27          1HD       PRO  27   3.041 -14.575   3.961
  208    QB   PRO  27           QB       PRO  27   0.857 -16.677   4.739
  209    QG   PRO  27           QG       PRO  27   2.953 -16.383   5.687
  210    QD   PRO  27           QD       PRO  27   3.406 -14.469   4.767
  211    H    ASP  28           H        ASP  28   1.312 -13.950   7.537
  212    HA   ASP  28           HA       ASP  28  -0.515 -15.473   9.254
  213   1HB   ASP  28          2HB       ASP  28   1.023 -14.981  11.152
  214   2HB   ASP  28          1HB       ASP  28   1.760 -15.914   9.860
  215    QB   ASP  28           QB       ASP  28   1.392 -15.447  10.506
  216    H    LEU  29           H        LEU  29  -0.643 -12.668   7.850
  217    HA   LEU  29           HA       LEU  29  -1.240 -10.976  10.078
  218   1HB   LEU  29          2HB       LEU  29  -1.851 -10.649   7.155
  219   2HB   LEU  29          1HB       LEU  29  -2.141  -9.421   8.371
  220    HG   LEU  29           HG       LEU  29   0.500 -10.488   7.412
  221   1HD1  LEU  29          2HD1      LEU  29  -0.775  -8.910   5.995
  222   2HD1  LEU  29          1HD1      LEU  29  -0.650  -7.718   7.283
  223   3HD1  LEU  29          3HD1      LEU  29   0.820  -8.322   6.497
  224   1HD2  LEU  29          3HD2      LEU  29  -0.066  -8.455   9.572
  225   2HD2  LEU  29          2HD2      LEU  29   0.669 -10.049   9.795
  226   3HD2  LEU  29          1HD2      LEU  29   1.519  -8.807   8.888
  227    MD1  LEU  29           QD1      LEU  29  -0.202  -8.317   6.592
  228    MD2  LEU  29           QD2      LEU  29   0.707  -9.104   9.418
  229    QB   LEU  29           QB       LEU  29  -1.996 -10.035   7.763
  230    QD   LEU  29           QQD      LEU  29   0.253  -8.710   8.005
  231    H    THR  30           H        THR  30  -3.402  -9.847  10.082
  232    HA   THR  30           HA       THR  30  -5.586 -11.769   9.809
  233    HB   THR  30           HB       THR  30  -6.371  -9.945  11.462
  234    HG1  THR  30          1HG       THR  30  -4.793  -9.176  12.589
  235   1HG2  THR  30          1HG2      THR  30  -5.119 -12.576  11.949
  236   2HG2  THR  30          3HG2      THR  30  -6.020 -11.683  13.204
  237   3HG2  THR  30          2HG2      THR  30  -6.839 -12.120  11.694
  238    MG   THR  30           QG2      THR  30  -5.993 -12.127  12.282
  239    H    LEU  31           H        LEU  31  -7.413 -11.148   8.971
  240    HA   LEU  31           HA       LEU  31  -7.544  -9.130   7.016
  241   1HB   LEU  31          2HB       LEU  31  -9.039 -11.144   7.292
  242   2HB   LEU  31          1HB       LEU  31  -9.661 -10.207   8.663
  243    HG   LEU  31           HG       LEU  31 -10.560  -8.515   7.221
  244   1HD1  LEU  31          2HD1      LEU  31  -8.906  -8.552   5.465
  245   2HD1  LEU  31          1HD1      LEU  31  -9.514 -10.115   4.886
  246   3HD1  LEU  31          3HD1      LEU  31 -10.536  -8.673   4.828
  247   1HD2  LEU  31          3HD2      LEU  31 -11.944 -10.424   7.715
  248   2HD2  LEU  31          2HD2      LEU  31 -12.301  -9.787   6.108
  249   3HD2  LEU  31          1HD2      LEU  31 -11.342 -11.261   6.284
  250    MD1  LEU  31           QD1      LEU  31  -9.652  -9.113   5.060
  251    MD2  LEU  31           QD2      LEU  31 -11.862 -10.490   6.702
  252    QB   LEU  31           QB       LEU  31  -9.350 -10.675   7.978
  253    QD   LEU  31           QQD      LEU  31 -10.757  -9.802   5.881
  254    H    ARG  32           H        ARG  32  -8.674  -9.079  10.395
  255    HA   ARG  32           HA       ARG  32  -9.868  -6.544  10.044
  256   1HB   ARG  32          2HB       ARG  32 -10.478  -7.794  12.012
  257   2HB   ARG  32          1HB       ARG  32  -8.813  -7.787  12.586
  258   1HG   ARG  32          2HG       ARG  32 -10.076  -6.126  13.853
  259   2HG   ARG  32          1HG       ARG  32  -8.925  -5.331  12.759
  260   1HD   ARG  32          2HD       ARG  32 -10.749  -5.035  11.125
  261   2HD   ARG  32          1HD       ARG  32 -11.893  -5.618  12.332
  262    HE   ARG  32           HE       ARG  32 -10.997  -3.713  13.723
  263   1HH1  ARG  32          1HH1      ARG  32 -11.317  -3.570  10.185
  264   2HH1  ARG  32          2HH1      ARG  32 -11.218  -1.852  10.149
  265   1HH2  ARG  32          1HH2      ARG  32 -10.933  -1.349  13.575
  266   2HH2  ARG  32          2HH2      ARG  32 -11.004  -0.634  12.008
  267    QB   ARG  32           QB       ARG  32  -9.645  -7.790  12.299
  268    QG   ARG  32           QG       ARG  32  -9.501  -5.729  13.306
  269    QD   ARG  32           QD       ARG  32 -11.321  -5.326  11.729
  270    QH1  ARG  32           QH1      ARG  32 -11.268  -2.711  10.167
  271    QH2  ARG  32           QH2      ARG  32 -10.968  -0.991  12.791
  272    H    ASP  33           H        ASP  33  -6.625  -7.470  10.652
  273    HA   ASP  33           HA       ASP  33  -5.703  -4.861  11.283
  274   1HB   ASP  33          2HB       ASP  33  -4.219  -7.379  10.489
  275   2HB   ASP  33          1HB       ASP  33  -3.430  -5.902  11.019
  276    QB   ASP  33           QB       ASP  33  -3.824  -6.641  10.754
  277    H    LEU  34           H        LEU  34  -6.204  -6.645   8.243
  278    HA   LEU  34           HA       LEU  34  -4.731  -4.659   6.645
  279   1HB   LEU  34          2HB       LEU  34  -6.916  -6.586   5.805
  280   2HB   LEU  34          1HB       LEU  34  -6.210  -5.425   4.715
  281    HG   LEU  34           HG       LEU  34  -5.304  -7.582   4.259
  282   1HD1  LEU  34          3HD1      LEU  34  -3.755  -5.738   4.021
  283   2HD1  LEU  34          2HD1      LEU  34  -3.250  -5.935   5.701
  284   3HD1  LEU  34          1HD1      LEU  34  -2.922  -7.207   4.531
  285   1HD2  LEU  34          1HD2      LEU  34  -5.812  -8.475   6.428
  286   2HD2  LEU  34          3HD2      LEU  34  -4.188  -8.931   5.884
  287   3HD2  LEU  34          2HD2      LEU  34  -4.399  -7.640   7.095
  288    MD1  LEU  34           QD1      LEU  34  -3.309  -6.293   4.751
  289    MD2  LEU  34           QD2      LEU  34  -4.800  -8.349   6.469
  290    QB   LEU  34           QB       LEU  34  -6.563  -6.006   5.260
  291    QD   LEU  34           QQD      LEU  34  -4.054  -7.321   5.610
  292    H    LEU  35           H        LEU  35  -7.862  -5.199   7.734
  293    HA   LEU  35           HA       LEU  35  -9.069  -3.035   6.400
  294   1HB   LEU  35          2HB       LEU  35  -9.920  -4.827   8.644
  295   2HB   LEU  35          1HB       LEU  35 -10.914  -3.464   8.176
  296    HG   LEU  35           HG       LEU  35 -11.496  -5.806   7.192
  297   1HD1  LEU  35          3HD1      LEU  35 -11.105  -3.440   5.352
  298   2HD1  LEU  35          2HD1      LEU  35 -12.192  -4.802   5.066
  299   3HD1  LEU  35          1HD1      LEU  35 -12.490  -3.701   6.412
  300   1HD2  LEU  35          2HD2      LEU  35  -9.137  -6.288   6.508
  301   2HD2  LEU  35          1HD2      LEU  35 -10.291  -6.441   5.146
  302   3HD2  LEU  35          3HD2      LEU  35  -9.254  -5.018   5.351
  303    MD1  LEU  35           QD1      LEU  35 -11.929  -3.981   5.610
  304    MD2  LEU  35           QD2      LEU  35  -9.561  -5.916   5.668
  305    QB   LEU  35           QB       LEU  35 -10.417  -4.145   8.410
  306    QD   LEU  35           QQD      LEU  35 -10.745  -4.948   5.639
  307    H    ASP  36           H        ASP  36  -7.471  -3.346   9.389
  308    HA   ASP  36           HA       ASP  36  -8.055  -0.622  10.217
  309   1HB   ASP  36          2HB       ASP  36  -7.299  -2.266  11.926
  310   2HB   ASP  36          1HB       ASP  36  -5.720  -2.333  11.150
  311    QB   ASP  36           QB       ASP  36  -6.509  -2.299  11.538
  312    H    ILE  37           H        ILE  37  -5.311  -2.187   8.607
  313    HA   ILE  37           HA       ILE  37  -3.624  -0.131   8.147
  314    HB   ILE  37           HB       ILE  37  -4.355  -2.542   6.532
  315   1HG1  ILE  37          2HG1      ILE  37  -1.615  -1.825   7.286
  316   2HG1  ILE  37          1HG1      ILE  37  -2.582  -2.303   8.620
  317   1HG2  ILE  37          3HG2      ILE  37  -2.389  -0.471   5.571
  318   2HG2  ILE  37          2HG2      ILE  37  -2.576  -2.087   4.887
  319   3HG2  ILE  37          1HG2      ILE  37  -3.901  -0.927   4.786
  320   1HD1  ILE  37          2HD1      ILE  37  -3.080  -4.424   7.351
  321   2HD1  ILE  37          1HD1      ILE  37  -1.903  -3.889   6.143
  322   3HD1  ILE  37          3HD1      ILE  37  -1.418  -4.230   7.810
  323    MG   ILE  37           QG2      ILE  37  -2.955  -1.162   5.081
  324    MD   ILE  37           QD1      ILE  37  -2.134  -4.181   7.101
  325    QG   ILE  37           QG1      ILE  37  -2.098  -2.064   7.953
  326    H    VAL  38           H        VAL  38  -6.299  -1.061   5.996
  327    HA   VAL  38           HA       VAL  38  -6.069   1.062   4.205
  328    HB   VAL  38           HB       VAL  38  -7.529  -0.774   3.554
  329   1HG1  VAL  38          3HG1      VAL  38  -8.255  -1.417   5.717
  330   2HG1  VAL  38          2HG1      VAL  38  -9.329  -0.025   5.811
  331   3HG1  VAL  38          1HG1      VAL  38  -9.613  -1.288   4.600
  332   1HG2  VAL  38          1HG2      VAL  38  -8.191   1.380   2.557
  333   2HG2  VAL  38          3HG2      VAL  38  -9.578   0.332   2.826
  334   3HG2  VAL  38          2HG2      VAL  38  -9.257   1.670   3.922
  335    MG1  VAL  38           QG1      VAL  38  -9.066  -0.910   5.376
  336    MG2  VAL  38           QG2      VAL  38  -9.009   1.127   3.101
  337    QG   VAL  38           QQG      VAL  38  -9.037   0.109   4.239
  338    H    GLU  39           H        GLU  39  -7.827   1.011   7.253
  339    HA   GLU  39           HA       GLU  39  -9.060   3.511   7.017
  340   1HB   GLU  39          2HB       GLU  39  -8.183   1.978   9.456
  341   2HB   GLU  39          1HB       GLU  39  -9.113   3.462   9.534
  342   1HG   GLU  39          2HG       GLU  39 -10.907   2.359   8.241
  343   2HG   GLU  39          1HG       GLU  39  -9.970   0.867   8.273
  344    QB   GLU  39           QB       GLU  39  -8.648   2.720   9.495
  345    QG   GLU  39           QG       GLU  39 -10.438   1.613   8.257
  346    H    THR  40           H        THR  40  -6.052   2.681   8.772
  347    HA   THR  40           HA       THR  40  -5.451   5.373   9.362
  348    HB   THR  40           HB       THR  40  -4.570   3.546  10.748
  349    HG1  THR  40          1HG       THR  40  -3.328   5.199  11.091
  350   1HG2  THR  40          1HG2      THR  40  -2.784   2.870   8.404
  351   2HG2  THR  40          3HG2      THR  40  -2.662   2.173  10.021
  352   3HG2  THR  40          2HG2      THR  40  -4.094   1.875   9.032
  353    MG   THR  40           QG2      THR  40  -3.180   2.306   9.152
  354    H    SER  41           H        SER  41  -4.652   3.348   6.626
  355    HA   SER  41           HA       SER  41  -2.574   4.828   5.514
  356   1HB   SER  41          2HB       SER  41  -3.343   2.524   4.813
  357   2HB   SER  41          1HB       SER  41  -4.717   3.281   4.015
  358    HG   SER  41           HG       SER  41  -3.395   3.442   2.385
  359    QB   SER  41           QB       SER  41  -4.030   2.903   4.414
  360    H    GLN  42           H        GLN  42  -6.042   4.912   4.704
  361    HA   GLN  42           HA       GLN  42  -6.041   7.085   2.934
  362   1HB   GLN  42          2HB       GLN  42  -8.148   6.152   4.835
  363   2HB   GLN  42          1HB       GLN  42  -8.419   7.330   3.563
  364   1HG   GLN  42          2HG       GLN  42  -8.085   5.806   1.894
  365   2HG   GLN  42          1HG       GLN  42  -7.284   4.668   2.978
  366   1HE2  GLN  42          1HE2      GLN  42  -9.372   5.022   5.066
  367   2HE2  GLN  42          2HE2      GLN  42 -10.685   4.118   4.392
  368    QB   GLN  42           QB       GLN  42  -8.283   6.741   4.199
  369    QG   GLN  42           QG       GLN  42  -7.684   5.237   2.436
  370    QE   GLN  42           QE2      GLN  42 -10.029   4.570   4.729
  371    H    ALA  43           H        ALA  43  -6.442   6.949   6.388
  372    HA   ALA  43           HA       ALA  43  -7.321   9.586   6.676
  373   1HB   ALA  43          2HB       ALA  43  -7.245   9.155   8.998
  374   2HB   ALA  43          3HB       ALA  43  -6.057   7.848   8.775
  375   3HB   ALA  43          1HB       ALA  43  -7.699   7.663   8.148
  376    MB   ALA  43           QB       ALA  43  -7.000   8.222   8.640
  377    H    HIS  44           H        HIS  44  -4.045   8.244   7.003
  378    HA   HIS  44           HA       HIS  44  -2.999  10.905   7.592
  379   1HB   HIS  44          2HB       HIS  44  -1.899   8.689   8.420
  380   2HB   HIS  44          1HB       HIS  44  -1.478   8.508   6.711
  381    HD1  HIS  44          1HD       HIS  44   0.979   8.369   8.118
  382    HD2  HIS  44          2HD       HIS  44  -0.716  12.116   7.482
  383    HE1  HIS  44          1HE       HIS  44   2.866  10.000   8.250
  384    HE2  HIS  44          2HE       HIS  44   1.816  12.219   8.197
  385    QB   HIS  44           QB       HIS  44  -1.689   8.598   7.566
  386    H    ASN  45           H        ASN  45  -3.297   8.795   4.792
  387    HA   ASN  45           HA       ASN  45  -1.591  10.402   3.238
  388   1HB   ASN  45          2HB       ASN  45  -3.407   8.132   2.572
  389   2HB   ASN  45          1HB       ASN  45  -2.643   9.076   1.288
  390   1HD2  ASN  45          1HD2      ASN  45  -1.464   7.239   0.671
  391   2HD2  ASN  45          2HD2      ASN  45  -0.104   6.692   1.595
  392    QB   ASN  45           QB       ASN  45  -3.025   8.604   1.930
  393    QD   ASN  45           QD2      ASN  45  -0.784   6.966   1.133
  394    H    ALA  46           H        ALA  46  -5.082  10.314   3.593
  395    HA   ALA  46           HA       ALA  46  -5.698  12.170   1.572
  396   1HB   ALA  46          2HB       ALA  46  -7.728  12.637   2.857
  397   2HB   ALA  46          3HB       ALA  46  -7.012  11.848   4.262
  398   3HB   ALA  46          1HB       ALA  46  -7.417  10.895   2.829
  399    MB   ALA  46           QB       ALA  46  -7.385  11.793   3.316
  400    H    ARG  47           H        ARG  47  -4.773  12.507   4.944
  401    HA   ARG  47           HA       ARG  47  -4.930  15.299   5.134
  402   1HB   ARG  47          2HB       ARG  47  -4.685  13.677   7.040
  403   2HB   ARG  47          1HB       ARG  47  -3.024  13.471   6.454
  404   1HG   ARG  47          2HG       ARG  47  -2.454  15.727   6.927
  405   2HG   ARG  47          1HG       ARG  47  -4.107  16.092   7.437
  406   1HD   ARG  47          2HD       ARG  47  -3.914  14.582   9.290
  407   2HD   ARG  47          1HD       ARG  47  -2.322  14.048   8.749
  408    HE   ARG  47           HE       ARG  47  -2.358  16.833   9.134
  409   1HH1  ARG  47          1HH1      ARG  47  -2.399  13.844  11.013
  410   2HH1  ARG  47          2HH1      ARG  47  -1.530  14.470  12.326
  411   1HH2  ARG  47          1HH2      ARG  47  -1.196  17.734  10.950
  412   2HH2  ARG  47          2HH2      ARG  47  -0.829  16.745  12.290
  413    QB   ARG  47           QB       ARG  47  -3.855  13.574   6.747
  414    QG   ARG  47           QG       ARG  47  -3.280  15.910   7.182
  415    QD   ARG  47           QD       ARG  47  -3.118  14.315   9.019
  416    QH1  ARG  47           QH1      ARG  47  -1.964  14.157  11.670
  417    QH2  ARG  47           QH2      ARG  47  -1.012  17.239  11.620
  418    H    ALA  48           H        ALA  48  -2.147  13.165   4.467
  419    HA   ALA  48           HA       ALA  48  -0.613  15.462   4.100
  420   1HB   ALA  48          2HB       ALA  48   0.429  13.507   5.034
  421   2HB   ALA  48          3HB       ALA  48   1.245  14.058   3.565
  422   3HB   ALA  48          1HB       ALA  48   0.208  12.628   3.512
  423    MB   ALA  48           QB       ALA  48   0.628  13.398   4.037
  424    H    GLN  49           H        GLN  49  -2.814  14.119   2.076
  425    HA   GLN  49           HA       GLN  49  -3.521  14.673  -0.024
  426   1HB   GLN  49          2HB       GLN  49  -0.946  16.221  -0.187
  427   2HB   GLN  49          1HB       GLN  49  -2.280  16.372  -1.359
  428   1HG   GLN  49          2HG       GLN  49  -3.497  17.570   0.137
  429   2HG   GLN  49          1HG       GLN  49  -2.754  16.625   1.460
  430   1HE2  GLN  49          1HE2      GLN  49  -0.961  17.229   2.351
  431   2HE2  GLN  49          2HE2      GLN  49  -0.114  18.680   2.133
  432    QB   GLN  49           QB       GLN  49  -1.613  16.297  -0.773
  433    QG   GLN  49           QG       GLN  49  -3.125  17.098   0.798
  434    QE   GLN  49           QE2      GLN  49  -0.537  17.954   2.242
  435    H    LEU  50           H        LEU  50  -1.761  12.559   0.744
  436    HA   LEU  50           HA       LEU  50  -0.283  11.747  -1.573
  437   1HB   LEU  50          2HB       LEU  50  -0.785  10.683   1.138
  438   2HB   LEU  50          1HB       LEU  50  -0.299   9.558  -0.111
  439    HG   LEU  50           HG       LEU  50   1.736  10.686  -0.448
  440   1HD1  LEU  50          2HD1      LEU  50   1.059  12.990  -0.144
  441   2HD1  LEU  50          1HD1      LEU  50   0.845  12.713   1.581
  442   3HD1  LEU  50          3HD1      LEU  50   2.455  12.612   0.868
  443   1HD2  LEU  50          2HD2      LEU  50   1.581   9.098   1.405
  444   2HD2  LEU  50          1HD2      LEU  50   2.822  10.343   1.659
  445   3HD2  LEU  50          3HD2      LEU  50   1.275  10.449   2.490
  446    MD1  LEU  50           QD1      LEU  50   1.453  12.772   0.768
  447    MD2  LEU  50           QD2      LEU  50   1.893   9.963   1.851
  448    QB   LEU  50           QB       LEU  50  -0.542  10.121   0.514
  449    QD   LEU  50           QQD      LEU  50   1.673  11.367   1.310
  450    H    THR  51           H        THR  51  -1.036  10.693  -3.215
  451    HA   THR  51           HA       THR  51  -3.644   9.485  -2.998
  452    HB   THR  51           HB       THR  51  -3.771   9.886  -5.456
  453    HG1  THR  51          1HG       THR  51  -1.726  10.092  -6.302
  454   1HG2  THR  51          2HG2      THR  51  -4.468  11.414  -3.728
  455   2HG2  THR  51          1HG2      THR  51  -2.896  12.225  -3.814
  456   3HG2  THR  51          3HG2      THR  51  -3.993  12.263  -5.221
  457    MG   THR  51           QG2      THR  51  -3.786  11.967  -4.254
  458    H    GLY  52           H        GLY  52  -3.940   7.436  -4.243
  459   1HA   GLY  52          1HA       GLY  52  -2.313   5.681  -2.915
  460   2HA   GLY  52          2HA       GLY  52  -1.622   5.826  -4.519
  461    QA   GLY  52           QA       GLY  52  -1.968   5.754  -3.717
  462    H    ALA  53           H        ALA  53  -2.116   3.563  -4.103
  463    HA   ALA  53           HA       ALA  53  -4.665   2.509  -4.078
  464   1HB   ALA  53          3HB       ALA  53  -4.854   3.321  -6.414
  465   2HB   ALA  53          1HB       ALA  53  -4.812   1.557  -6.364
  466   3HB   ALA  53          2HB       ALA  53  -3.372   2.468  -6.830
  467    MB   ALA  53           QB       ALA  53  -4.346   2.448  -6.536
  468    H    LEU  54           H        LEU  54  -4.483   0.072  -4.339
  469    HA   LEU  54           HA       LEU  54  -1.788  -0.854  -4.483
  470   1HB   LEU  54          2HB       LEU  54  -1.634  -1.909  -2.355
  471   2HB   LEU  54          1HB       LEU  54  -2.071  -0.238  -2.107
  472    HG   LEU  54           HG       LEU  54  -4.469  -1.094  -1.718
  473   1HD1  LEU  54          2HD1      LEU  54  -2.978  -3.713  -1.438
  474   2HD1  LEU  54          1HD1      LEU  54  -4.628  -3.431  -0.892
  475   3HD1  LEU  54          3HD1      LEU  54  -4.237  -3.346  -2.611
  476   1HD2  LEU  54          1HD2      LEU  54  -2.947  -0.277   0.011
  477   2HD2  LEU  54          3HD2      LEU  54  -4.006  -1.557   0.601
  478   3HD2  LEU  54          2HD2      LEU  54  -2.324  -1.920   0.208
  479    MD1  LEU  54           QD1      LEU  54  -3.947  -3.496  -1.647
  480    MD2  LEU  54           QD2      LEU  54  -3.092  -1.252   0.273
  481    QB   LEU  54           QB       LEU  54  -1.852  -1.073  -2.231
  482    QD   LEU  54           QQD      LEU  54  -3.520  -2.374  -0.687
  483    H    PHE  55           H        PHE  55  -1.605  -2.984  -4.825
  484    HA   PHE  55           HA       PHE  55  -4.082  -4.402  -5.377
  485   1HB   PHE  55          2HB       PHE  55  -1.589  -4.300  -7.103
  486   2HB   PHE  55          1HB       PHE  55  -2.898  -5.449  -7.338
  487    HD1  PHE  55          1HD       PHE  55  -5.027  -4.750  -8.233
  488    HD2  PHE  55          2HD       PHE  55  -1.877  -1.946  -7.656
  489    HE1  PHE  55          1HE       PHE  55  -6.224  -3.122  -9.641
  490    HE2  PHE  55          2HE       PHE  55  -3.068  -0.312  -9.052
  491    HZ   PHE  55           HZ       PHE  55  -5.244  -0.899 -10.048
  492    QB   PHE  55           QB       PHE  55  -2.244  -4.875  -7.221
  493    QD   PHE  55           QD       PHE  55  -3.452  -3.348  -7.945
  494    QE   PHE  55           QE       PHE  55  -4.646  -1.717  -9.346
  495    QR   PHE  55           QR       PHE  55  -4.288  -2.206  -8.926
  496    H    TYR  56           H        TYR  56  -4.181  -5.991  -4.078
  497    HA   TYR  56           HA       TYR  56  -1.727  -7.299  -3.134
  498   1HB   TYR  56          2HB       TYR  56  -3.188  -6.289  -1.375
  499   2HB   TYR  56          1HB       TYR  56  -4.540  -7.247  -1.891
  500    HD1  TYR  56          1HD       TYR  56  -2.960  -9.940  -2.156
  501    HD2  TYR  56          2HD       TYR  56  -3.050  -6.942   0.863
  502    HE1  TYR  56          1HE       TYR  56  -2.347 -11.623  -0.479
  503    HE2  TYR  56          2HE       TYR  56  -2.415  -8.625   2.548
  504    HH   TYR  56           HH       TYR  56  -1.308 -11.740   1.666
  505    QB   TYR  56           QB       TYR  56  -3.864  -6.768  -1.633
  506    QD   TYR  56           QD       TYR  56  -3.005  -8.441  -0.647
  507    QE   TYR  56           QE       TYR  56  -2.381 -10.124   1.034
  508    QR   TYR  56           QR       TYR  56  -2.693  -9.282   0.194
  509    H    SER  57           H        SER  57  -1.373  -8.942  -4.466
  510    HA   SER  57           HA       SER  57  -3.694 -10.442  -5.437
  511   1HB   SER  57          2HB       SER  57  -1.057  -9.996  -6.839
  512   2HB   SER  57          1HB       SER  57  -2.440 -10.896  -7.473
  513    HG   SER  57           HG       SER  57  -3.239  -8.513  -6.631
  514    QB   SER  57           QB       SER  57  -1.749 -10.446  -7.156
  515    H    GLN  58           H        GLN  58  -3.804 -12.126  -4.173
  516    HA   GLN  58           HA       GLN  58  -3.448 -14.105  -3.271
  517   1HB   GLN  58          2HB       GLN  58  -2.719 -14.785  -5.494
  518   2HB   GLN  58          1HB       GLN  58  -1.088 -14.240  -5.157
  519   1HG   GLN  58          2HG       GLN  58  -0.828 -15.974  -3.487
  520   2HG   GLN  58          1HG       GLN  58  -2.497 -16.483  -3.722
  521   1HE2  GLN  58          1HE2      GLN  58  -1.895 -18.517  -4.309
  522   2HE2  GLN  58          2HE2      GLN  58  -1.183 -18.904  -5.820
  523    QB   GLN  58           QB       GLN  58  -1.904 -14.513  -5.325
  524    QG   GLN  58           QG       GLN  58  -1.662 -16.228  -3.605
  525    QE   GLN  58           QE2      GLN  58  -1.539 -18.710  -5.064
  526    H    GLY  59           H        GLY  59   0.009 -13.342  -3.626
  527   1HA   GLY  59          1HA       GLY  59   1.284 -14.044  -1.561
  528   2HA   GLY  59          2HA       GLY  59   0.079 -13.109  -0.694
  529    QA   GLY  59           QA       GLY  59   0.682 -13.576  -1.127
  530    H    VAL  60           H        VAL  60   0.732 -11.593  -3.626
  531    HA   VAL  60           HA       VAL  60   2.940 -10.185  -2.384
  532    HB   VAL  60           HB       VAL  60   3.628  -9.318  -4.513
  533   1HG1  VAL  60          2HG1      VAL  60   4.472 -11.496  -3.972
  534   2HG1  VAL  60          1HG1      VAL  60   3.076 -12.253  -4.723
  535   3HG1  VAL  60          3HG1      VAL  60   4.226 -11.365  -5.712
  536   1HG2  VAL  60          2HG2      VAL  60   1.204 -10.677  -5.712
  537   2HG2  VAL  60          1HG2      VAL  60   1.474  -8.942  -5.583
  538   3HG2  VAL  60          3HG2      VAL  60   2.500  -9.913  -6.637
  539    MG1  VAL  60           QG1      VAL  60   3.925 -11.705  -4.802
  540    MG2  VAL  60           QG2      VAL  60   1.726  -9.844  -5.977
  541    QG   VAL  60           QQG      VAL  60   2.825 -10.774  -5.390
  542    H    PHE  61           H        PHE  61   2.783  -8.347  -1.621
  543    HA   PHE  61           HA       PHE  61   0.418  -6.662  -1.888
  544   1HB   PHE  61          2HB       PHE  61   2.610  -7.067  -0.132
  545   2HB   PHE  61          1HB       PHE  61   2.589  -5.388  -0.634
  546    HD1  PHE  61          1HD       PHE  61   2.232  -6.878   2.032
  547    HD2  PHE  61          2HD       PHE  61  -0.481  -5.086  -0.700
  548    HE1  PHE  61          1HE       PHE  61   0.748  -6.449   3.859
  549    HE2  PHE  61          2HE       PHE  61  -2.040  -4.637   1.171
  550    HZ   PHE  61           HZ       PHE  61  -1.390  -5.315   3.463
  551    QB   PHE  61           QB       PHE  61   2.599  -6.228  -0.383
  552    QD   PHE  61           QD       PHE  61   0.876  -5.982   0.666
  553    QE   PHE  61           QE       PHE  61  -0.646  -5.543   2.515
  554    QR   PHE  61           QR       PHE  61  -0.186  -5.673   1.965
  555    H    PHE  62           H        PHE  62   0.447  -5.238  -3.704
  556    HA   PHE  62           HA       PHE  62   2.968  -3.788  -4.016
  557   1HB   PHE  62          2HB       PHE  62   2.352  -5.018  -6.127
  558   2HB   PHE  62          1HB       PHE  62   0.828  -4.121  -6.154
  559    HD1  PHE  62          1HD       PHE  62   4.478  -3.865  -6.535
  560    HD2  PHE  62          2HD       PHE  62   0.757  -1.807  -6.853
  561    HE1  PHE  62          1HE       PHE  62   5.594  -2.026  -7.733
  562    HE2  PHE  62          2HE       PHE  62   1.875   0.025  -8.053
  563    HZ   PHE  62           HZ       PHE  62   4.292  -0.083  -8.490
  564    QB   PHE  62           QB       PHE  62   1.590  -4.570  -6.140
  565    QD   PHE  62           QD       PHE  62   2.618  -2.836  -6.694
  566    QE   PHE  62           QE       PHE  62   3.735  -1.000  -7.893
  567    QR   PHE  62           QR       PHE  62   3.400  -1.551  -7.533
  568    H    GLN  63           H        GLN  63   2.816  -1.823  -3.267
  569    HA   GLN  63           HA       GLN  63   0.185  -0.495  -3.120
  570   1HB   GLN  63          2HB       GLN  63   0.921  -1.830  -1.009
  571   2HB   GLN  63          1HB       GLN  63   2.164  -0.615  -0.835
  572   1HG   GLN  63          2HG       GLN  63  -0.827  -0.240  -0.609
  573   2HG   GLN  63          1HG       GLN  63   0.361  -0.175   0.669
  574   1HE2  GLN  63          1HE2      GLN  63   1.622   1.679   0.891
  575   2HE2  GLN  63          2HE2      GLN  63   1.176   3.157   0.096
  576    QB   GLN  63           QB       GLN  63   1.542  -1.223  -0.922
  577    QG   GLN  63           QG       GLN  63  -0.233  -0.207   0.030
  578    QE   GLN  63           QE2      GLN  63   1.399   2.418   0.493
  579    H    TRP  64           H        TRP  64   0.527   1.653  -3.815
  580    HA   TRP  64           HA       TRP  64   3.136   2.643  -3.256
  581   1HB   TRP  64          2HB       TRP  64   3.703   3.397  -5.385
  582   2HB   TRP  64          1HB       TRP  64   3.141   1.730  -5.644
  583    HD1  TRP  64           HD       TRP  64   3.244   4.969  -7.083
  584    HE1  TRP  64          1HE       TRP  64   1.462   5.350  -8.811
  585    HE3  TRP  64          3HE       TRP  64   0.155   1.101  -5.863
  586    HZ2  TRP  64          2HZ       TRP  64  -1.002   4.194  -9.584
  587    HZ3  TRP  64          3HZ       TRP  64  -1.939   0.850  -7.127
  588    HH2  TRP  64           HH       TRP  64  -2.482   2.346  -8.970
  589    QB   TRP  64           QB       TRP  64   3.422   2.563  -5.514
  590    H    LEU  65           H        LEU  65   3.265   4.959  -3.458
  591    HA   LEU  65           HA       LEU  65   0.693   6.279  -3.264
  592   1HB   LEU  65          2HB       LEU  65   1.385   7.445  -1.218
  593   2HB   LEU  65          1HB       LEU  65   1.156   5.729  -0.987
  594    HG   LEU  65           HG       LEU  65   3.842   6.911  -1.445
  595   1HD1  LEU  65          3HD1      LEU  65   2.303   6.567   1.121
  596   2HD1  LEU  65          2HD1      LEU  65   4.053   6.845   1.078
  597   3HD1  LEU  65          1HD1      LEU  65   2.938   8.065   0.450
  598   1HD2  LEU  65          1HD2      LEU  65   2.961   4.378  -0.035
  599   2HD2  LEU  65          3HD2      LEU  65   3.733   4.483  -1.618
  600   3HD2  LEU  65          2HD2      LEU  65   4.628   4.940  -0.172
  601    MD1  LEU  65           QD1      LEU  65   3.098   7.159   0.883
  602    MD2  LEU  65           QD2      LEU  65   3.774   4.600  -0.608
  603    QB   LEU  65           QB       LEU  65   1.270   6.587  -1.102
  604    QD   LEU  65           QQD      LEU  65   3.436   5.880   0.137
  605    H    GLU  66           H        GLU  66   0.638   8.264  -3.943
  606    HA   GLU  66           HA       GLU  66   3.055   9.488  -5.095
  607   1HB   GLU  66          2HB       GLU  66   0.180  10.293  -5.443
  608   2HB   GLU  66          1HB       GLU  66   1.541  10.718  -6.446
  609   1HG   GLU  66          2HG       GLU  66   1.613   8.378  -7.254
  610   2HG   GLU  66          1HG       GLU  66   0.157   8.051  -6.300
  611    QB   GLU  66           QB       GLU  66   0.860  10.506  -5.944
  612    QG   GLU  66           QG       GLU  66   0.885   8.215  -6.777
  613    H    GLY  67           H        GLY  67   3.810  11.193  -3.827
  614   1HA   GLY  67          1HA       GLY  67   2.728  12.078  -1.473
  615   2HA   GLY  67          2HA       GLY  67   1.972  13.065  -2.726
  616    QA   GLY  67           QA       GLY  67   2.350  12.572  -2.099
  617    H    HIS  68           H        HIS  68   3.303  14.680  -1.264
  618    HA   HIS  68           HA       HIS  68   5.673  15.433  -2.680
  619   1HB   HIS  68          2HB       HIS  68   4.403  17.191  -1.610
  620   2HB   HIS  68          1HB       HIS  68   4.486  16.437  -0.050
  621    HD1  HIS  68          1HD       HIS  68   6.623  16.762   1.333
  622    HD2  HIS  68          2HD       HIS  68   6.460  18.477  -2.343
  623    HE1  HIS  68          1HE       HIS  68   8.671  18.114   1.310
  624    HE2  HIS  68          2HE       HIS  68   8.603  19.310  -1.003
  625    QB   HIS  68           QB       HIS  68   4.444  16.814  -0.830
  626    HA   PRO  69           HA       PRO  69   8.564  12.326  -1.428
  627   1HB   PRO  69          2HB       PRO  69  10.513  14.292  -0.602
  628   2HB   PRO  69          1HB       PRO  69  10.533  13.224  -2.004
  629   1HG   PRO  69          2HG       PRO  69   9.641  16.020  -1.792
  630   2HG   PRO  69          1HG       PRO  69  10.123  15.103  -3.232
  631   1HD   PRO  69          2HD       PRO  69   7.602  15.824  -2.824
  632   2HD   PRO  69          1HD       PRO  69   7.978  14.238  -3.529
  633    QB   PRO  69           QB       PRO  69  10.523  13.758  -1.303
  634    QG   PRO  69           QG       PRO  69   9.882  15.562  -2.512
  635    QD   PRO  69           QD       PRO  69   7.790  15.031  -3.176
  636    H    ALA  70           H        ALA  70   8.591  15.004   0.892
  637    HA   ALA  70           HA       ALA  70   9.537  13.256   2.935
  638   1HB   ALA  70          3HB       ALA  70  10.206  15.547   2.958
  639   2HB   ALA  70          1HB       ALA  70   9.316  15.105   4.422
  640   3HB   ALA  70          2HB       ALA  70   8.514  16.051   3.120
  641    MB   ALA  70           QB       ALA  70   9.345  15.567   3.500
  642    H    ALA  71           H        ALA  71   6.462  14.191   1.966
  643    HA   ALA  71           HA       ALA  71   5.141  13.455   4.339
  644   1HB   ALA  71          3HB       ALA  71   4.320  13.460   1.508
  645   2HB   ALA  71          2HB       ALA  71   3.178  13.295   2.852
  646   3HB   ALA  71          1HB       ALA  71   4.098  14.821   2.622
  647    MB   ALA  71           QB       ALA  71   3.865  13.859   2.327
  648    H    VAL  72           H        VAL  72   5.954  12.052   1.303
  649    HA   VAL  72           HA       VAL  72   4.838   9.462   1.490
  650    HB   VAL  72           HB       VAL  72   7.474   9.841   0.158
  651   1HG1  VAL  72          2HG1      VAL  72   6.284   7.796  -0.044
  652   2HG1  VAL  72          1HG1      VAL  72   4.904   8.722  -0.698
  653   3HG1  VAL  72          3HG1      VAL  72   6.418   8.654  -1.622
  654   1HG2  VAL  72          3HG2      VAL  72   4.992  11.155  -0.866
  655   2HG2  VAL  72          2HG2      VAL  72   6.512  11.918  -0.336
  656   3HG2  VAL  72          1HG2      VAL  72   6.492  10.894  -1.778
  657    MG1  VAL  72           QG1      VAL  72   5.869   8.391  -0.788
  658    MG2  VAL  72           QG2      VAL  72   5.999  11.322  -0.994
  659    QG   VAL  72           QQG      VAL  72   5.934   9.856  -0.891
  660    H    ALA  73           H        ALA  73   7.960  10.825   2.356
  661    HA   ALA  73           HA       ALA  73   9.008   8.400   3.305
  662   1HB   ALA  73          2HB       ALA  73   9.897  11.191   3.875
  663   2HB   ALA  73          1HB       ALA  73  10.749   9.626   4.218
  664   3HB   ALA  73          3HB       ALA  73  10.434  10.110   2.550
  665    MB   ALA  73           QB       ALA  73  10.360  10.309   3.548
  666    H    GLU  74           H        GLU  74   7.467  11.107   4.944
  667    HA   GLU  74           HA       GLU  74   7.717  10.254   7.647
  668   1HB   GLU  74          2HB       GLU  74   6.750  12.461   6.846
  669   2HB   GLU  74          1HB       GLU  74   5.326  11.587   6.315
  670   1HG   GLU  74          2HG       GLU  74   4.898  10.942   8.652
  671   2HG   GLU  74          1HG       GLU  74   6.293  11.903   9.148
  672    QB   GLU  74           QB       GLU  74   6.038  12.024   6.581
  673    QG   GLU  74           QG       GLU  74   5.596  11.422   8.900
  674    H    VAL  75           H        VAL  75   5.494   9.463   5.140
  675    HA   VAL  75           HA       VAL  75   4.074   7.520   6.555
  676    HB   VAL  75           HB       VAL  75   4.412   8.175   3.626
  677   1HG1  VAL  75          2HG1      VAL  75   2.686   5.995   4.780
  678   2HG1  VAL  75          1HG1      VAL  75   2.685   6.598   3.112
  679   3HG1  VAL  75          3HG1      VAL  75   4.111   5.782   3.743
  680   1HG2  VAL  75          2HG2      VAL  75   3.071   9.669   4.982
  681   2HG2  VAL  75          1HG2      VAL  75   2.077   8.796   3.814
  682   3HG2  VAL  75          3HG2      VAL  75   2.075   8.309   5.509
  683    MG1  VAL  75           QG1      VAL  75   3.161   6.125   3.878
  684    MG2  VAL  75           QG2      VAL  75   2.408   8.925   4.768
  685    QG   VAL  75           QQG      VAL  75   2.784   7.525   4.323
  686    H    MET  76           H        MET  76   6.798   7.149   4.096
  687    HA   MET  76           HA       MET  76   7.207   4.494   4.269
  688   1HB   MET  76          2HB       MET  76   9.309   6.625   4.151
  689   2HB   MET  76          1HB       MET  76   9.616   4.966   3.801
  690   1HG   MET  76          2HG       MET  76   7.556   6.458   2.331
  691   2HG   MET  76          1HG       MET  76   9.238   6.604   1.816
  692   1HE   MET  76          1HE       MET  76   6.087   4.556   2.192
  693   2HE   MET  76          3HE       MET  76   6.377   3.039   1.332
  694   3HE   MET  76          2HE       MET  76   7.118   3.277   2.909
  695    QB   MET  76           QB       MET  76   9.463   5.795   3.976
  696    QG   MET  76           QG       MET  76   8.397   6.531   2.073
  697    ME   MET  76           QE       MET  76   6.528   3.624   2.144
  698    H    SER  77           H        SER  77   8.707   6.864   6.442
  699    HA   SER  77           HA       SER  77  10.112   4.998   7.990
  700   1HB   SER  77          2HB       SER  77  10.411   7.486   8.090
  701   2HB   SER  77          1HB       SER  77   8.862   7.604   8.916
  702    HG   SER  77           HG       SER  77  11.275   7.081   9.903
  703    QB   SER  77           QB       SER  77   9.636   7.545   8.503
  704    H    HIS  78           H        HIS  78   6.837   6.229   8.427
  705    HA   HIS  78           HA       HIS  78   6.273   4.705  10.742
  706   1HB   HIS  78          2HB       HIS  78   4.903   6.621  10.013
  707   2HB   HIS  78          1HB       HIS  78   4.332   5.697   8.633
  708    HD1  HIS  78          1HD       HIS  78   1.951   5.085   9.063
  709    HD2  HIS  78          2HD       HIS  78   4.248   4.877  12.526
  710    HE1  HIS  78          1HE       HIS  78   0.389   4.312  10.860
  711    HE2  HIS  78          2HE       HIS  78   1.765   4.390  12.979
  712    QB   HIS  78           QB       HIS  78   4.618   6.159   9.323
  713    H    ILE  79           H        ILE  79   6.251   3.833   7.387
  714    HA   ILE  79           HA       ILE  79   4.857   1.244   7.820
  715    HB   ILE  79           HB       ILE  79   6.070   2.219   5.230
  716   1HG1  ILE  79          2HG1      ILE  79   3.310   2.790   6.281
  717   2HG1  ILE  79          1HG1      ILE  79   4.578   3.924   5.829
  718   1HG2  ILE  79          3HG2      ILE  79   5.482  -0.102   5.400
  719   2HG2  ILE  79          2HG2      ILE  79   3.826   0.346   5.850
  720   3HG2  ILE  79          1HG2      ILE  79   4.444   0.741   4.242
  721   1HD1  ILE  79          2HD1      ILE  79   4.410   3.257   3.496
  722   2HD1  ILE  79          1HD1      ILE  79   3.156   2.091   3.912
  723   3HD1  ILE  79          3HD1      ILE  79   2.848   3.815   4.099
  724    MG   ILE  79           QG2      ILE  79   4.584   0.328   5.164
  725    MD   ILE  79           QD1      ILE  79   3.471   3.054   3.836
  726    QG   ILE  79           QG1      ILE  79   3.944   3.357   6.055
  727    H    GLN  80           H        GLN  80   8.076   2.439   7.244
  728    HA   GLN  80           HA       GLN  80   9.025  -0.146   6.588
  729   1HB   GLN  80          2HB       GLN  80  10.582   2.372   7.182
  730   2HB   GLN  80          1HB       GLN  80  11.304   0.874   6.604
  731   1HG   GLN  80          2HG       GLN  80   9.361   2.673   5.098
  732   2HG   GLN  80          1HG       GLN  80  10.982   2.244   4.595
  733   1HE2  GLN  80          1HE2      GLN  80   7.779   1.491   4.758
  734   2HE2  GLN  80          2HE2      GLN  80   7.831   0.054   3.786
  735    QB   GLN  80           QB       GLN  80  10.943   1.623   6.893
  736    QG   GLN  80           QG       GLN  80  10.171   2.458   4.847
  737    QE   GLN  80           QE2      GLN  80   7.805   0.773   4.272
  738    H    ARG  81           H        ARG  81   8.172   1.117   9.418
  739    HA   ARG  81           HA       ARG  81   9.788  -0.627  11.071
  740   1HB   ARG  81          2HB       ARG  81   7.458   1.202  11.509
  741   2HB   ARG  81          1HB       ARG  81   7.778  -0.045  12.696
  742   1HG   ARG  81          2HG       ARG  81   8.728   2.158  13.274
  743   2HG   ARG  81          1HG       ARG  81   9.930   0.877  13.186
  744   1HD   ARG  81          2HD       ARG  81  10.673   1.670  11.053
  745   2HD   ARG  81          1HD       ARG  81   9.359   2.847  10.982
  746    HE   ARG  81           HE       ARG  81  10.696   3.399  13.287
  747   1HH1  ARG  81          1HH1      ARG  81  11.732   3.270   9.874
  748   2HH1  ARG  81          2HH1      ARG  81  12.844   4.541  10.043
  749   1HH2  ARG  81          1HH2      ARG  81  12.157   5.142  13.465
  750   2HH2  ARG  81          2HH2      ARG  81  13.127   5.624  12.147
  751    QB   ARG  81           QB       ARG  81   7.618   0.578  12.102
  752    QG   ARG  81           QG       ARG  81   9.329   1.517  13.230
  753    QD   ARG  81           QD       ARG  81  10.016   2.259  11.018
  754    QH1  ARG  81           QH1      ARG  81  12.288   3.905   9.959
  755    QH2  ARG  81           QH2      ARG  81  12.642   5.383  12.806
  756    H    ASP  82           H        ASP  82   8.154  -1.577   8.760
  757    HA   ASP  82           HA       ASP  82   6.146  -3.070   8.825
  758   1HB   ASP  82          2HB       ASP  82   7.094  -3.508   7.051
  759   2HB   ASP  82          1HB       ASP  82   8.730  -3.775   7.592
  760    QB   ASP  82           QB       ASP  82   7.912  -3.641   7.321
  761    H    ARG  83           H        ARG  83   5.392  -5.028   8.979
  762    HA   ARG  83           HA       ARG  83   5.453  -6.748  11.061
  763   1HB   ARG  83          2HB       ARG  83   3.886  -5.476  12.704
  764   2HB   ARG  83          1HB       ARG  83   5.589  -5.040  12.724
  765   1HG   ARG  83          2HG       ARG  83   5.070  -3.126  11.231
  766   2HG   ARG  83          1HG       ARG  83   3.373  -3.521  11.361
  767   1HD   ARG  83          2HD       ARG  83   5.045  -3.003  13.814
  768   2HD   ARG  83          1HD       ARG  83   4.239  -1.703  12.951
  769    HE   ARG  83           HE       ARG  83   2.143  -2.655  13.532
  770   1HH1  ARG  83          1HH1      ARG  83   4.839  -4.163  15.302
  771   2HH1  ARG  83          2HH1      ARG  83   3.798  -4.736  16.540
  772   1HH2  ARG  83          1HH2      ARG  83   0.873  -3.345  15.187
  773   2HH2  ARG  83          2HH2      ARG  83   1.489  -4.272  16.496
  774    QB   ARG  83           QB       ARG  83   4.738  -5.258  12.714
  775    QG   ARG  83           QG       ARG  83   4.221  -3.323  11.296
  776    QD   ARG  83           QD       ARG  83   4.642  -2.353  13.382
  777    QH1  ARG  83           QH1      ARG  83   4.318  -4.449  15.921
  778    QH2  ARG  83           QH2      ARG  83   1.181  -3.809  15.842
  779    H    ARG  84           H        ARG  84   3.660  -4.360   9.257
  780    HA   ARG  84           HA       ARG  84   1.162  -5.854   9.199
  781   1HB   ARG  84          2HB       ARG  84   1.959  -3.265   7.925
  782   2HB   ARG  84          1HB       ARG  84   0.398  -4.061   7.823
  783   1HG   ARG  84          2HG       ARG  84   1.684  -2.959  10.332
  784   2HG   ARG  84          1HG       ARG  84   0.332  -2.249   9.446
  785   1HD   ARG  84          2HD       ARG  84  -0.847  -4.475   9.821
  786   2HD   ARG  84          1HD       ARG  84   0.419  -4.795  10.999
  787    HE   ARG  84           HE       ARG  84  -0.812  -2.278  11.484
  788   1HH1  ARG  84          1HH1      ARG  84  -0.999  -5.701  12.096
  789   2HH1  ARG  84          2HH1      ARG  84  -2.359  -5.592  13.114
  790   1HH2  ARG  84          1HH2      ARG  84  -2.545  -2.061  12.887
  791   2HH2  ARG  84          2HH2      ARG  84  -3.251  -3.412  13.673
  792    QB   ARG  84           QB       ARG  84   1.178  -3.663   7.874
  793    QG   ARG  84           QG       ARG  84   1.008  -2.604   9.889
  794    QD   ARG  84           QD       ARG  84  -0.214  -4.635  10.410
  795    QH1  ARG  84           QH1      ARG  84  -1.679  -5.647  12.605
  796    QH2  ARG  84           QH2      ARG  84  -2.898  -2.737  13.280
  797    H    HIS  85           H        HIS  85   3.804  -6.581   7.594
  798    HA   HIS  85           HA       HIS  85   2.518  -7.557   5.408
  799   1HB   HIS  85          2HB       HIS  85   4.301  -6.292   3.796
  800   2HB   HIS  85          1HB       HIS  85   2.652  -5.755   3.992
  801    HD1  HIS  85          1HD       HIS  85   3.226  -3.347   3.347
  802    HD2  HIS  85          2HD       HIS  85   5.426  -4.648   6.621
  803    HE1  HIS  85          1HE       HIS  85   4.439  -1.397   4.279
  804    HE2  HIS  85          2HE       HIS  85   5.431  -2.182   6.396
  805    QB   HIS  85           QB       HIS  85   3.476  -6.024   3.894
  806    H    SER  86           H        SER  86   4.861  -7.997   3.841
  807    HA   SER  86           HA       SER  86   6.009  -9.658   5.920
  808   1HB   SER  86          2HB       SER  86   4.723 -10.414   3.879
  809   2HB   SER  86          1HB       SER  86   6.235 -10.219   3.056
  810    HG   SER  86           HG       SER  86   6.903 -11.510   5.229
  811    QB   SER  86           QB       SER  86   5.479 -10.317   3.468
  812    H    ASN  87           H        ASN  87   6.927  -6.970   4.411
  813    HA   ASN  87           HA       ASN  87   9.705  -7.397   4.638
  814   1HB   ASN  87          2HB       ASN  87   8.808  -8.760   2.440
  815   2HB   ASN  87          1HB       ASN  87   9.380  -7.252   1.738
  816   1HD2  ASN  87          1HD2      ASN  87  10.217 -10.221   3.192
  817   2HD2  ASN  87          2HD2      ASN  87  11.926 -10.021   3.079
  818    QB   ASN  87           QB       ASN  87   9.094  -8.006   2.089
  819    QD   ASN  87           QD2      ASN  87  11.071 -10.121   3.136
  820    H    VAL  88           H        VAL  88   7.549  -5.879   2.761
  821    HA   VAL  88           HA       VAL  88   7.568  -4.154   1.455
  822    HB   VAL  88           HB       VAL  88   6.459  -3.500   3.261
  823   1HG1  VAL  88          2HG1      VAL  88   8.076  -3.671   4.864
  824   2HG1  VAL  88          1HG1      VAL  88   8.876  -2.128   4.340
  825   3HG1  VAL  88          3HG1      VAL  88   7.182  -2.089   4.957
  826   1HG2  VAL  88          3HG2      VAL  88   6.634  -1.921   1.459
  827   2HG2  VAL  88          2HG2      VAL  88   6.407  -1.066   2.972
  828   3HG2  VAL  88          1HG2      VAL  88   8.015  -1.163   2.217
  829    MG1  VAL  88           QG1      VAL  88   8.045  -2.629   4.720
  830    MG2  VAL  88           QG2      VAL  88   7.019  -1.383   2.216
  831    QG   VAL  88           QQG      VAL  88   7.532  -2.006   3.468
  832    H    GLU  89           H        GLU  89   8.792  -4.282   0.054
  833    HA   GLU  89           HA       GLU  89  11.339  -2.893   0.264
  834   1HB   GLU  89          2HB       GLU  89  10.379  -4.839  -1.807
  835   2HB   GLU  89          1HB       GLU  89  12.023  -4.243  -1.582
  836   1HG   GLU  89          2HG       GLU  89  12.235  -5.363   0.488
  837   2HG   GLU  89          1HG       GLU  89  10.492  -5.677   0.411
  838    QB   GLU  89           QB       GLU  89  11.201  -4.541  -1.695
  839    QG   GLU  89           QG       GLU  89  11.363  -5.520   0.449
  840    H    ILE  90           H        ILE  90  10.324  -0.943   0.071
  841    HA   ILE  90           HA       ILE  90   8.793   0.244  -1.900
  842    HB   ILE  90           HB       ILE  90  11.444   1.460  -1.316
  843   1HG1  ILE  90          2HG1      ILE  90  10.911   0.569   0.849
  844   2HG1  ILE  90          1HG1      ILE  90  10.653   2.304   0.880
  845   1HG2  ILE  90          1HG2      ILE  90   9.744   2.792  -2.610
  846   2HG2  ILE  90          3HG2      ILE  90   8.636   2.610  -1.238
  847   3HG2  ILE  90          2HG2      ILE  90  10.082   3.540  -1.045
  848   1HD1  ILE  90          3HD1      ILE  90   8.535   0.228   0.558
  849   2HD1  ILE  90          2HD1      ILE  90   8.884   1.128   2.044
  850   3HD1  ILE  90          1HD1      ILE  90   8.282   1.972   0.603
  851    MG   ILE  90           QG2      ILE  90   9.487   2.981  -1.631
  852    MD   ILE  90           QD1      ILE  90   8.567   1.110   1.069
  853    QG   ILE  90           QG1      ILE  90  10.782   1.437   0.865
  854    H    LEU  91           H        LEU  91  12.166   0.220  -2.271
  855    HA   LEU  91           HA       LEU  91  13.568  -0.476  -3.897
  856   1HB   LEU  91          2HB       LEU  91  11.159  -1.830  -5.093
  857   2HB   LEU  91          1HB       LEU  91  12.782  -2.002  -5.714
  858    HG   LEU  91           HG       LEU  91  11.844  -2.945  -2.977
  859   1HD1  LEU  91          3HD1      LEU  91  12.478  -4.432  -5.509
  860   2HD1  LEU  91          2HD1      LEU  91  12.152  -5.170  -3.937
  861   3HD1  LEU  91          1HD1      LEU  91  10.893  -4.250  -4.763
  862   1HD2  LEU  91          3HD2      LEU  91  14.470  -3.306  -4.414
  863   2HD2  LEU  91          2HD2      LEU  91  14.208  -2.295  -2.985
  864   3HD2  LEU  91          1HD2      LEU  91  14.016  -4.043  -2.880
  865    MD1  LEU  91           QD1      LEU  91  11.841  -4.617  -4.736
  866    MD2  LEU  91           QD2      LEU  91  14.231  -3.215  -3.426
  867    QB   LEU  91           QB       LEU  91  11.970  -1.916  -5.403
  868    QD   LEU  91           QQD      LEU  91  13.036  -3.916  -4.081
  869    H    ALA  92           H        ALA  92  10.612   1.037  -4.811
  870    HA   ALA  92           HA       ALA  92  12.025   2.429  -7.010
  871   1HB   ALA  92          1HB       ALA  92  10.522   0.818  -7.999
  872   2HB   ALA  92          2HB       ALA  92   9.873   2.462  -8.233
  873   3HB   ALA  92          3HB       ALA  92   9.215   1.412  -6.976
  874    MB   ALA  92           QB       ALA  92   9.870   1.564  -7.736
  875    H    GLU  93           H        GLU  93  12.146   4.515  -6.511
  876    HA   GLU  93           HA       GLU  93   9.760   5.832  -5.517
  877   1HB   GLU  93          2HB       GLU  93  12.565   6.398  -4.413
  878   2HB   GLU  93          1HB       GLU  93  11.052   7.207  -4.004
  879   1HG   GLU  93          2HG       GLU  93  10.164   5.386  -3.003
  880   2HG   GLU  93          1HG       GLU  93  11.507   4.343  -3.486
  881    QB   GLU  93           QB       GLU  93  11.809   6.803  -4.208
  882    QG   GLU  93           QG       GLU  93  10.835   4.864  -3.244
  883    H    GLU  94           H        GLU  94   9.252   7.121  -7.084
  884    HA   GLU  94           HA       GLU  94  11.399   8.357  -8.671
  885   1HB   GLU  94          2HB       GLU  94   9.721   8.382 -10.556
  886   2HB   GLU  94          1HB       GLU  94  10.356   6.806 -10.103
  887   1HG   GLU  94          2HG       GLU  94   8.321   6.250  -8.979
  888   2HG   GLU  94          1HG       GLU  94   7.681   7.889  -9.216
  889    QB   GLU  94           QB       GLU  94  10.038   7.594 -10.330
  890    QG   GLU  94           QG       GLU  94   8.001   7.069  -9.098
  891    H    SER  95           H        SER  95  11.197  10.524  -9.286
  892    HA   SER  95           HA       SER  95   9.446  12.113  -7.667
  893   1HB   SER  95          2HB       SER  95  10.574  13.998  -8.959
  894   2HB   SER  95          1HB       SER  95  11.666  12.967  -8.035
  895    HG   SER  95           HG       SER  95  11.081  12.667 -10.795
  896    QB   SER  95           QB       SER  95  11.120  13.482  -8.497
  897    H    ILE  96           H        ILE  96   7.492  12.518  -8.175
  898    HA   ILE  96           HA       ILE  96   6.639  12.298 -11.014
  899    HB   ILE  96           HB       ILE  96   4.507  11.688 -10.277
  900   1HG1  ILE  96          2HG1      ILE  96   5.641  11.232  -7.550
  901   2HG1  ILE  96          1HG1      ILE  96   4.921  12.770  -7.971
  902   1HG2  ILE  96          1HG2      ILE  96   6.164  10.011 -10.883
  903   2HG2  ILE  96          3HG2      ILE  96   6.760   9.969  -9.223
  904   3HG2  ILE  96          2HG2      ILE  96   5.139   9.370  -9.592
  905   1HD1  ILE  96          3HD1      ILE  96   3.540  10.129  -8.102
  906   2HD1  ILE  96          2HD1      ILE  96   3.478  11.280  -6.758
  907   3HD1  ILE  96          1HD1      ILE  96   2.850  11.735  -8.341
  908    MG   ILE  96           QG2      ILE  96   6.021   9.783  -9.899
  909    MD   ILE  96           QD1      ILE  96   3.289  11.048  -7.734
  910    QG   ILE  96           QG1      ILE  96   5.281  12.001  -7.760
  911    H    ALA  97           H        ALA  97   4.466  13.248 -11.432
  912    HA   ALA  97           HA       ALA  97   4.338  15.922 -10.292
  913   1HB   ALA  97          1HB       ALA  97   4.703  15.838 -12.730
  914   2HB   ALA  97          2HB       ALA  97   3.122  16.562 -12.289
  915   3HB   ALA  97          3HB       ALA  97   3.210  14.884 -12.834
  916    MB   ALA  97           QB       ALA  97   3.678  15.761 -12.617
  917    H    LYS  98           H        LYS  98   3.191  13.187 -10.007
  918    HA   LYS  98           HA       LYS  98   1.336  12.072  -9.228
  919   1HB   LYS  98          2HB       LYS  98   2.219  13.778  -7.659
  920   2HB   LYS  98          1HB       LYS  98   0.828  14.725  -8.116
  921   1HG   LYS  98          2HG       LYS  98   0.175  12.044  -7.302
  922   2HG   LYS  98          1HG       LYS  98   1.161  12.940  -6.185
  923   1HD   LYS  98          2HD       LYS  98  -0.915  14.526  -7.206
  924   2HD   LYS  98          1HD       LYS  98  -1.550  13.144  -6.232
  925   1HE   LYS  98          2HE       LYS  98   0.124  13.712  -4.674
  926   2HE   LYS  98          1HE       LYS  98   0.490  15.191  -5.578
  927   1HZ   LYS  98          1HZ       LYS  98  -1.907  15.880  -5.232
  928   2HZ   LYS  98          3HZ       LYS  98  -2.099  14.583  -4.153
  929   3HZ   LYS  98          2HZ       LYS  98  -1.034  15.833  -3.801
  930    QB   LYS  98           QB       LYS  98   1.523  14.252  -7.887
  931    QD   LYS  98           QD       LYS  98  -1.233  13.835  -6.719
  932    QG   LYS  98           QG       LYS  98   0.668  12.492  -6.743
  933    QE   LYS  98           QE       LYS  98   0.307  14.451  -5.126
  934    QZ   LYS  98           QZ       LYS  98  -1.680  15.432  -4.395
  935    H    ARG  99           H        ARG  99  -1.085  12.833  -8.661
  936    HA   ARG  99           HA       ARG  99  -3.112  13.556  -9.301
  937   1HB   ARG  99          2HB       ARG  99  -1.899  15.585 -10.248
  938   2HB   ARG  99          1HB       ARG  99  -1.819  14.762 -11.776
  939   1HG   ARG  99          2HG       ARG  99  -3.622  16.356 -11.821
  940   2HG   ARG  99          1HG       ARG  99  -4.302  14.724 -11.844
  941   1HD   ARG  99          2HD       ARG  99  -4.681  14.882  -9.411
  942   2HD   ARG  99          1HD       ARG  99  -4.060  16.532  -9.442
  943    HE   ARG  99           HE       ARG  99  -6.244  15.983 -11.228
  944   1HH1  ARG  99          1HH1      ARG  99  -5.301  17.223  -8.028
  945   2HH1  ARG  99          2HH1      ARG  99  -6.803  18.013  -7.772
  946   1HH2  ARG  99          1HH2      ARG  99  -8.243  17.065 -10.835
  947   2HH2  ARG  99          2HH2      ARG  99  -8.479  17.945  -9.381
  948    QB   ARG  99           QB       ARG  99  -1.859  15.173 -11.012
  949    QG   ARG  99           QG       ARG  99  -3.962  15.540 -11.833
  950    QD   ARG  99           QD       ARG  99  -4.370  15.707  -9.427
  951    QH1  ARG  99           QH1      ARG  99  -6.052  17.618  -7.900
  952    QH2  ARG  99           QH2      ARG  99  -8.361  17.505 -10.108
  953    H    ARG 100           H        ARG 100  -1.896  11.034  -9.914
  954    HA   ARG 100           HA       ARG 100  -3.215  10.278 -12.379
  955   1HB   ARG 100          2HB       ARG 100  -1.758   8.607 -10.370
  956   2HB   ARG 100          1HB       ARG 100  -2.258   8.108 -11.975
  957   1HG   ARG 100          2HG       ARG 100  -0.713   9.638 -12.982
  958   2HG   ARG 100          1HG       ARG 100  -0.340  10.301 -11.364
  959   1HD   ARG 100          2HD       ARG 100   0.455   8.094 -10.661
  960   2HD   ARG 100          1HD       ARG 100   0.060   7.429 -12.229
  961    HE   ARG 100           HE       ARG 100   1.846   8.787 -13.136
  962   1HH1  ARG 100          1HH1      ARG 100   1.791   8.831  -9.659
  963   2HH1  ARG 100          2HH1      ARG 100   3.427   8.445  -9.382
  964   1HH2  ARG 100          1HH2      ARG 100   4.191   8.317 -12.908
  965   2HH2  ARG 100          2HH2      ARG 100   4.883   8.137 -11.377
  966    QB   ARG 100           QB       ARG 100  -2.008   8.358 -11.172
  967    QG   ARG 100           QG       ARG 100  -0.527   9.970 -12.173
  968    QD   ARG 100           QD       ARG 100   0.257   7.762 -11.445
  969    QH1  ARG 100           QH1      ARG 100   2.609   8.638  -9.521
  970    QH2  ARG 100           QH2      ARG 100   4.537   8.227 -12.142
  971    H    PHE 101           H        PHE 101  -3.280   9.262  -8.948
  972    HA   PHE 101           HA       PHE 101  -5.912   8.187  -9.555
  973   1HB   PHE 101          2HB       PHE 101  -3.940   7.358  -7.464
  974   2HB   PHE 101          1HB       PHE 101  -5.640   6.924  -7.298
  975    HD1  PHE 101          1HD       PHE 101  -6.496   5.085  -8.422
  976    HD2  PHE 101          2HD       PHE 101  -2.747   6.689  -9.621
  977    HE1  PHE 101          1HE       PHE 101  -6.182   3.190  -9.952
  978    HE2  PHE 101          2HE       PHE 101  -2.418   4.790 -11.144
  979    HZ   PHE 101           HZ       PHE 101  -4.139   3.036 -11.312
  980    QB   PHE 101           QB       PHE 101  -4.790   7.141  -7.381
  981    QD   PHE 101           QD       PHE 101  -4.622   5.887  -9.021
  982    QE   PHE 101           QE       PHE 101  -4.300   3.990 -10.548
  983    QR   PHE 101           QR       PHE 101  -4.397   4.558 -10.090
  984    H    ALA 102           H        ALA 102  -4.692  10.673  -8.074
  985    HA   ALA 102           HA       ALA 102  -5.513  12.472  -6.891
  986   1HB   ALA 102          3HB       ALA 102  -7.196  12.408  -8.730
  987   2HB   ALA 102          2HB       ALA 102  -8.276  11.540  -7.641
  988   3HB   ALA 102          1HB       ALA 102  -7.770  13.181  -7.252
  989    MB   ALA 102           QB       ALA 102  -7.747  12.376  -7.875
  990    H    GLY 103           H        GLY 103  -6.586   9.492  -5.814
  991   1HA   GLY 103          1HA       GLY 103  -7.874   9.597  -3.492
  992   2HA   GLY 103          2HA       GLY 103  -6.355  10.396  -3.045
  993    QA   GLY 103           QA       GLY 103  -7.114   9.996  -3.268
  994    H    TRP 104           H        TRP 104  -6.274   8.295  -1.592
  995    HA   TRP 104           HA       TRP 104  -4.847   6.272  -3.099
  996   1HB   TRP 104          2HB       TRP 104  -3.725   6.991  -1.045
  997   2HB   TRP 104          1HB       TRP 104  -5.181   6.739  -0.117
  998    HD1  TRP 104           HD       TRP 104  -2.057   4.887  -1.270
  999    HE1  TRP 104          1HE       TRP 104  -2.121   2.535  -0.322
 1000    HE3  TRP 104          3HE       TRP 104  -6.826   4.877   0.524
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.038   0.893   1.103
 1002    HZ3  TRP 104          3HZ       TRP 104  -7.660   3.150   1.578
 1003    HH2  TRP 104           HH       TRP 104  -6.404   1.102   1.921
 1004    QB   TRP 104           QB       TRP 104  -4.453   6.865  -0.581
 1005    H    HIS 105           H        HIS 105  -5.450   4.050  -3.224
 1006    HA   HIS 105           HA       HIS 105  -8.306   3.578  -2.672
 1007   1HB   HIS 105          2HB       HIS 105  -6.676   3.019  -5.130
 1008   2HB   HIS 105          1HB       HIS 105  -8.301   2.368  -4.891
 1009    HD1  HIS 105          1HD       HIS 105  -6.400   5.512  -5.621
 1010    HD2  HIS 105          2HD       HIS 105 -10.350   4.251  -5.428
 1011    HE1  HIS 105          1HE       HIS 105  -7.766   7.321  -6.713
 1012    HE2  HIS 105          2HE       HIS 105 -10.132   6.631  -6.316
 1013    QB   HIS 105           QB       HIS 105  -7.489   2.693  -5.010
 1014    H    MET 106           H        MET 106  -8.783   1.289  -2.363
 1015    HA   MET 106           HA       MET 106  -6.414  -0.422  -2.312
 1016   1HB   MET 106          2HB       MET 106  -6.962   0.183   0.038
 1017   2HB   MET 106          1HB       MET 106  -8.560  -0.531  -0.176
 1018   1HG   MET 106          2HG       MET 106  -7.537  -2.705  -0.611
 1019   2HG   MET 106          1HG       MET 106  -5.944  -1.989  -0.437
 1020   1HE   MET 106          1HE       MET 106  -6.615  -4.598   1.104
 1021   2HE   MET 106          3HE       MET 106  -5.099  -3.746   1.392
 1022   3HE   MET 106          2HE       MET 106  -6.116  -4.216   2.749
 1023    QB   MET 106           QB       MET 106  -7.761  -0.174  -0.069
 1024    QG   MET 106           QG       MET 106  -6.741  -2.347  -0.524
 1025    ME   MET 106           QE       MET 106  -5.943  -4.187   1.749
 1026    H    GLN 107           H        GLN 107  -6.619  -2.153  -3.483
 1027    HA   GLN 107           HA       GLN 107  -8.878  -2.817  -4.966
 1028   1HB   GLN 107          2HB       GLN 107  -6.591  -3.458  -5.539
 1029   2HB   GLN 107          1HB       GLN 107  -6.541  -4.539  -4.164
 1030   1HG   GLN 107          2HG       GLN 107  -8.404  -5.829  -5.199
 1031   2HG   GLN 107          1HG       GLN 107  -8.247  -4.801  -6.624
 1032   1HE2  GLN 107          1HE2      GLN 107  -7.640  -6.489  -7.935
 1033   2HE2  GLN 107          2HE2      GLN 107  -6.113  -7.263  -7.816
 1034    QB   GLN 107           QB       GLN 107  -6.566  -3.999  -4.851
 1035    QG   GLN 107           QG       GLN 107  -8.326  -5.315  -5.912
 1036    QE   GLN 107           QE2      GLN 107  -6.877  -6.876  -7.876
 1037    H    LEU 108           H        LEU 108  -7.558  -4.426  -2.067
 1038    HA   LEU 108           HA       LEU 108  -9.841  -6.193  -2.028
 1039   1HB   LEU 108          2HB       LEU 108  -7.400  -6.143  -0.279
 1040   2HB   LEU 108          1HB       LEU 108  -8.695  -7.312  -0.135
 1041    HG   LEU 108           HG       LEU 108  -6.741  -7.002  -2.409
 1042   1HD1  LEU 108          3HD1      LEU 108  -5.931  -8.201  -0.455
 1043   2HD1  LEU 108          2HD1      LEU 108  -7.323  -9.281  -0.536
 1044   3HD1  LEU 108          1HD1      LEU 108  -6.137  -9.286  -1.831
 1045   1HD2  LEU 108          1HD2      LEU 108  -9.164  -8.810  -2.254
 1046   2HD2  LEU 108          3HD2      LEU 108  -8.927  -7.474  -3.387
 1047   3HD2  LEU 108          2HD2      LEU 108  -7.899  -8.898  -3.479
 1048    MD1  LEU 108           QD1      LEU 108  -6.464  -8.923  -0.940
 1049    MD2  LEU 108           QD2      LEU 108  -8.663  -8.394  -3.040
 1050    QB   LEU 108           QB       LEU 108  -8.048  -6.728  -0.207
 1051    QD   LEU 108           QQD      LEU 108  -7.563  -8.658  -1.990
 1052    H    SER 109           H        SER 109 -10.388  -3.411  -1.408
 1053    HA   SER 109           HA       SER 109 -11.108  -3.363   1.357
 1054   1HB   SER 109          2HB       SER 109 -12.317  -1.887  -1.002
 1055   2HB   SER 109          1HB       SER 109 -12.588  -1.488   0.692
 1056    HG   SER 109           HG       SER 109 -10.218  -1.271   0.776
 1057    QB   SER 109           QB       SER 109 -12.452  -1.688  -0.155
 1058    H    CYS 110           H        CYS 110 -12.438  -4.494  -1.632
 1059    HA   CYS 110           HA       CYS 110 -14.753  -5.619  -0.268
 1060   1HB   CYS 110          2HB       CYS 110 -15.220  -4.152  -2.240
 1061   2HB   CYS 110          1HB       CYS 110 -14.231  -5.212  -3.224
 1062    HG   CYS 110           HG       CYS 110 -16.427  -6.264  -4.059
 1063    QB   CYS 110           QB       CYS 110 -14.725  -4.682  -2.732
 1064    H    SER 111           H        SER 111 -14.192  -7.581   0.436
 1065    HA   SER 111           HA       SER 111 -12.251  -9.187  -0.926
 1066   1HB   SER 111          2HB       SER 111 -12.847 -10.803   0.944
 1067   2HB   SER 111          1HB       SER 111 -12.241  -9.237   1.482
 1068    HG   SER 111           HG       SER 111 -14.217  -8.686   2.159
 1069    QB   SER 111           QB       SER 111 -12.544 -10.020   1.213
 1070    H    GLU 112           H        GLU 112 -12.925 -11.599  -1.378
 1071    HA   GLU 112           HA       GLU 112 -15.167 -11.339  -3.095
 1072   1HB   GLU 112          2HB       GLU 112 -14.666 -13.774  -3.802
 1073   2HB   GLU 112          1HB       GLU 112 -13.529 -12.520  -4.231
 1074   1HG   GLU 112          2HG       GLU 112 -12.408 -14.583  -3.551
 1075   2HG   GLU 112          1HG       GLU 112 -12.020 -13.260  -2.466
 1076    QB   GLU 112           QB       GLU 112 -14.098 -13.147  -4.016
 1077    QG   GLU 112           QG       GLU 112 -12.214 -13.921  -3.009
 1078    H    ALA 113           H        ALA 113 -14.570 -13.430  -0.309
 1079    HA   ALA 113           HA       ALA 113 -15.951 -14.494   1.129
 1080   1HB   ALA 113          3HB       ALA 113 -18.073 -13.417   1.704
 1081   2HB   ALA 113          2HB       ALA 113 -16.797 -12.213   1.533
 1082   3HB   ALA 113          1HB       ALA 113 -17.982 -12.430   0.246
 1083    MB   ALA 113           QB       ALA 113 -17.618 -12.687   1.161
 1084    H    ASP 114           H        ASP 114 -15.833 -15.368  -1.628
 1085    HA   ASP 114           HA       ASP 114 -18.494 -16.637  -1.927
 1086   1HB   ASP 114          2HB       ASP 114 -18.178 -14.901  -3.639
 1087   2HB   ASP 114          1HB       ASP 114 -16.672 -15.662  -4.127
 1088    QB   ASP 114           QB       ASP 114 -17.425 -15.281  -3.883
 1089    H    MET 115           H        MET 115 -15.097 -16.816  -2.692
 1090    HA   MET 115           HA       MET 115 -15.183 -19.590  -3.464
 1091   1HB   MET 115          2HB       MET 115 -12.861 -17.725  -2.926
 1092   2HB   MET 115          1HB       MET 115 -12.791 -19.236  -3.824
 1093   1HG   MET 115          2HG       MET 115 -14.095 -18.345  -5.587
 1094   2HG   MET 115          1HG       MET 115 -14.485 -16.903  -4.662
 1095   1HE   MET 115          2HE       MET 115 -13.904 -15.214  -6.380
 1096   2HE   MET 115          1HE       MET 115 -12.465 -15.239  -7.393
 1097   3HE   MET 115          3HE       MET 115 -13.668 -16.516  -7.539
 1098    QB   MET 115           QB       MET 115 -12.826 -18.480  -3.375
 1099    QG   MET 115           QG       MET 115 -14.290 -17.624  -5.125
 1100    ME   MET 115           QE       MET 115 -13.346 -15.656  -7.104
 1101    H    ARG 116           H        ARG 116 -13.800 -17.530  -0.984
 1102    HA   ARG 116           HA       ARG 116 -13.337 -17.736   1.196
 1103   1HB   ARG 116          2HB       ARG 116 -15.450 -19.864   1.071
 1104   2HB   ARG 116          1HB       ARG 116 -14.813 -19.184   2.569
 1105   1HG   ARG 116          2HG       ARG 116 -15.598 -16.967   1.904
 1106   2HG   ARG 116          1HG       ARG 116 -16.206 -17.630   0.390
 1107   1HD   ARG 116          2HD       ARG 116 -17.166 -18.360   3.158
 1108   2HD   ARG 116          1HD       ARG 116 -17.991 -17.294   2.030
 1109    HE   ARG 116           HE       ARG 116 -17.483 -19.913   0.968
 1110   1HH1  ARG 116          1HH1      ARG 116 -19.815 -17.874   2.676
 1111   2HH1  ARG 116          2HH1      ARG 116 -21.097 -18.976   2.547
 1112   1HH2  ARG 116          1HH2      ARG 116 -19.244 -21.430   0.745
 1113   2HH2  ARG 116          2HH2      ARG 116 -20.754 -21.080   1.419
 1114    QB   ARG 116           QB       ARG 116 -15.131 -19.524   1.820
 1115    QG   ARG 116           QG       ARG 116 -15.902 -17.298   1.147
 1116    QD   ARG 116           QD       ARG 116 -17.579 -17.827   2.594
 1117    QH1  ARG 116           QH1      ARG 116 -20.456 -18.425   2.612
 1118    QH2  ARG 116           QH2      ARG 116 -19.999 -21.255   1.082
 1119    H    SER 117           H        SER 117 -12.688 -20.518  -0.657
 1120    HA   SER 117           HA       SER 117 -11.462 -22.140   1.311
 1121   1HB   SER 117          2HB       SER 117 -10.983 -22.073  -1.655
 1122   2HB   SER 117          1HB       SER 117 -10.733 -23.431  -0.552
 1123    HG   SER 117           HG       SER 117 -12.850 -23.682  -0.315
 1124    QB   SER 117           QB       SER 117 -10.858 -22.752  -1.103
 1125    H    LEU 118           H        LEU 118 -10.506 -19.199   0.154
 1126    HA   LEU 118           HA       LEU 118  -7.751 -19.628  -0.337
 1127   1HB   LEU 118          2HB       LEU 118  -9.102 -17.062   0.508
 1128   2HB   LEU 118          1HB       LEU 118  -7.548 -17.216  -0.281
 1129    HG   LEU 118           HG       LEU 118 -10.249 -17.808  -1.489
 1130   1HD1  LEU 118          1HD1      LEU 118  -8.257 -15.629  -2.043
 1131   2HD1  LEU 118          3HD1      LEU 118  -9.718 -15.941  -2.978
 1132   3HD1  LEU 118          2HD1      LEU 118  -9.839 -15.449  -1.287
 1133   1HD2  LEU 118          2HD2      LEU 118  -7.512 -18.030  -2.753
 1134   2HD2  LEU 118          1HD2      LEU 118  -8.597 -19.370  -2.376
 1135   3HD2  LEU 118          3HD2      LEU 118  -9.049 -18.184  -3.597
 1136    MD1  LEU 118           QD1      LEU 118  -9.271 -15.673  -2.103
 1137    MD2  LEU 118           QD2      LEU 118  -8.386 -18.528  -2.909
 1138    QB   LEU 118           QB       LEU 118  -8.325 -17.139   0.113
 1139    QD   LEU 118           QQD      LEU 118  -8.829 -17.100  -2.506
 1140    H    GLY 119           H        GLY 119  -9.659 -19.108   2.495
 1141   1HA   GLY 119          1HA       GLY 119  -7.780 -18.258   4.325
 1142   2HA   GLY 119          2HA       GLY 119  -7.532 -19.985   4.166
 1143    QA   GLY 119           QA       GLY 119  -7.656 -19.122   4.245
 1144    H    LEU 120           H        LEU 120 -10.673 -18.438   3.936
 1145    HA   LEU 120           HA       LEU 120 -11.441 -18.743   6.641
 1146   1HB   LEU 120          2HB       LEU 120 -12.503 -17.205   4.959
 1147   2HB   LEU 120          1HB       LEU 120 -13.169 -18.640   4.199
 1148    HG   LEU 120           HG       LEU 120 -14.479 -19.124   6.216
 1149   1HD1  LEU 120          1HD1      LEU 120 -13.423 -16.484   7.214
 1150   2HD1  LEU 120          3HD1      LEU 120 -14.705 -17.436   7.962
 1151   3HD1  LEU 120          2HD1      LEU 120 -13.063 -18.075   7.890
 1152   1HD2  LEU 120          1HD2      LEU 120 -14.878 -16.355   5.092
 1153   2HD2  LEU 120          3HD2      LEU 120 -15.474 -17.863   4.397
 1154   3HD2  LEU 120          2HD2      LEU 120 -16.088 -17.299   5.953
 1155    MD1  LEU 120           QD1      LEU 120 -13.730 -17.332   7.689
 1156    MD2  LEU 120           QD2      LEU 120 -15.480 -17.172   5.147
 1157    QB   LEU 120           QB       LEU 120 -12.836 -17.923   4.579
 1158    QD   LEU 120           QQD      LEU 120 -14.605 -17.252   6.418
 1159    H    ALA 121           H        ALA 121 -12.148 -20.660   3.741
 1160    HA   ALA 121           HA       ALA 121 -13.595 -22.500   5.320
 1161   1HB   ALA 121          3HB       ALA 121 -14.175 -23.682   3.298
 1162   2HB   ALA 121          2HB       ALA 121 -14.387 -21.949   3.065
 1163   3HB   ALA 121          1HB       ALA 121 -12.983 -22.763   2.380
 1164    MB   ALA 121           QB       ALA 121 -13.848 -22.798   2.914
 1165    H    GLU 122           H        GLU 122 -11.901 -23.029   6.661
 1166    HA   GLU 122           HA       GLU 122 -10.033 -25.105   5.725
 1167   1HB   GLU 122          2HB       GLU 122  -9.364 -23.227   7.323
 1168   2HB   GLU 122          1HB       GLU 122 -10.446 -23.934   8.497
 1169   1HG   GLU 122          2HG       GLU 122  -8.229 -24.627   9.020
 1170   2HG   GLU 122          1HG       GLU 122  -9.098 -26.023   8.387
 1171    QB   GLU 122           QB       GLU 122  -9.905 -23.580   7.910
 1172    QG   GLU 122           QG       GLU 122  -8.664 -25.325   8.704
 1173    H    SER 123           H        SER 123 -13.115 -24.629   6.687
 1174    HA   SER 123           HA       SER 123 -13.439 -26.857   8.423
 1175   1HB   SER 123          2HB       SER 123 -15.853 -25.928   8.235
 1176   2HB   SER 123          1HB       SER 123 -14.637 -25.006   9.131
 1177    HG   SER 123           HG       SER 123 -15.650 -24.589   6.537
 1178    QB   SER 123           QB       SER 123 -15.245 -25.467   8.683
 1179    H    ARG 124           H        ARG 124 -13.028 -28.566   7.148
 1180    HA   ARG 124           HA       ARG 124 -14.894 -29.115   4.978
 1181   1HB   ARG 124          2HB       ARG 124 -13.801 -31.352   4.768
 1182   2HB   ARG 124          1HB       ARG 124 -12.664 -30.030   4.602
 1183   1HG   ARG 124          2HG       ARG 124 -12.993 -31.391   7.254
 1184   2HG   ARG 124          1HG       ARG 124 -12.034 -32.152   5.985
 1185   1HD   ARG 124          2HD       ARG 124 -11.566 -29.382   7.128
 1186   2HD   ARG 124          1HD       ARG 124 -10.632 -30.835   7.494
 1187    HE   ARG 124           HE       ARG 124 -10.582 -30.624   4.782
 1188   1HH1  ARG 124          1HH1      ARG 124  -9.482 -28.585   7.438
 1189   2HH1  ARG 124          2HH1      ARG 124  -8.250 -27.813   6.561
 1190   1HH2  ARG 124          1HH2      ARG 124  -8.876 -29.667   3.575
 1191   2HH2  ARG 124          2HH2      ARG 124  -7.871 -28.475   4.273
 1192    QB   ARG 124           QB       ARG 124 -13.232 -30.691   4.685
 1193    QG   ARG 124           QG       ARG 124 -12.514 -31.771   6.619
 1194    QD   ARG 124           QD       ARG 124 -11.099 -30.109   7.311
 1195    QH1  ARG 124           QH1      ARG 124  -8.866 -28.199   7.000
 1196    QH2  ARG 124           QH2      ARG 124  -8.374 -29.071   3.924
 1197    H    GLN 125           H        GLN 125 -14.778 -29.262   8.234
 1198    HA   GLN 125           HA       GLN 125 -17.145 -30.931   8.409
 1199   1HB   GLN 125          2HB       GLN 125 -15.239 -32.372   9.014
 1200   2HB   GLN 125          1HB       GLN 125 -14.699 -31.169  10.172
 1201   1HG   GLN 125          2HG       GLN 125 -15.836 -33.061  11.242
 1202   2HG   GLN 125          1HG       GLN 125 -16.663 -31.533  11.524
 1203   1HE2  GLN 125          1HE2      GLN 125 -16.750 -34.527   9.783
 1204   2HE2  GLN 125          2HE2      GLN 125 -18.424 -34.459   9.370
 1205    QB   GLN 125           QB       GLN 125 -14.969 -31.771   9.593
 1206    QG   GLN 125           QG       GLN 125 -16.249 -32.297  11.383
 1207    QE   GLN 125           QE2      GLN 125 -17.587 -34.493   9.576

  No H/Q in entry =        1207
  Start of MODEL   18
    1    H1   LEU   5          3HT       LEU   5  -9.828  34.373 -22.865
    2    H2   LEU   5          2HT       LEU   5  -9.636  33.038 -23.853
    3    H3   LEU   5          1HT       LEU   5 -11.027  33.193 -22.891
    4    HA   LEU   5           HA       LEU   5  -9.629  33.105 -20.916
    5   1HB   LEU   5          2HB       LEU   5  -9.282  30.811 -22.854
    6   2HB   LEU   5          1HB       LEU   5  -8.620  30.740 -21.238
    7    HG   LEU   5           HG       LEU   5 -10.585  29.474 -21.251
    8   1HD1  LEU   5          1HD1      LEU   5 -11.244  32.105 -19.986
    9   2HD1  LEU   5          3HD1      LEU   5 -12.096  30.583 -19.708
   10   3HD1  LEU   5          2HD1      LEU   5 -10.398  30.733 -19.265
   11   1HD2  LEU   5          2HD2      LEU   5 -11.585  30.262 -23.286
   12   2HD2  LEU   5          1HD2      LEU   5 -12.772  30.280 -21.976
   13   3HD2  LEU   5          3HD2      LEU   5 -12.027  31.786 -22.523
   14    MD1  LEU   5           QD1      LEU   5 -11.246  31.140 -19.653
   15    MD2  LEU   5           QD2      LEU   5 -12.128  30.776 -22.595
   16    QB   LEU   5           QB       LEU   5  -8.951  30.776 -22.046
   17    QD   LEU   5           QQD      LEU   5 -11.687  30.958 -21.124
   18    H    GLU   6           H        GLU   6  -7.408  32.087 -20.276
   19    HA   GLU   6           HA       GLU   6  -5.310  33.288 -21.881
   20   1HB   GLU   6          2HB       GLU   6  -5.885  34.712 -19.902
   21   2HB   GLU   6          1HB       GLU   6  -5.612  33.263 -18.936
   22   1HG   GLU   6          2HG       GLU   6  -3.860  34.980 -18.900
   23   2HG   GLU   6          1HG       GLU   6  -3.279  33.362 -19.335
   24    QB   GLU   6           QB       GLU   6  -5.748  33.987 -19.419
   25    QG   GLU   6           QG       GLU   6  -3.570  34.171 -19.118
   26    H    ALA   7           H        ALA   7  -3.265  32.391 -21.381
   27    HA   ALA   7           HA       ALA   7  -3.040  29.654 -21.712
   28   1HB   ALA   7          3HB       ALA   7  -1.025  31.442 -20.349
   29   2HB   ALA   7          2HB       ALA   7  -0.701  29.882 -21.102
   30   3HB   ALA   7          1HB       ALA   7  -1.206  31.253 -22.091
   31    MB   ALA   7           QB       ALA   7  -0.977  30.859 -21.181
   32    H    ASP   8           H        ASP   8  -2.896  27.921 -20.415
   33    HA   ASP   8           HA       ASP   8  -4.122  28.167 -17.865
   34   1HB   ASP   8          2HB       ASP   8  -4.507  26.334 -19.538
   35   2HB   ASP   8          1HB       ASP   8  -2.907  25.729 -19.133
   36    QB   ASP   8           QB       ASP   8  -3.707  26.031 -19.336
   37    H    VAL   9           H        VAL   9  -3.141  28.163 -15.914
   38    HA   VAL   9           HA       VAL   9  -0.502  28.592 -15.742
   39    HB   VAL   9           HB       VAL   9  -0.751  28.457 -13.249
   40   1HG1  VAL   9          1HG1      VAL   9  -2.713  30.116 -14.816
   41   2HG1  VAL   9          3HG1      VAL   9  -2.227  30.433 -13.154
   42   3HG1  VAL   9          2HG1      VAL   9  -1.037  30.543 -14.450
   43   1HG2  VAL   9          3HG2      VAL   9  -2.492  26.773 -13.243
   44   2HG2  VAL   9          2HG2      VAL   9  -3.020  28.231 -12.375
   45   3HG2  VAL   9          1HG2      VAL   9  -3.585  27.907 -14.028
   46    MG1  VAL   9           QG1      VAL   9  -1.992  30.364 -14.140
   47    MG2  VAL   9           QG2      VAL   9  -3.032  27.637 -13.216
   48    QG   VAL   9           QQG      VAL   9  -2.512  29.000 -13.678
   49    H    THR  10           H        THR  10  -2.117  25.628 -15.879
   50    HA   THR  10           HA       THR  10  -1.645  23.500 -15.631
   51    HB   THR  10           HB       THR  10   0.491  22.694 -16.110
   52    HG1  THR  10          1HG       THR  10   1.281  25.291 -15.469
   53   1HG2  THR  10          2HG2      THR  10  -0.286  25.005 -17.870
   54   2HG2  THR  10          1HG2      THR  10   0.818  23.720 -18.359
   55   3HG2  THR  10          3HG2      THR  10  -0.859  23.338 -17.969
   56    MG   THR  10           QG2      THR  10  -0.109  24.021 -18.066
   57    H    MET  11           H        MET  11  -2.200  22.553 -13.826
   58    HA   MET  11           HA       MET  11  -1.173  23.260 -11.308
   59   1HB   MET  11          2HB       MET  11  -2.705  20.823 -12.205
   60   2HB   MET  11          1HB       MET  11  -2.318  21.182 -10.535
   61   1HG   MET  11          2HG       MET  11  -3.595  23.307 -10.765
   62   2HG   MET  11          1HG       MET  11  -4.062  22.786 -12.379
   63   1HE   MET  11          2HE       MET  11  -6.049  23.647 -10.104
   64   2HE   MET  11          1HE       MET  11  -6.617  23.134 -11.690
   65   3HE   MET  11          3HE       MET  11  -7.332  22.437 -10.233
   66    QB   MET  11           QB       MET  11  -2.511  21.002 -11.370
   67    QG   MET  11           QG       MET  11  -3.828  23.047 -11.572
   68    ME   MET  11           QE       MET  11  -6.666  23.073 -10.676
   69    H    THR  12           H        THR  12  -0.427  20.883 -13.694
   70    HA   THR  12           HA       THR  12   1.167  19.326 -13.978
   71    HB   THR  12           HB       THR  12   3.393  19.972 -13.466
   72    HG1  THR  12          1HG       THR  12   2.172  22.461 -12.676
   73   1HG2  THR  12          1HG2      THR  12   2.384  20.499 -15.613
   74   2HG2  THR  12          3HG2      THR  12   1.798  22.030 -14.949
   75   3HG2  THR  12          2HG2      THR  12   3.527  21.759 -15.151
   76    MG   THR  12           QG2      THR  12   2.570  21.429 -15.238
   77    H    GLY  13           H        GLY  13   2.829  20.365 -11.226
   78   1HA   GLY  13          1HA       GLY  13   2.680  17.620 -10.221
   79   2HA   GLY  13          2HA       GLY  13   2.642  19.019  -9.140
   80    QA   GLY  13           QA       GLY  13   2.661  18.319  -9.681
   81    H    SER  14           H        SER  14   4.553  19.225  -8.229
   82    HA   SER  14           HA       SER  14   6.909  18.660  -9.856
   83   1HB   SER  14          2HB       SER  14   7.968  20.669  -8.612
   84   2HB   SER  14          1HB       SER  14   6.836  20.992  -9.926
   85    HG   SER  14           HG       SER  14   6.506  21.338  -7.155
   86    QB   SER  14           QB       SER  14   7.402  20.830  -9.269
   87    H    ASP  15           H        ASP  15   5.784  19.204  -6.467
   88    HA   ASP  15           HA       ASP  15   8.057  17.778  -5.548
   89   1HB   ASP  15          2HB       ASP  15   7.342  18.721  -3.425
   90   2HB   ASP  15          1HB       ASP  15   7.823  19.977  -4.522
   91    QB   ASP  15           QB       ASP  15   7.582  19.349  -3.974
   92    H    LEU  16           H        LEU  16   6.337  16.343  -6.731
   93    HA   LEU  16           HA       LEU  16   5.337  14.721  -4.545
   94   1HB   LEU  16          2HB       LEU  16   4.424  14.671  -7.383
   95   2HB   LEU  16          1HB       LEU  16   3.798  13.692  -6.065
   96    HG   LEU  16           HG       LEU  16   2.180  15.179  -6.422
   97   1HD1  LEU  16          1HD1      LEU  16   2.595  15.217  -4.100
   98   2HD1  LEU  16          3HD1      LEU  16   3.746  16.539  -4.285
   99   3HD1  LEU  16          2HD1      LEU  16   2.035  16.807  -4.624
  100   1HD2  LEU  16          1HD2      LEU  16   4.168  17.347  -6.900
  101   2HD2  LEU  16          3HD2      LEU  16   3.167  16.448  -8.048
  102   3HD2  LEU  16          2HD2      LEU  16   2.393  17.547  -6.899
  103    MD1  LEU  16           QD1      LEU  16   2.792  16.188  -4.336
  104    MD2  LEU  16           QD2      LEU  16   3.243  17.114  -7.282
  105    QB   LEU  16           QB       LEU  16   4.111  14.182  -6.724
  106    QD   LEU  16           QQD      LEU  16   3.017  16.651  -5.809
  107    H    VAL  17           H        VAL  17   5.492  12.619  -4.773
  108    HA   VAL  17           HA       VAL  17   7.514  11.697  -6.400
  109    HB   VAL  17           HB       VAL  17   7.756  12.010  -3.433
  110   1HG1  VAL  17          3HG1      VAL  17   8.892   9.959  -5.120
  111   2HG1  VAL  17          2HG1      VAL  17   9.702  10.409  -3.564
  112   3HG1  VAL  17          1HG1      VAL  17   8.012   9.754  -3.591
  113   1HG2  VAL  17          3HG2      VAL  17   8.935  13.601  -4.916
  114   2HG2  VAL  17          2HG2      VAL  17  10.040  12.680  -3.895
  115   3HG2  VAL  17          1HG2      VAL  17   9.847  12.252  -5.593
  116    MG1  VAL  17           QG1      VAL  17   8.869  10.041  -4.092
  117    MG2  VAL  17           QG2      VAL  17   9.607  12.845  -4.801
  118    QG   VAL  17           QQG      VAL  17   9.238  11.443  -4.447
  119    H    SER  18           H        SER  18   7.323   9.402  -6.379
  120    HA   SER  18           HA       SER  18   5.144   8.267  -4.806
  121   1HB   SER  18          2HB       SER  18   4.504   6.826  -6.717
  122   2HB   SER  18          1HB       SER  18   4.281   8.536  -7.068
  123    HG   SER  18           HG       SER  18   6.657   7.217  -7.714
  124    QB   SER  18           QB       SER  18   4.393   7.681  -6.892
  125    H    CYS  19           H        CYS  19   6.026   6.937  -3.469
  126    HA   CYS  19           HA       CYS  19   8.344   5.389  -4.248
  127   1HB   CYS  19          2HB       CYS  19   6.820   5.597  -1.644
  128   2HB   CYS  19          1HB       CYS  19   8.277   4.634  -1.865
  129    HG   CYS  19           HG       CYS  19   9.965   6.540  -1.366
  130    QB   CYS  19           QB       CYS  19   7.549   5.115  -1.755
  131    H    CYS  20           H        CYS  20   8.085   3.443  -5.083
  132    HA   CYS  20           HA       CYS  20   5.406   2.221  -5.000
  133   1HB   CYS  20          2HB       CYS  20   7.494   2.001  -7.167
  134   2HB   CYS  20          1HB       CYS  20   5.812   1.494  -7.238
  135    HG   CYS  20           HG       CYS  20   6.456   3.846  -8.822
  136    QB   CYS  20           QB       CYS  20   6.653   1.748  -7.202
  137    H    TYR  21           H        TYR  21   5.477   0.358  -3.788
  138    HA   TYR  21           HA       TYR  21   8.136  -0.816  -3.724
  139   1HB   TYR  21          2HB       TYR  21   8.041  -1.195  -1.426
  140   2HB   TYR  21          1HB       TYR  21   7.629   0.487  -1.790
  141    HD1  TYR  21          1HD       TYR  21   5.677  -2.677  -1.223
  142    HD2  TYR  21          2HD       TYR  21   6.429   1.380  -0.327
  143    HE1  TYR  21          1HE       TYR  21   3.880  -2.703   0.479
  144    HE2  TYR  21          2HE       TYR  21   4.750   1.397   1.288
  145    HH   TYR  21           HH       TYR  21   2.617   0.046   1.735
  146    QB   TYR  21           QB       TYR  21   7.835  -0.354  -1.608
  147    QD   TYR  21           QD       TYR  21   6.053  -0.648  -0.775
  148    QE   TYR  21           QE       TYR  21   4.315  -0.653   0.884
  149    QR   TYR  21           QR       TYR  21   5.184  -0.651   0.054
  150    H    ARG  22           H        ARG  22   8.123  -2.870  -2.600
  151    HA   ARG  22           HA       ARG  22   6.146  -4.741  -3.691
  152   1HB   ARG  22          2HB       ARG  22   8.135  -5.097  -4.776
  153   2HB   ARG  22          1HB       ARG  22   9.091  -4.587  -3.398
  154   1HG   ARG  22          2HG       ARG  22   8.293  -6.755  -2.303
  155   2HG   ARG  22          1HG       ARG  22   7.826  -7.232  -3.946
  156   1HD   ARG  22          2HD       ARG  22  10.029  -6.882  -4.745
  157   2HD   ARG  22          1HD       ARG  22  10.475  -6.151  -3.198
  158    HE   ARG  22           HE       ARG  22   9.700  -8.562  -2.441
  159   1HH1  ARG  22          1HH1      ARG  22  12.077  -7.494  -4.852
  160   2HH1  ARG  22          2HH1      ARG  22  13.057  -8.857  -4.721
  161   1HH2  ARG  22          1HH2      ARG  22  11.092 -10.508  -2.281
  162   2HH2  ARG  22          2HH2      ARG  22  12.489 -10.600  -3.233
  163    QB   ARG  22           QB       ARG  22   8.613  -4.842  -4.087
  164    QG   ARG  22           QG       ARG  22   8.059  -6.993  -3.125
  165    QD   ARG  22           QD       ARG  22  10.252  -6.516  -3.972
  166    QH1  ARG  22           QH1      ARG  22  12.567  -8.175  -4.787
  167    QH2  ARG  22           QH2      ARG  22  11.790 -10.554  -2.757
  168    H    SER  23           H        SER  23   5.255  -6.152  -2.177
  169    HA   SER  23           HA       SER  23   6.672  -6.728   0.270
  170   1HB   SER  23          2HB       SER  23   3.852  -5.669   0.148
  171   2HB   SER  23          1HB       SER  23   4.512  -6.518   1.554
  172    HG   SER  23           HG       SER  23   5.873  -4.372   0.422
  173    QB   SER  23           QB       SER  23   4.182  -6.093   0.851
  174    H    LEU  24           H        LEU  24   6.454  -8.795   0.763
  175    HA   LEU  24           HA       LEU  24   4.574 -10.371  -0.881
  176   1HB   LEU  24          2HB       LEU  24   6.977 -11.216   0.734
  177   2HB   LEU  24          1HB       LEU  24   5.817 -12.393   0.174
  178    HG   LEU  24           HG       LEU  24   7.774 -12.357  -1.254
  179   1HD1  LEU  24          2HD1      LEU  24   5.346 -11.241  -2.632
  180   2HD1  LEU  24          1HD1      LEU  24   6.692 -12.060  -3.420
  181   3HD1  LEU  24          3HD1      LEU  24   5.677 -12.934  -2.275
  182   1HD2  LEU  24          1HD2      LEU  24   8.400  -9.996  -0.892
  183   2HD2  LEU  24          3HD2      LEU  24   8.398 -10.442  -2.603
  184   3HD2  LEU  24          2HD2      LEU  24   7.055  -9.507  -1.939
  185    MD1  LEU  24           QD1      LEU  24   5.905 -12.079  -2.776
  186    MD2  LEU  24           QD2      LEU  24   7.951  -9.982  -1.811
  187    QB   LEU  24           QB       LEU  24   6.397 -11.805   0.454
  188    QD   LEU  24           QQD      LEU  24   6.928 -11.030  -2.294
  189    H    ALA  25           H        ALA  25   2.958  -9.223   0.624
  190    HA   ALA  25           HA       ALA  25   2.367  -9.049   3.133
  191   1HB   ALA  25          2HB       ALA  25   0.393 -10.376   1.280
  192   2HB   ALA  25          3HB       ALA  25   0.631  -8.647   1.596
  193   3HB   ALA  25          1HB       ALA  25   0.029  -9.673   2.869
  194    MB   ALA  25           QB       ALA  25   0.351  -9.565   1.915
  195    H    ALA  26           H        ALA  26   2.501 -10.023   5.037
  196    HA   ALA  26           HA       ALA  26   3.355 -12.559   5.208
  197   1HB   ALA  26          1HB       ALA  26   3.975 -10.915   6.755
  198   2HB   ALA  26          3HB       ALA  26   2.311 -10.497   7.070
  199   3HB   ALA  26          2HB       ALA  26   2.946 -12.038   7.679
  200    MB   ALA  26           QB       ALA  26   3.077 -11.150   7.168
  201    HA   PRO  27           HA       PRO  27  -0.827 -14.486   5.105
  202   1HB   PRO  27          2HB       PRO  27   0.062 -16.948   5.869
  203   2HB   PRO  27          1HB       PRO  27   0.225 -16.344   4.210
  204   1HG   PRO  27          2HG       PRO  27   2.209 -16.013   6.464
  205   2HG   PRO  27          1HG       PRO  27   2.518 -16.849   4.888
  206   1HD   PRO  27          2HD       PRO  27   3.268 -14.458   5.279
  207   2HD   PRO  27          1HD       PRO  27   2.269 -14.726   3.827
  208    QB   PRO  27           QB       PRO  27   0.143 -16.646   5.040
  209    QG   PRO  27           QG       PRO  27   2.363 -16.431   5.676
  210    QD   PRO  27           QD       PRO  27   2.768 -14.592   4.553
  211    H    ASP  28           H        ASP  28   1.124 -13.806   7.580
  212    HA   ASP  28           HA       ASP  28  -0.359 -15.130   9.724
  213   1HB   ASP  28          2HB       ASP  28   2.212 -13.579   9.692
  214   2HB   ASP  28          1HB       ASP  28   1.441 -14.139  11.159
  215    QB   ASP  28           QB       ASP  28   1.826 -13.859  10.426
  216    H    LEU  29           H        LEU  29  -0.723 -12.406   8.012
  217    HA   LEU  29           HA       LEU  29  -0.859 -10.414  10.018
  218   1HB   LEU  29          2HB       LEU  29  -2.064 -10.484   7.289
  219   2HB   LEU  29          1HB       LEU  29  -2.076  -9.096   8.351
  220    HG   LEU  29           HG       LEU  29   0.299 -10.399   7.084
  221   1HD1  LEU  29          3HD1      LEU  29  -1.039  -7.765   6.758
  222   2HD1  LEU  29          2HD1      LEU  29   0.473  -8.252   5.946
  223   3HD1  LEU  29          1HD1      LEU  29  -1.049  -9.102   5.605
  224   1HD2  LEU  29          2HD2      LEU  29   0.124  -8.123   9.037
  225   2HD2  LEU  29          1HD2      LEU  29   0.966  -9.644   9.268
  226   3HD2  LEU  29          3HD2      LEU  29   1.567  -8.479   8.079
  227    MD1  LEU  29           QD1      LEU  29  -0.538  -8.373   6.103
  228    MD2  LEU  29           QD2      LEU  29   0.885  -8.749   8.795
  229    QB   LEU  29           QB       LEU  29  -2.070  -9.790   7.820
  230    QD   LEU  29           QQD      LEU  29   0.173  -8.561   7.449
  231    H    THR  30           H        THR  30  -2.523  -9.489  10.976
  232    HA   THR  30           HA       THR  30  -4.889 -11.003  11.390
  233    HB   THR  30           HB       THR  30  -5.128  -8.683  12.522
  234    HG1  THR  30          1HG       THR  30  -3.126  -7.827  12.789
  235   1HG2  THR  30          1HG2      THR  30  -3.767 -11.130  13.442
  236   2HG2  THR  30          3HG2      THR  30  -4.400  -9.877  14.540
  237   3HG2  THR  30          2HG2      THR  30  -5.514 -10.751  13.458
  238    MG   THR  30           QG2      THR  30  -4.560 -10.586  13.813
  239    H    LEU  31           H        LEU  31  -6.796 -10.545  10.726
  240    HA   LEU  31           HA       LEU  31  -7.431  -9.067   8.398
  241   1HB   LEU  31          2HB       LEU  31  -8.787 -10.847   9.536
  242   2HB   LEU  31          1HB       LEU  31  -9.020  -9.577  10.753
  243    HG   LEU  31           HG       LEU  31 -10.261  -8.210   9.187
  244   1HD1  LEU  31          2HD1      LEU  31  -9.213  -8.873   7.132
  245   2HD1  LEU  31          1HD1      LEU  31  -9.980 -10.471   7.217
  246   3HD1  LEU  31          3HD1      LEU  31 -10.962  -9.005   7.051
  247   1HD2  LEU  31          3HD2      LEU  31 -11.321 -11.014   9.369
  248   2HD2  LEU  31          2HD2      LEU  31 -11.503  -9.743  10.574
  249   3HD2  LEU  31          1HD2      LEU  31 -12.285  -9.583   8.998
  250    MD1  LEU  31           QD1      LEU  31 -10.052  -9.449   7.133
  251    MD2  LEU  31           QD2      LEU  31 -11.703 -10.114   9.647
  252    QB   LEU  31           QB       LEU  31  -8.904 -10.212  10.144
  253    QD   LEU  31           QQD      LEU  31 -10.877  -9.782   8.390
  254    H    ARG  32           H        ARG  32  -7.596  -8.091  11.819
  255    HA   ARG  32           HA       ARG  32  -8.746  -5.715  10.781
  256   1HB   ARG  32          2HB       ARG  32  -8.958  -6.841  13.278
  257   2HB   ARG  32          1HB       ARG  32  -8.007  -5.376  13.546
  258   1HG   ARG  32          2HG       ARG  32 -10.402  -5.244  11.806
  259   2HG   ARG  32          1HG       ARG  32 -10.656  -5.184  13.572
  260   1HD   ARG  32          2HD       ARG  32  -8.780  -3.398  12.048
  261   2HD   ARG  32          1HD       ARG  32 -10.500  -3.059  12.117
  262    HE   ARG  32           HE       ARG  32 -10.319  -2.824  14.483
  263   1HH1  ARG  32          1HH1      ARG  32  -7.130  -3.011  12.930
  264   2HH1  ARG  32          2HH1      ARG  32  -6.365  -2.011  14.057
  265   1HH2  ARG  32          1HH2      ARG  32  -9.200  -1.398  16.053
  266   2HH2  ARG  32          2HH2      ARG  32  -7.542  -1.078  15.845
  267    QB   ARG  32           QB       ARG  32  -8.483  -6.109  13.412
  268    QG   ARG  32           QG       ARG  32 -10.529  -5.214  12.689
  269    QD   ARG  32           QD       ARG  32  -9.640  -3.229  12.083
  270    QH1  ARG  32           QH1      ARG  32  -6.748  -2.511  13.493
  271    QH2  ARG  32           QH2      ARG  32  -8.371  -1.238  15.949
  272    H    ASP  33           H        ASP  33  -5.721  -6.732  11.047
  273    HA   ASP  33           HA       ASP  33  -4.609  -4.109  11.106
  274   1HB   ASP  33          2HB       ASP  33  -3.486  -6.806  10.428
  275   2HB   ASP  33          1HB       ASP  33  -2.627  -5.363   9.896
  276    QB   ASP  33           QB       ASP  33  -3.057  -6.084  10.162
  277    H    LEU  34           H        LEU  34  -5.880  -6.332   8.636
  278    HA   LEU  34           HA       LEU  34  -4.973  -4.668   6.433
  279   1HB   LEU  34          2HB       LEU  34  -7.215  -6.711   6.499
  280   2HB   LEU  34          1HB       LEU  34  -6.824  -5.791   5.075
  281    HG   LEU  34           HG       LEU  34  -5.993  -8.051   4.909
  282   1HD1  LEU  34          2HD1      LEU  34  -4.669  -6.306   3.831
  283   2HD1  LEU  34          1HD1      LEU  34  -3.704  -6.135   5.296
  284   3HD1  LEU  34          3HD1      LEU  34  -3.663  -7.641   4.386
  285   1HD2  LEU  34          1HD2      LEU  34  -5.831  -8.339   7.296
  286   2HD2  LEU  34          3HD2      LEU  34  -4.413  -8.974   6.425
  287   3HD2  LEU  34          2HD2      LEU  34  -4.315  -7.400   7.257
  288    MD1  LEU  34           QD1      LEU  34  -4.012  -6.694   4.504
  289    MD2  LEU  34           QD2      LEU  34  -4.853  -8.238   6.992
  290    QB   LEU  34           QB       LEU  34  -7.019  -6.251   5.787
  291    QD   LEU  34           QQD      LEU  34  -4.432  -7.466   5.748
  292    H    LEU  35           H        LEU  35  -7.821  -5.063   8.231
  293    HA   LEU  35           HA       LEU  35  -9.385  -3.124   6.863
  294   1HB   LEU  35          2HB       LEU  35  -9.648  -4.396   9.581
  295   2HB   LEU  35          1HB       LEU  35 -10.777  -3.185   9.028
  296    HG   LEU  35           HG       LEU  35 -11.440  -5.655   8.818
  297   1HD1  LEU  35          3HD1      LEU  35 -11.536  -3.852   6.381
  298   2HD1  LEU  35          2HD1      LEU  35 -12.603  -5.229   6.664
  299   3HD1  LEU  35          1HD1      LEU  35 -12.676  -3.823   7.725
  300   1HD2  LEU  35          1HD2      LEU  35  -9.308  -6.419   7.791
  301   2HD2  LEU  35          3HD2      LEU  35 -10.707  -6.825   6.781
  302   3HD2  LEU  35          2HD2      LEU  35  -9.653  -5.450   6.397
  303    MD1  LEU  35           QD1      LEU  35 -12.271  -4.301   6.923
  304    MD2  LEU  35           QD2      LEU  35  -9.889  -6.231   6.990
  305    QB   LEU  35           QB       LEU  35 -10.213  -3.791   9.304
  306    QD   LEU  35           QQD      LEU  35 -11.080  -5.266   6.957
  307    H    ASP  36           H        ASP  36  -7.405  -2.977   9.694
  308    HA   ASP  36           HA       ASP  36  -7.804  -0.191  10.160
  309   1HB   ASP  36          2HB       ASP  36  -6.601  -1.673  11.797
  310   2HB   ASP  36          1HB       ASP  36  -5.199  -1.616  10.729
  311    QB   ASP  36           QB       ASP  36  -5.900  -1.644  11.263
  312    H    ILE  37           H        ILE  37  -5.561  -1.858   7.980
  313    HA   ILE  37           HA       ILE  37  -4.010   0.289   7.059
  314    HB   ILE  37           HB       ILE  37  -5.167  -1.914   5.306
  315   1HG1  ILE  37          2HG1      ILE  37  -2.466  -1.870   6.650
  316   2HG1  ILE  37          1HG1      ILE  37  -3.858  -2.744   7.274
  317   1HG2  ILE  37          1HG2      ILE  37  -4.282  -0.085   3.981
  318   2HG2  ILE  37          3HG2      ILE  37  -2.749  -0.158   4.855
  319   3HG2  ILE  37          2HG2      ILE  37  -3.244  -1.501   3.825
  320   1HD1  ILE  37          3HD1      ILE  37  -3.890  -3.975   5.029
  321   2HD1  ILE  37          2HD1      ILE  37  -2.305  -3.265   4.769
  322   3HD1  ILE  37          1HD1      ILE  37  -2.562  -4.346   6.133
  323    MG   ILE  37           QG2      ILE  37  -3.425  -0.581   4.220
  324    MD   ILE  37           QD1      ILE  37  -2.919  -3.862   5.310
  325    QG   ILE  37           QG1      ILE  37  -3.162  -2.307   6.962
  326    H    VAL  38           H        VAL  38  -7.051  -0.944   5.757
  327    HA   VAL  38           HA       VAL  38  -7.342   1.165   3.906
  328    HB   VAL  38           HB       VAL  38  -8.332  -1.115   3.549
  329   1HG1  VAL  38          1HG1      VAL  38 -10.278  -0.464   5.665
  330   2HG1  VAL  38          3HG1      VAL  38 -10.347  -1.822   4.517
  331   3HG1  VAL  38          2HG1      VAL  38  -8.989  -1.689   5.619
  332   1HG2  VAL  38          2HG2      VAL  38 -10.356   1.115   3.435
  333   2HG2  VAL  38          1HG2      VAL  38  -9.207   0.687   2.167
  334   3HG2  VAL  38          3HG2      VAL  38 -10.503  -0.431   2.596
  335    MG1  VAL  38           QG1      VAL  38  -9.872  -1.325   5.267
  336    MG2  VAL  38           QG2      VAL  38 -10.022   0.457   2.733
  337    QG   VAL  38           QQG      VAL  38  -9.947  -0.434   4.000
  338    H    GLU  39           H        GLU  39  -7.928   1.117   7.198
  339    HA   GLU  39           HA       GLU  39  -9.879   3.220   7.189
  340   1HB   GLU  39          2HB       GLU  39  -9.957   1.413   8.834
  341   2HB   GLU  39          1HB       GLU  39  -8.329   1.804   9.357
  342   1HG   GLU  39          2HG       GLU  39  -9.870   2.665  10.956
  343   2HG   GLU  39          1HG       GLU  39  -9.115   3.975  10.021
  344    QB   GLU  39           QB       GLU  39  -9.143   1.608   9.095
  345    QG   GLU  39           QG       GLU  39  -9.492   3.320  10.488
  346    H    THR  40           H        THR  40  -6.600   2.729   8.499
  347    HA   THR  40           HA       THR  40  -6.169   5.404   9.221
  348    HB   THR  40           HB       THR  40  -4.241   3.095   8.962
  349    HG1  THR  40          1HG       THR  40  -5.021   2.429  10.837
  350   1HG2  THR  40          1HG2      THR  40  -3.092   5.262   9.174
  351   2HG2  THR  40          3HG2      THR  40  -4.060   5.633  10.609
  352   3HG2  THR  40          2HG2      THR  40  -2.910   4.287  10.636
  353    MG   THR  40           QG2      THR  40  -3.354   5.061  10.140
  354    H    SER  41           H        SER  41  -5.158   3.522   6.367
  355    HA   SER  41           HA       SER  41  -3.050   5.116   5.524
  356   1HB   SER  41          2HB       SER  41  -3.550   2.860   4.619
  357   2HB   SER  41          1HB       SER  41  -4.953   3.516   3.788
  358    HG   SER  41           HG       SER  41  -3.473   3.597   2.266
  359    QB   SER  41           QB       SER  41  -4.251   3.188   4.203
  360    H    GLN  42           H        GLN  42  -6.456   5.321   4.596
  361    HA   GLN  42           HA       GLN  42  -6.261   7.432   2.743
  362   1HB   GLN  42          2HB       GLN  42  -8.474   6.611   4.549
  363   2HB   GLN  42          1HB       GLN  42  -8.643   7.764   3.234
  364   1HG   GLN  42          2HG       GLN  42  -8.200   6.146   1.624
  365   2HG   GLN  42          1HG       GLN  42  -7.644   4.990   2.831
  366   1HE2  GLN  42          1HE2      GLN  42  -9.853   5.684   4.693
  367   2HE2  GLN  42          2HE2      GLN  42 -11.174   4.850   3.933
  368    QB   GLN  42           QB       GLN  42  -8.559   7.188   3.891
  369    QG   GLN  42           QG       GLN  42  -7.922   5.568   2.227
  370    QE   GLN  42           QE2      GLN  42 -10.514   5.267   4.313
  371    H    ALA  43           H        ALA  43  -6.810   7.359   6.172
  372    HA   ALA  43           HA       ALA  43  -7.636  10.002   6.460
  373   1HB   ALA  43          1HB       ALA  43  -7.504   9.558   8.807
  374   2HB   ALA  43          2HB       ALA  43  -6.357   8.231   8.500
  375   3HB   ALA  43          3HB       ALA  43  -8.017   8.113   7.906
  376    MB   ALA  43           QB       ALA  43  -7.293   8.634   8.404
  377    H    HIS  44           H        HIS  44  -4.415   8.588   6.767
  378    HA   HIS  44           HA       HIS  44  -3.208  11.164   7.342
  379   1HB   HIS  44          2HB       HIS  44  -2.139   9.025   8.114
  380   2HB   HIS  44          1HB       HIS  44  -2.069   8.641   6.390
  381    HD1  HIS  44          1HD       HIS  44   0.221   8.642   5.633
  382    HD2  HIS  44          2HD       HIS  44  -0.411  11.770   8.269
  383    HE1  HIS  44          1HE       HIS  44   2.426   9.853   5.774
  384    HE2  HIS  44          2HE       HIS  44   2.103  11.302   7.737
  385    QB   HIS  44           QB       HIS  44  -2.104   8.833   7.252
  386    H    ASN  45           H        ASN  45  -3.642   9.080   4.518
  387    HA   ASN  45           HA       ASN  45  -1.980  10.561   2.840
  388   1HB   ASN  45          2HB       ASN  45  -4.242   8.694   2.197
  389   2HB   ASN  45          1HB       ASN  45  -3.379   9.557   0.928
  390   1HD2  ASN  45          1HD2      ASN  45  -3.560   6.744   1.377
  391   2HD2  ASN  45          2HD2      ASN  45  -1.955   6.155   1.588
  392    QB   ASN  45           QB       ASN  45  -3.811   9.125   1.563
  393    QD   ASN  45           QD2      ASN  45  -2.757   6.449   1.482
  394    H    ALA  46           H        ALA  46  -5.439  10.766   3.378
  395    HA   ALA  46           HA       ALA  46  -5.982  12.760   1.478
  396   1HB   ALA  46          2HB       ALA  46  -8.015  13.158   2.775
  397   2HB   ALA  46          3HB       ALA  46  -7.345  12.211   4.104
  398   3HB   ALA  46          1HB       ALA  46  -7.724  11.427   2.568
  399    MB   ALA  46           QB       ALA  46  -7.695  12.265   3.149
  400    H    ARG  47           H        ARG  47  -4.982  12.857   4.815
  401    HA   ARG  47           HA       ARG  47  -5.222  15.638   5.162
  402   1HB   ARG  47          2HB       ARG  47  -4.974  13.674   6.909
  403   2HB   ARG  47          1HB       ARG  47  -3.254  13.976   6.622
  404   1HG   ARG  47          2HG       ARG  47  -5.121  16.154   7.540
  405   2HG   ARG  47          1HG       ARG  47  -4.274  15.103   8.662
  406   1HD   ARG  47          2HD       ARG  47  -2.144  15.887   7.877
  407   2HD   ARG  47          1HD       ARG  47  -2.910  16.778   6.560
  408    HE   ARG  47           HE       ARG  47  -4.020  17.732   8.872
  409   1HH1  ARG  47          1HH1      ARG  47  -0.708  17.535   7.576
  410   2HH1  ARG  47          2HH1      ARG  47  -0.248  19.036   8.216
  411   1HH2  ARG  47          1HH2      ARG  47  -3.327  19.829   9.739
  412   2HH2  ARG  47          2HH2      ARG  47  -1.740  20.352   9.456
  413    QB   ARG  47           QB       ARG  47  -4.114  13.825   6.766
  414    QG   ARG  47           QG       ARG  47  -4.697  15.629   8.101
  415    QD   ARG  47           QD       ARG  47  -2.527  16.333   7.219
  416    QH1  ARG  47           QH1      ARG  47  -0.478  18.286   7.896
  417    QH2  ARG  47           QH2      ARG  47  -2.534  20.091   9.598
  418    H    ALA  48           H        ALA  48  -2.411  13.517   4.498
  419    HA   ALA  48           HA       ALA  48  -0.754  15.810   4.294
  420   1HB   ALA  48          2HB       ALA  48   0.110  13.757   5.202
  421   2HB   ALA  48          3HB       ALA  48   1.045  14.323   3.812
  422   3HB   ALA  48          1HB       ALA  48  -0.069  12.960   3.627
  423    MB   ALA  48           QB       ALA  48   0.362  13.680   4.214
  424    H    GLN  49           H        GLN  49  -2.912  14.535   2.170
  425    HA   GLN  49           HA       GLN  49  -3.517  15.038   0.059
  426   1HB   GLN  49          2HB       GLN  49  -1.102  16.833   0.153
  427   2HB   GLN  49          1HB       GLN  49  -2.260  16.831  -1.209
  428   1HG   GLN  49          2HG       GLN  49  -3.665  18.069   0.006
  429   2HG   GLN  49          1HG       GLN  49  -3.355  16.946   1.364
  430   1HE2  GLN  49          1HE2      GLN  49  -2.077  17.504   2.968
  431   2HE2  GLN  49          2HE2      GLN  49  -1.137  18.927   3.099
  432    QB   GLN  49           QB       GLN  49  -1.681  16.832  -0.528
  433    QG   GLN  49           QG       GLN  49  -3.510  17.507   0.685
  434    QE   GLN  49           QE2      GLN  49  -1.607  18.215   3.034
  435    H    LEU  50           H        LEU  50  -1.986  12.951   0.805
  436    HA   LEU  50           HA       LEU  50  -0.363  12.080  -1.439
  437   1HB   LEU  50          2HB       LEU  50  -0.978  11.174   1.308
  438   2HB   LEU  50          1HB       LEU  50  -0.478   9.965   0.149
  439    HG   LEU  50           HG       LEU  50   1.583  10.998  -0.137
  440   1HD1  LEU  50          1HD1      LEU  50   0.659  13.201   1.694
  441   2HD1  LEU  50          3HD1      LEU  50   2.309  13.007   1.109
  442   3HD1  LEU  50          2HD1      LEU  50   1.005  13.340  -0.029
  443   1HD2  LEU  50          2HD2      LEU  50   1.415   9.527   1.774
  444   2HD2  LEU  50          1HD2      LEU  50   2.560  10.832   2.106
  445   3HD2  LEU  50          3HD2      LEU  50   0.938  10.882   2.791
  446    MD1  LEU  50           QD1      LEU  50   1.324  13.183   0.924
  447    MD2  LEU  50           QD2      LEU  50   1.637  10.414   2.224
  448    QB   LEU  50           QB       LEU  50  -0.728  10.569   0.728
  449    QD   LEU  50           QQD      LEU  50   1.481  11.798   1.574
  450    H    THR  51           H        THR  51  -1.031  10.573  -2.884
  451    HA   THR  51           HA       THR  51  -3.683   9.431  -2.570
  452    HB   THR  51           HB       THR  51  -3.921   9.726  -5.040
  453    HG1  THR  51          1HG       THR  51  -2.000  10.035  -5.974
  454   1HG2  THR  51          1HG2      THR  51  -4.688  11.306  -3.400
  455   2HG2  THR  51          3HG2      THR  51  -3.150  12.173  -3.503
  456   3HG2  THR  51          2HG2      THR  51  -4.225  12.129  -4.925
  457    MG   THR  51           QG2      THR  51  -4.021  11.869  -3.943
  458    H    GLY  52           H        GLY  52  -3.859   7.271  -3.908
  459   1HA   GLY  52          1HA       GLY  52  -2.139   5.603  -2.552
  460   2HA   GLY  52          2HA       GLY  52  -1.414   5.837  -4.140
  461    QA   GLY  52           QA       GLY  52  -1.776   5.720  -3.346
  462    H    ALA  53           H        ALA  53  -1.736   3.506  -3.874
  463    HA   ALA  53           HA       ALA  53  -4.302   2.402  -3.871
  464   1HB   ALA  53          3HB       ALA  53  -4.391   3.224  -6.213
  465   2HB   ALA  53          1HB       ALA  53  -4.416   1.461  -6.139
  466   3HB   ALA  53          2HB       ALA  53  -2.932   2.308  -6.573
  467    MB   ALA  53           QB       ALA  53  -3.913   2.331  -6.309
  468    H    LEU  54           H        LEU  54  -4.225   0.051  -3.919
  469    HA   LEU  54           HA       LEU  54  -1.584  -1.053  -4.114
  470   1HB   LEU  54          2HB       LEU  54  -1.502  -2.147  -2.012
  471   2HB   LEU  54          1HB       LEU  54  -1.848  -0.473  -1.702
  472    HG   LEU  54           HG       LEU  54  -4.297  -1.262  -1.388
  473   1HD1  LEU  54          2HD1      LEU  54  -2.821  -3.887  -1.069
  474   2HD1  LEU  54          1HD1      LEU  54  -4.485  -3.603  -0.568
  475   3HD1  LEU  54          3HD1      LEU  54  -4.050  -3.523  -2.274
  476   1HD2  LEU  54          2HD2      LEU  54  -2.857  -0.432   0.393
  477   2HD2  LEU  54          1HD2      LEU  54  -3.836  -1.793   0.957
  478   3HD2  LEU  54          3HD2      LEU  54  -2.133  -2.026   0.562
  479    MD1  LEU  54           QD1      LEU  54  -3.785  -3.671  -1.303
  480    MD2  LEU  54           QD2      LEU  54  -2.942  -1.417   0.637
  481    QB   LEU  54           QB       LEU  54  -1.675  -1.310  -1.857
  482    QD   LEU  54           QQD      LEU  54  -3.364  -2.544  -0.333
  483    H    PHE  55           H        PHE  55  -1.475  -3.123  -4.591
  484    HA   PHE  55           HA       PHE  55  -4.005  -4.423  -5.287
  485   1HB   PHE  55          2HB       PHE  55  -1.373  -4.542  -6.790
  486   2HB   PHE  55          1HB       PHE  55  -2.820  -5.457  -7.190
  487    HD1  PHE  55          1HD       PHE  55  -4.900  -4.160  -7.868
  488    HD2  PHE  55          2HD       PHE  55  -1.037  -2.390  -7.649
  489    HE1  PHE  55          1HE       PHE  55  -5.662  -2.335  -9.330
  490    HE2  PHE  55          2HE       PHE  55  -1.793  -0.556  -9.102
  491    HZ   PHE  55           HZ       PHE  55  -4.105  -0.526  -9.945
  492    QB   PHE  55           QB       PHE  55  -2.096  -5.000  -6.990
  493    QD   PHE  55           QD       PHE  55  -2.969  -3.275  -7.759
  494    QE   PHE  55           QE       PHE  55  -3.727  -1.445  -9.216
  495    QR   PHE  55           QR       PHE  55  -3.499  -1.993  -8.779
  496    H    TYR  56           H        TYR  56  -4.233  -6.000  -3.868
  497    HA   TYR  56           HA       TYR  56  -1.876  -7.456  -2.930
  498   1HB   TYR  56          2HB       TYR  56  -3.532  -6.556  -1.262
  499   2HB   TYR  56          1HB       TYR  56  -4.792  -7.549  -1.927
  500    HD1  TYR  56          1HD       TYR  56  -3.086 -10.156  -2.192
  501    HD2  TYR  56          2HD       TYR  56  -3.507  -7.300   0.939
  502    HE1  TYR  56          1HE       TYR  56  -2.510 -11.883  -0.549
  503    HE2  TYR  56          2HE       TYR  56  -2.917  -9.028   2.586
  504    HH   TYR  56           HH       TYR  56  -2.973 -11.470   2.777
  505    QB   TYR  56           QB       TYR  56  -4.162  -7.053  -1.594
  506    QD   TYR  56           QD       TYR  56  -3.296  -8.728  -0.627
  507    QE   TYR  56           QE       TYR  56  -2.713 -10.455   1.019
  508    QR   TYR  56           QR       TYR  56  -3.005  -9.592   0.196
  509    H    SER  57           H        SER  57  -1.409  -9.021  -4.402
  510    HA   SER  57           HA       SER  57  -3.652 -10.457  -5.624
  511   1HB   SER  57          2HB       SER  57  -0.899  -9.938  -6.764
  512   2HB   SER  57          1HB       SER  57  -2.227 -10.756  -7.582
  513    HG   SER  57           HG       SER  57  -3.234  -8.913  -7.875
  514    QB   SER  57           QB       SER  57  -1.563 -10.347  -7.173
  515    H    GLN  58           H        GLN  58  -3.753 -12.116  -4.114
  516    HA   GLN  58           HA       GLN  58  -3.392 -14.173  -3.304
  517   1HB   GLN  58          2HB       GLN  58  -2.741 -14.770  -5.598
  518   2HB   GLN  58          1HB       GLN  58  -1.089 -14.282  -5.268
  519   1HG   GLN  58          2HG       GLN  58  -0.953 -16.068  -3.562
  520   2HG   GLN  58          1HG       GLN  58  -2.575 -16.579  -4.022
  521   1HE2  GLN  58          1HE2      GLN  58  -0.102 -18.026  -4.154
  522   2HE2  GLN  58          2HE2      GLN  58   0.122 -18.506  -5.799
  523    QB   GLN  58           QB       GLN  58  -1.915 -14.526  -5.433
  524    QG   GLN  58           QG       GLN  58  -1.764 -16.324  -3.792
  525    QE   GLN  58           QE2      GLN  58   0.010 -18.266  -4.977
  526    H    GLY  59           H        GLY  59  -0.064 -13.205  -3.881
  527   1HA   GLY  59          1HA       GLY  59   1.476 -14.001  -2.017
  528   2HA   GLY  59          2HA       GLY  59   0.355 -13.139  -0.970
  529    QA   GLY  59           QA       GLY  59   0.915 -13.570  -1.494
  530    H    VAL  60           H        VAL  60   1.361 -12.041  -4.194
  531    HA   VAL  60           HA       VAL  60   3.221 -10.234  -3.075
  532    HB   VAL  60           HB       VAL  60   3.487  -9.254  -5.322
  533   1HG1  VAL  60          3HG1      VAL  60   3.567 -12.252  -5.290
  534   2HG1  VAL  60          2HG1      VAL  60   4.372 -11.226  -6.468
  535   3HG1  VAL  60          1HG1      VAL  60   4.832 -11.140  -4.766
  536   1HG2  VAL  60          2HG2      VAL  60   1.333 -11.202  -6.187
  537   2HG2  VAL  60          1HG2      VAL  60   1.206  -9.446  -6.176
  538   3HG2  VAL  60          3HG2      VAL  60   2.330 -10.238  -7.279
  539    MG1  VAL  60           QG1      VAL  60   4.257 -11.539  -5.508
  540    MG2  VAL  60           QG2      VAL  60   1.623 -10.295  -6.547
  541    QG   VAL  60           QQG      VAL  60   2.940 -10.917  -6.028
  542    H    PHE  61           H        PHE  61   2.748  -8.663  -1.950
  543    HA   PHE  61           HA       PHE  61   0.229  -7.209  -2.171
  544   1HB   PHE  61          2HB       PHE  61   1.347  -8.351  -0.223
  545   2HB   PHE  61          1HB       PHE  61   2.547  -7.109  -0.294
  546    HD1  PHE  61          1HD       PHE  61   2.167  -6.839   1.982
  547    HD2  PHE  61          2HD       PHE  61  -0.958  -6.074  -0.790
  548    HE1  PHE  61          1HE       PHE  61   0.979  -5.792   3.727
  549    HE2  PHE  61          2HE       PHE  61  -2.251  -4.924   1.024
  550    HZ   PHE  61           HZ       PHE  61  -1.242  -4.788   3.289
  551    QB   PHE  61           QB       PHE  61   1.947  -7.730  -0.258
  552    QD   PHE  61           QD       PHE  61   0.605  -6.456   0.596
  553    QE   PHE  61           QE       PHE  61  -0.636  -5.358   2.375
  554    QR   PHE  61           QR       PHE  61  -0.261  -5.683   1.846
  555    H    PHE  62           H        PHE  62   0.497  -5.537  -3.722
  556    HA   PHE  62           HA       PHE  62   3.078  -4.125  -3.736
  557   1HB   PHE  62          2HB       PHE  62   2.559  -5.245  -5.866
  558   2HB   PHE  62          1HB       PHE  62   1.017  -4.406  -5.949
  559    HD1  PHE  62          1HD       PHE  62   0.916  -2.049  -6.606
  560    HD2  PHE  62          2HD       PHE  62   4.636  -4.107  -6.355
  561    HE1  PHE  62          1HE       PHE  62   1.998  -0.241  -7.867
  562    HE2  PHE  62          2HE       PHE  62   5.722  -2.289  -7.610
  563    HZ   PHE  62           HZ       PHE  62   4.406  -0.359  -8.367
  564    QB   PHE  62           QB       PHE  62   1.788  -4.826  -5.908
  565    QD   PHE  62           QD       PHE  62   2.776  -3.078  -6.480
  566    QE   PHE  62           QE       PHE  62   3.860  -1.265  -7.738
  567    QR   PHE  62           QR       PHE  62   3.535  -1.809  -7.361
  568    H    GLN  63           H        GLN  63   2.994  -2.084  -2.935
  569    HA   GLN  63           HA       GLN  63   0.557  -0.567  -3.335
  570   1HB   GLN  63          2HB       GLN  63   0.449  -1.576  -1.024
  571   2HB   GLN  63          1HB       GLN  63   1.935  -0.728  -0.638
  572   1HG   GLN  63          2HG       GLN  63  -0.358   0.870  -1.638
  573   2HG   GLN  63          1HG       GLN  63  -0.468   0.252  -0.001
  574   1HE2  GLN  63          1HE2      GLN  63  -0.362   2.964  -1.015
  575   2HE2  GLN  63          2HE2      GLN  63   1.013   3.702  -0.285
  576    QB   GLN  63           QB       GLN  63   1.192  -1.152  -0.831
  577    QG   GLN  63           QG       GLN  63  -0.413   0.561  -0.820
  578    QE   GLN  63           QE2      GLN  63   0.325   3.333  -0.650
  579    H    TRP  64           H        TRP  64   0.926   1.524  -3.801
  580    HA   TRP  64           HA       TRP  64   3.509   2.549  -3.139
  581   1HB   TRP  64          2HB       TRP  64   4.028   3.350  -5.284
  582   2HB   TRP  64          1HB       TRP  64   3.527   1.664  -5.556
  583    HD1  TRP  64           HD       TRP  64   3.474   4.919  -6.952
  584    HE1  TRP  64          1HE       TRP  64   1.617   5.261  -8.630
  585    HE3  TRP  64          3HE       TRP  64   0.551   0.919  -5.715
  586    HZ2  TRP  64          2HZ       TRP  64  -0.804   4.022  -9.358
  587    HZ3  TRP  64          3HZ       TRP  64  -1.559   0.614  -6.939
  588    HH2  TRP  64           HH       TRP  64  -2.195   2.112  -8.740
  589    QB   TRP  64           QB       TRP  64   3.777   2.507  -5.420
  590    H    LEU  65           H        LEU  65   3.401   5.028  -3.490
  591    HA   LEU  65           HA       LEU  65   0.696   6.057  -3.543
  592   1HB   LEU  65          2HB       LEU  65   0.874   7.293  -1.492
  593   2HB   LEU  65          1HB       LEU  65   1.051   5.586  -1.170
  594    HG   LEU  65           HG       LEU  65   3.427   7.335  -1.476
  595   1HD1  LEU  65          2HD1      LEU  65   1.805   6.805   1.018
  596   2HD1  LEU  65          1HD1      LEU  65   3.379   7.615   0.978
  597   3HD1  LEU  65          3HD1      LEU  65   1.984   8.356   0.196
  598   1HD2  LEU  65          3HD2      LEU  65   3.824   4.928  -1.451
  599   2HD2  LEU  65          2HD2      LEU  65   4.473   5.669   0.013
  600   3HD2  LEU  65          1HD2      LEU  65   2.951   4.781   0.074
  601    MD1  LEU  65           QD1      LEU  65   2.389   7.592   0.731
  602    MD2  LEU  65           QD2      LEU  65   3.749   5.126  -0.455
  603    QB   LEU  65           QB       LEU  65   0.963   6.440  -1.331
  604    QD   LEU  65           QQD      LEU  65   3.069   6.359   0.138
  605    H    GLU  66           H        GLU  66   0.536   8.205  -3.912
  606    HA   GLU  66           HA       GLU  66   2.870   9.506  -5.147
  607   1HB   GLU  66          2HB       GLU  66  -0.044  10.283  -5.276
  608   2HB   GLU  66          1HB       GLU  66   1.277  10.798  -6.298
  609   1HG   GLU  66          2HG       GLU  66   1.275   8.696  -7.459
  610   2HG   GLU  66          1HG       GLU  66   0.073   8.042  -6.337
  611    QB   GLU  66           QB       GLU  66   0.616  10.540  -5.787
  612    QG   GLU  66           QG       GLU  66   0.674   8.369  -6.898
  613    H    GLY  67           H        GLY  67   3.672  11.169  -3.804
  614   1HA   GLY  67          1HA       GLY  67   2.683  11.862  -1.367
  615   2HA   GLY  67          2HA       GLY  67   1.808  12.897  -2.496
  616    QA   GLY  67           QA       GLY  67   2.245  12.379  -1.931
  617    H    HIS  68           H        HIS  68   3.128  14.473  -0.994
  618    HA   HIS  68           HA       HIS  68   5.454  15.361  -2.407
  619   1HB   HIS  68          2HB       HIS  68   4.196  17.092  -1.231
  620   2HB   HIS  68          1HB       HIS  68   4.305  16.232   0.278
  621    HD1  HIS  68          1HD       HIS  68   6.283  16.606   1.745
  622    HD2  HIS  68          2HD       HIS  68   6.379  18.307  -1.938
  623    HE1  HIS  68          1HE       HIS  68   8.444  17.817   1.781
  624    HE2  HIS  68          2HE       HIS  68   8.308  19.252  -0.308
  625    QB   HIS  68           QB       HIS  68   4.250  16.662  -0.477
  626    HA   PRO  69           HA       PRO  69   8.558  12.402  -1.371
  627   1HB   PRO  69          2HB       PRO  69  10.319  14.486  -0.385
  628   2HB   PRO  69          1HB       PRO  69  10.485  13.468  -1.816
  629   1HG   PRO  69          2HG       PRO  69   9.408  16.180  -1.581
  630   2HG   PRO  69          1HG       PRO  69   9.910  15.299  -3.033
  631   1HD   PRO  69          2HD       PRO  69   7.351  15.896  -2.532
  632   2HD   PRO  69          1HD       PRO  69   7.799  14.382  -3.345
  633    QB   PRO  69           QB       PRO  69  10.402  13.977  -1.101
  634    QG   PRO  69           QG       PRO  69   9.659  15.740  -2.307
  635    QD   PRO  69           QD       PRO  69   7.575  15.139  -2.938
  636    H    ALA  70           H        ALA  70   8.552  14.915   1.148
  637    HA   ALA  70           HA       ALA  70   9.533  13.006   3.009
  638   1HB   ALA  70          3HB       ALA  70  10.179  15.289   3.263
  639   2HB   ALA  70          1HB       ALA  70   9.317  14.688   4.686
  640   3HB   ALA  70          2HB       ALA  70   8.474  15.740   3.500
  641    MB   ALA  70           QB       ALA  70   9.323  15.239   3.817
  642    H    ALA  71           H        ALA  71   6.403  13.998   2.219
  643    HA   ALA  71           HA       ALA  71   5.171  13.027   4.575
  644   1HB   ALA  71          1HB       ALA  71   4.219  13.194   1.805
  645   2HB   ALA  71          3HB       ALA  71   3.133  13.101   3.199
  646   3HB   ALA  71          2HB       ALA  71   4.153  14.555   2.952
  647    MB   ALA  71           QB       ALA  71   3.835  13.617   2.652
  648    H    VAL  72           H        VAL  72   6.063  11.856   1.468
  649    HA   VAL  72           HA       VAL  72   4.886   9.293   1.510
  650    HB   VAL  72           HB       VAL  72   7.499   9.752   0.110
  651   1HG1  VAL  72          3HG1      VAL  72   6.320   7.655  -0.107
  652   2HG1  VAL  72          2HG1      VAL  72   4.932   8.605  -0.697
  653   3HG1  VAL  72          1HG1      VAL  72   6.444   8.566  -1.651
  654   1HG2  VAL  72          3HG2      VAL  72   4.921  10.973  -0.770
  655   2HG2  VAL  72          2HG2      VAL  72   6.423  11.799  -0.260
  656   3HG2  VAL  72          1HG2      VAL  72   6.400  10.831  -1.742
  657    MG1  VAL  72           QG1      VAL  72   5.898   8.275  -0.818
  658    MG2  VAL  72           QG2      VAL  72   5.914  11.201  -0.924
  659    QG   VAL  72           QQG      VAL  72   5.906   9.738  -0.871
  660    H    ALA  73           H        ALA  73   8.071  10.560   2.285
  661    HA   ALA  73           HA       ALA  73   9.180   8.132   3.116
  662   1HB   ALA  73          2HB       ALA  73   9.927  10.903   3.865
  663   2HB   ALA  73          1HB       ALA  73  10.872   9.379   4.113
  664   3HB   ALA  73          3HB       ALA  73  10.530   9.953   2.471
  665    MB   ALA  73           QB       ALA  73  10.443  10.079   3.483
  666    H    GLU  74           H        GLU  74   7.421  10.554   4.768
  667    HA   GLU  74           HA       GLU  74   7.852   9.665   7.454
  668   1HB   GLU  74          2HB       GLU  74   6.944  11.938   6.552
  669   2HB   GLU  74          1HB       GLU  74   5.411  11.126   6.377
  670   1HG   GLU  74          2HG       GLU  74   6.862  11.455   9.001
  671   2HG   GLU  74          1HG       GLU  74   5.677  12.592   8.384
  672    QB   GLU  74           QB       GLU  74   6.178  11.532   6.464
  673    QG   GLU  74           QG       GLU  74   6.269  12.023   8.692
  674    H    VAL  75           H        VAL  75   5.535   8.732   4.923
  675    HA   VAL  75           HA       VAL  75   4.564   6.886   6.821
  676    HB   VAL  75           HB       VAL  75   3.138   7.866   4.936
  677   1HG1  VAL  75          2HG1      VAL  75   4.492   5.722   3.346
  678   2HG1  VAL  75          1HG1      VAL  75   3.026   6.586   2.870
  679   3HG1  VAL  75          3HG1      VAL  75   4.547   7.459   3.051
  680   1HG2  VAL  75          2HG2      VAL  75   3.202   4.962   5.525
  681   2HG2  VAL  75          1HG2      VAL  75   2.327   6.234   6.384
  682   3HG2  VAL  75          3HG2      VAL  75   1.845   5.786   4.735
  683    MG1  VAL  75           QG1      VAL  75   4.021   6.589   3.089
  684    MG2  VAL  75           QG2      VAL  75   2.458   5.661   5.548
  685    QG   VAL  75           QQG      VAL  75   3.240   6.125   4.319
  686    H    MET  76           H        MET  76   6.979   6.769   4.069
  687    HA   MET  76           HA       MET  76   7.505   4.115   4.054
  688   1HB   MET  76          2HB       MET  76   9.500   6.380   3.989
  689   2HB   MET  76          1HB       MET  76   9.858   4.761   3.483
  690   1HG   MET  76          2HG       MET  76   7.649   6.222   2.298
  691   2HG   MET  76          1HG       MET  76   9.273   6.584   1.685
  692   1HE   MET  76          1HE       MET  76   6.233   4.428   1.943
  693   2HE   MET  76          3HE       MET  76   6.563   2.982   0.966
  694   3HE   MET  76          2HE       MET  76   7.314   3.126   2.549
  695    QB   MET  76           QB       MET  76   9.679   5.570   3.736
  696    QG   MET  76           QG       MET  76   8.461   6.403   1.992
  697    ME   MET  76           QE       MET  76   6.703   3.512   1.820
  698    H    SER  77           H        SER  77   8.907   6.490   6.256
  699    HA   SER  77           HA       SER  77  10.450   4.744   7.786
  700   1HB   SER  77          2HB       SER  77  10.223   6.552   9.579
  701   2HB   SER  77          1HB       SER  77  10.676   7.172   7.988
  702    HG   SER  77           HG       SER  77   8.852   8.037   7.715
  703    QB   SER  77           QB       SER  77  10.450   6.862   8.783
  704    H    HIS  78           H        HIS  78   7.087   5.595   8.262
  705    HA   HIS  78           HA       HIS  78   6.710   3.827  10.508
  706   1HB   HIS  78          2HB       HIS  78   4.659   4.782   8.492
  707   2HB   HIS  78          1HB       HIS  78   4.268   3.811   9.898
  708    HD1  HIS  78          1HD       HIS  78   2.809   5.569  10.990
  709    HD2  HIS  78          2HD       HIS  78   6.647   6.888  10.212
  710    HE1  HIS  78          1HE       HIS  78   2.918   7.855  11.934
  711    HE2  HIS  78          2HE       HIS  78   5.032   8.713  10.926
  712    QB   HIS  78           QB       HIS  78   4.464   4.297   9.195
  713    H    ILE  79           H        ILE  79   6.003   3.403   7.113
  714    HA   ILE  79           HA       ILE  79   4.949   0.845   7.157
  715    HB   ILE  79           HB       ILE  79   5.948   2.735   5.154
  716   1HG1  ILE  79          2HG1      ILE  79   3.369   1.197   5.418
  717   2HG1  ILE  79          1HG1      ILE  79   3.664   2.850   5.939
  718   1HG2  ILE  79          2HG2      ILE  79   5.787  -0.148   4.495
  719   2HG2  ILE  79          1HG2      ILE  79   5.431   1.116   3.278
  720   3HG2  ILE  79          3HG2      ILE  79   6.988   1.050   4.090
  721   1HD1  ILE  79          1HD1      ILE  79   4.035   3.483   3.585
  722   2HD1  ILE  79          3HD1      ILE  79   3.632   1.832   3.106
  723   3HD1  ILE  79          2HD1      ILE  79   2.426   2.846   3.901
  724    MG   ILE  79           QG2      ILE  79   6.069   0.673   3.954
  725    MD   ILE  79           QD1      ILE  79   3.364   2.720   3.531
  726    QG   ILE  79           QG1      ILE  79   3.517   2.023   5.678
  727    H    GLN  80           H        GLN  80   8.283   1.796   6.310
  728    HA   GLN  80           HA       GLN  80   9.312  -0.639   5.712
  729   1HB   GLN  80          2HB       GLN  80  10.567   1.886   6.704
  730   2HB   GLN  80          1HB       GLN  80  11.497   0.495   6.130
  731   1HG   GLN  80          2HG       GLN  80   9.452   2.020   4.443
  732   2HG   GLN  80          1HG       GLN  80  11.164   2.066   4.274
  733   1HE2  GLN  80          1HE2      GLN  80   8.490   0.070   3.937
  734   2HE2  GLN  80          2HE2      GLN  80   9.439  -1.084   3.037
  735    QB   GLN  80           QB       GLN  80  11.032   1.190   6.417
  736    QG   GLN  80           QG       GLN  80  10.308   2.043   4.358
  737    QE   GLN  80           QE2      GLN  80   8.965  -0.507   3.487
  738    H    ARG  81           H        ARG  81   8.740   0.619   8.834
  739    HA   ARG  81           HA       ARG  81  10.365  -1.158  10.311
  740   1HB   ARG  81          2HB       ARG  81   7.653   0.007  10.960
  741   2HB   ARG  81          1HB       ARG  81   8.685  -0.818  12.124
  742   1HG   ARG  81          2HG       ARG  81  10.275   0.835  12.110
  743   2HG   ARG  81          1HG       ARG  81   9.699   1.531  10.600
  744   1HD   ARG  81          2HD       ARG  81   9.103   2.936  12.498
  745   2HD   ARG  81          1HD       ARG  81   7.682   2.292  11.695
  746    HE   ARG  81           HE       ARG  81   8.376   0.603  13.812
  747   1HH1  ARG  81          1HH1      ARG  81   7.294   3.935  13.359
  748   2HH1  ARG  81          2HH1      ARG  81   6.275   3.920  14.735
  749   1HH2  ARG  81          1HH2      ARG  81   6.985   0.662  15.776
  750   2HH2  ARG  81          2HH2      ARG  81   6.130   2.118  16.080
  751    QB   ARG  81           QB       ARG  81   8.169  -0.405  11.542
  752    QG   ARG  81           QG       ARG  81   9.987   1.183  11.355
  753    QD   ARG  81           QD       ARG  81   8.393   2.614  12.096
  754    QH1  ARG  81           QH1      ARG  81   6.785   3.927  14.047
  755    QH2  ARG  81           QH2      ARG  81   6.558   1.390  15.928
  756    H    ASP  82           H        ASP  82   7.274  -1.499   8.820
  757    HA   ASP  82           HA       ASP  82   5.845  -3.101   8.292
  758   1HB   ASP  82          2HB       ASP  82   7.795  -3.923   7.248
  759   2HB   ASP  82          1HB       ASP  82   8.067  -5.131   8.535
  760    QB   ASP  82           QB       ASP  82   7.931  -4.527   7.892
  761    H    ARG  83           H        ARG  83   4.756  -5.024   8.876
  762    HA   ARG  83           HA       ARG  83   4.282  -5.797  11.478
  763   1HB   ARG  83          2HB       ARG  83   2.631  -3.924  12.145
  764   2HB   ARG  83          1HB       ARG  83   4.351  -3.556  12.280
  765   1HG   ARG  83          2HG       ARG  83   4.180  -2.593   9.952
  766   2HG   ARG  83          1HG       ARG  83   2.426  -2.609  10.144
  767   1HD   ARG  83          2HD       ARG  83   4.456  -1.118  11.828
  768   2HD   ARG  83          1HD       ARG  83   3.268  -0.436  10.737
  769    HE   ARG  83           HE       ARG  83   1.609  -1.505  12.389
  770   1HH1  ARG  83          1HH1      ARG  83   4.771  -0.369  13.450
  771   2HH1  ARG  83          2HH1      ARG  83   4.170   0.429  14.834
  772   1HH2  ARG  83          1HH2      ARG  83   0.796  -0.384  14.296
  773   2HH2  ARG  83          2HH2      ARG  83   1.901   0.485  15.278
  774    QB   ARG  83           QB       ARG  83   3.491  -3.740  12.213
  775    QG   ARG  83           QG       ARG  83   3.303  -2.601  10.048
  776    QD   ARG  83           QD       ARG  83   3.862  -0.777  11.283
  777    QH1  ARG  83           QH1      ARG  83   4.470   0.030  14.142
  778    QH2  ARG  83           QH2      ARG  83   1.349   0.051  14.787
  779    H    ARG  84           H        ARG  84   3.014  -4.385   8.535
  780    HA   ARG  84           HA       ARG  84   0.768  -6.275   8.575
  781   1HB   ARG  84          2HB       ARG  84   0.713  -3.411   7.711
  782   2HB   ARG  84          1HB       ARG  84  -0.615  -4.552   7.530
  783   1HG   ARG  84          2HG       ARG  84  -0.701  -4.800   9.945
  784   2HG   ARG  84          1HG       ARG  84   0.620  -3.655  10.100
  785   1HD   ARG  84          2HD       ARG  84  -0.713  -1.947   9.025
  786   2HD   ARG  84          1HD       ARG  84  -2.044  -3.096   8.857
  787    HE   ARG  84           HE       ARG  84  -1.397  -3.171  11.462
  788   1HH1  ARG  84          1HH1      ARG  84  -2.465  -0.644   9.213
  789   2HH1  ARG  84          2HH1      ARG  84  -3.299   0.234  10.447
  790   1HH2  ARG  84          1HH2      ARG  84  -2.478  -1.843  13.107
  791   2HH2  ARG  84          2HH2      ARG  84  -3.234  -0.389  12.610
  792    QB   ARG  84           QB       ARG  84   0.049  -3.981   7.620
  793    QG   ARG  84           QG       ARG  84  -0.040  -4.227  10.022
  794    QD   ARG  84           QD       ARG  84  -1.379  -2.522   8.941
  795    QH1  ARG  84           QH1      ARG  84  -2.882  -0.205   9.830
  796    QH2  ARG  84           QH2      ARG  84  -2.856  -1.116  12.858
  797    H    HIS  85           H        HIS  85   3.463  -6.322   7.132
  798    HA   HIS  85           HA       HIS  85   2.364  -6.955   4.566
  799   1HB   HIS  85          2HB       HIS  85   5.049  -5.848   4.250
  800   2HB   HIS  85          1HB       HIS  85   3.624  -5.496   3.307
  801    HD1  HIS  85          1HD       HIS  85   3.419  -2.989   3.159
  802    HD2  HIS  85          2HD       HIS  85   4.955  -4.193   6.836
  803    HE1  HIS  85          1HE       HIS  85   4.108  -0.948   4.361
  804    HE2  HIS  85          2HE       HIS  85   5.196  -1.784   6.421
  805    QB   HIS  85           QB       HIS  85   4.337  -5.672   3.779
  806    H    SER  86           H        SER  86   4.924  -7.729   3.619
  807    HA   SER  86           HA       SER  86   5.634  -9.426   5.886
  808   1HB   SER  86          2HB       SER  86   4.562 -10.367   3.771
  809   2HB   SER  86          1HB       SER  86   6.167 -10.313   3.126
  810    HG   SER  86           HG       SER  86   6.905 -11.460   5.065
  811    QB   SER  86           QB       SER  86   5.364 -10.340   3.448
  812    H    ASN  87           H        ASN  87   6.861  -7.000   4.171
  813    HA   ASN  87           HA       ASN  87   9.609  -7.632   4.631
  814   1HB   ASN  87          2HB       ASN  87   8.980  -7.240   1.713
  815   2HB   ASN  87          1HB       ASN  87  10.533  -7.593   2.417
  816   1HD2  ASN  87          1HD2      ASN  87   9.543  -9.977   3.855
  817   2HD2  ASN  87          2HD2      ASN  87   9.228 -11.135   2.623
  818    QB   ASN  87           QB       ASN  87   9.757  -7.416   2.065
  819    QD   ASN  87           QD2      ASN  87   9.385 -10.556   3.239
  820    H    VAL  88           H        VAL  88   7.586  -6.017   2.698
  821    HA   VAL  88           HA       VAL  88   7.693  -4.310   1.416
  822    HB   VAL  88           HB       VAL  88   6.340  -3.746   3.141
  823   1HG1  VAL  88          3HG1      VAL  88   7.762  -3.784   4.930
  824   2HG1  VAL  88          2HG1      VAL  88   8.500  -2.180   4.394
  825   3HG1  VAL  88          1HG1      VAL  88   6.765  -2.276   4.828
  826   1HG2  VAL  88          1HG2      VAL  88   6.535  -2.158   1.358
  827   2HG2  VAL  88          3HG2      VAL  88   6.207  -1.333   2.870
  828   3HG2  VAL  88          2HG2      VAL  88   7.824  -1.303   2.224
  829    MG1  VAL  88           QG1      VAL  88   7.676  -2.747   4.718
  830    MG2  VAL  88           QG2      VAL  88   6.855  -1.598   2.150
  831    QG   VAL  88           QQG      VAL  88   7.265  -2.173   3.434
  832    H    GLU  89           H        GLU  89   9.281  -4.492   0.204
  833    HA   GLU  89           HA       GLU  89  11.388  -2.555   0.810
  834   1HB   GLU  89          2HB       GLU  89  11.599  -5.147  -0.182
  835   2HB   GLU  89          1HB       GLU  89  12.043  -4.096  -1.522
  836   1HG   GLU  89          2HG       GLU  89  13.284  -4.160   1.241
  837   2HG   GLU  89          1HG       GLU  89  13.982  -4.684  -0.286
  838    QB   GLU  89           QB       GLU  89  11.821  -4.621  -0.852
  839    QG   GLU  89           QG       GLU  89  13.633  -4.422   0.477
  840    H    ILE  90           H        ILE  90  11.079  -0.831   0.057
  841    HA   ILE  90           HA       ILE  90   9.326   0.147  -1.888
  842    HB   ILE  90           HB       ILE  90  11.928   1.573  -1.455
  843   1HG1  ILE  90          2HG1      ILE  90  11.377   0.797   0.759
  844   2HG1  ILE  90          1HG1      ILE  90  11.045   2.518   0.650
  845   1HG2  ILE  90          1HG2      ILE  90   9.044   2.516  -1.515
  846   2HG2  ILE  90          3HG2      ILE  90  10.413   3.563  -1.312
  847   3HG2  ILE  90          2HG2      ILE  90  10.188   2.736  -2.860
  848   1HD1  ILE  90          3HD1      ILE  90   8.699   2.060   0.322
  849   2HD1  ILE  90          2HD1      ILE  90   9.028   0.330   0.424
  850   3HD1  ILE  90          1HD1      ILE  90   9.285   1.364   1.841
  851    MG   ILE  90           QG2      ILE  90   9.881   2.938  -1.896
  852    MD   ILE  90           QD1      ILE  90   9.004   1.251   0.862
  853    QG   ILE  90           QG1      ILE  90  11.211   1.658   0.705
  854    H    LEU  91           H        LEU  91  12.631   0.260  -2.446
  855    HA   LEU  91           HA       LEU  91  14.010  -0.325  -4.173
  856   1HB   LEU  91          2HB       LEU  91  11.597  -1.660  -5.404
  857   2HB   LEU  91          1HB       LEU  91  13.228  -1.769  -6.034
  858    HG   LEU  91           HG       LEU  91  12.359  -2.820  -3.341
  859   1HD1  LEU  91          3HD1      LEU  91  11.273  -4.029  -5.163
  860   2HD1  LEU  91          2HD1      LEU  91  12.836  -4.273  -5.942
  861   3HD1  LEU  91          1HD1      LEU  91  12.500  -5.026  -4.382
  862   1HD2  LEU  91          1HD2      LEU  91  14.737  -2.234  -3.477
  863   2HD2  LEU  91          3HD2      LEU  91  14.500  -3.976  -3.388
  864   3HD2  LEU  91          2HD2      LEU  91  14.893  -3.225  -4.932
  865    MD1  LEU  91           QD1      LEU  91  12.203  -4.442  -5.162
  866    MD2  LEU  91           QD2      LEU  91  14.710  -3.145  -3.932
  867    QB   LEU  91           QB       LEU  91  12.412  -1.715  -5.719
  868    QD   LEU  91           QQD      LEU  91  13.456  -3.794  -4.547
  869    H    ALA  92           H        ALA  92  10.946   1.140  -4.892
  870    HA   ALA  92           HA       ALA  92  12.324   2.649  -7.010
  871   1HB   ALA  92          3HB       ALA  92  10.865   1.020  -8.027
  872   2HB   ALA  92          1HB       ALA  92  10.254   2.657  -8.297
  873   3HB   ALA  92          2HB       ALA  92   9.521   1.626  -7.060
  874    MB   ALA  92           QB       ALA  92  10.213   1.768  -7.795
  875    H    GLU  93           H        GLU  93  12.393   4.725  -6.527
  876    HA   GLU  93           HA       GLU  93   9.999   5.979  -5.441
  877   1HB   GLU  93          2HB       GLU  93  12.812   6.635  -4.423
  878   2HB   GLU  93          1HB       GLU  93  11.289   7.371  -3.951
  879   1HG   GLU  93          2HG       GLU  93  10.508   5.507  -2.938
  880   2HG   GLU  93          1HG       GLU  93  11.866   4.517  -3.487
  881    QB   GLU  93           QB       GLU  93  12.051   7.003  -4.187
  882    QG   GLU  93           QG       GLU  93  11.187   5.012  -3.212
  883    H    GLU  94           H        GLU  94   9.413   7.274  -6.982
  884    HA   GLU  94           HA       GLU  94  11.483   8.688  -8.507
  885   1HB   GLU  94          2HB       GLU  94   9.889   8.537 -10.475
  886   2HB   GLU  94          1HB       GLU  94  10.679   7.038 -10.005
  887   1HG   GLU  94          2HG       GLU  94   8.653   6.324  -8.862
  888   2HG   GLU  94          1HG       GLU  94   7.869   7.844  -9.272
  889    QB   GLU  94           QB       GLU  94  10.284   7.787 -10.240
  890    QG   GLU  94           QG       GLU  94   8.261   7.084  -9.067
  891    H    SER  95           H        SER  95  11.075  10.802  -9.100
  892    HA   SER  95           HA       SER  95   9.155  12.151  -7.462
  893   1HB   SER  95          2HB       SER  95  11.100  13.217  -9.512
  894   2HB   SER  95          1HB       SER  95  10.178  14.165  -8.332
  895    HG   SER  95           HG       SER  95  11.673  12.057  -7.327
  896    QB   SER  95           QB       SER  95  10.639  13.691  -8.922
  897    H    ILE  96           H        ILE  96   7.242  12.613  -8.021
  898    HA   ILE  96           HA       ILE  96   6.485  12.380 -10.875
  899    HB   ILE  96           HB       ILE  96   4.314  11.805 -10.168
  900   1HG1  ILE  96          2HG1      ILE  96   5.503  11.066  -7.517
  901   2HG1  ILE  96          1HG1      ILE  96   4.716  12.614  -7.770
  902   1HG2  ILE  96          2HG2      ILE  96   5.852  10.153 -11.030
  903   2HG2  ILE  96          1HG2      ILE  96   6.540   9.914  -9.423
  904   3HG2  ILE  96          3HG2      ILE  96   4.881   9.420  -9.748
  905   1HD1  ILE  96          1HD1      ILE  96   3.360   9.993  -8.254
  906   2HD1  ILE  96          3HD1      ILE  96   3.389  10.857  -6.710
  907   3HD1  ILE  96          2HD1      ILE  96   2.681  11.648  -8.093
  908    MG   ILE  96           QG2      ILE  96   5.758   9.829 -10.067
  909    MD   ILE  96           QD1      ILE  96   3.143  10.832  -7.686
  910    QG   ILE  96           QG1      ILE  96   5.109  11.840  -7.644
  911    H    ALA  97           H        ALA  97   4.320  13.223 -11.370
  912    HA   ALA  97           HA       ALA  97   4.076  15.907 -10.284
  913   1HB   ALA  97          1HB       ALA  97   4.373  15.754 -12.725
  914   2HB   ALA  97          2HB       ALA  97   2.789  16.439 -12.241
  915   3HB   ALA  97          3HB       ALA  97   2.904  14.755 -12.760
  916    MB   ALA  97           QB       ALA  97   3.356  15.649 -12.575
  917    H    LYS  98           H        LYS  98   3.023  13.123  -9.945
  918    HA   LYS  98           HA       LYS  98   1.207  11.993  -9.126
  919   1HB   LYS  98          2HB       LYS  98   2.104  13.678  -7.565
  920   2HB   LYS  98          1HB       LYS  98   0.732  14.655  -8.015
  921   1HG   LYS  98          2HG       LYS  98   0.007  12.005  -7.246
  922   2HG   LYS  98          1HG       LYS  98   1.028  12.859  -6.102
  923   1HD   LYS  98          2HD       LYS  98  -0.961  14.580  -7.056
  924   2HD   LYS  98          1HD       LYS  98  -1.687  13.137  -6.273
  925   1HE   LYS  98          2HE       LYS  98  -0.166  13.409  -4.542
  926   2HE   LYS  98          1HE       LYS  98   0.466  14.876  -5.318
  927   1HZ   LYS  98          2HZ       LYS  98  -2.420  14.677  -4.589
  928   2HZ   LYS  98          1HZ       LYS  98  -1.309  15.291  -3.483
  929   3HZ   LYS  98          3HZ       LYS  98  -1.542  16.040  -4.974
  930    QB   LYS  98           QB       LYS  98   1.418  14.167  -7.790
  931    QD   LYS  98           QD       LYS  98  -1.324  13.859  -6.664
  932    QG   LYS  98           QG       LYS  98   0.518  12.432  -6.674
  933    QE   LYS  98           QE       LYS  98   0.150  14.143  -4.930
  934    QZ   LYS  98           QZ       LYS  98  -1.757  15.336  -4.348
  935    H    ARG  99           H        ARG  99  -1.219  12.778  -8.495
  936    HA   ARG  99           HA       ARG  99  -3.295  13.514  -9.065
  937   1HB   ARG  99          2HB       ARG  99  -2.161  15.508 -10.154
  938   2HB   ARG  99          1HB       ARG  99  -2.059  14.606 -11.636
  939   1HG   ARG  99          2HG       ARG  99  -3.869  16.148 -11.826
  940   2HG   ARG  99          1HG       ARG  99  -4.562  14.534 -11.674
  941   1HD   ARG  99          2HD       ARG  99  -5.010  14.918  -9.327
  942   2HD   ARG  99          1HD       ARG  99  -4.231  16.498  -9.418
  943    HE   ARG  99           HE       ARG  99  -6.445  16.098 -11.222
  944   1HH1  ARG  99          1HH1      ARG  99  -5.409  17.362  -8.059
  945   2HH1  ARG  99          2HH1      ARG  99  -6.808  18.296  -7.849
  946   1HH2  ARG  99          1HH2      ARG  99  -8.351  17.439 -10.898
  947   2HH2  ARG  99          2HH2      ARG  99  -8.465  18.369  -9.463
  948    QB   ARG  99           QB       ARG  99  -2.110  15.057 -10.895
  949    QG   ARG  99           QG       ARG  99  -4.215  15.341 -11.750
  950    QD   ARG  99           QD       ARG  99  -4.620  15.708  -9.373
  951    QH1  ARG  99           QH1      ARG  99  -6.108  17.829  -7.954
  952    QH2  ARG  99           QH2      ARG  99  -8.408  17.904 -10.181
  953    H    ARG 100           H        ARG 100  -1.934  11.033  -9.699
  954    HA   ARG 100           HA       ARG 100  -3.247  10.124 -12.081
  955   1HB   ARG 100          2HB       ARG 100  -1.582   8.713 -10.037
  956   2HB   ARG 100          1HB       ARG 100  -2.120   8.028 -11.568
  957   1HG   ARG 100          2HG       ARG 100  -0.828   9.632 -12.796
  958   2HG   ARG 100          1HG       ARG 100  -0.437  10.470 -11.275
  959   1HD   ARG 100          2HD       ARG 100   1.403   8.955 -12.151
  960   2HD   ARG 100          1HD       ARG 100   0.862   8.585 -10.512
  961    HE   ARG 100           HE       ARG 100  -0.580   7.109 -12.457
  962   1HH1  ARG 100          1HH1      ARG 100   2.626   7.112 -10.870
  963   2HH1  ARG 100          2HH1      ARG 100   2.782   5.440 -10.900
  964   1HH2  ARG 100          1HH2      ARG 100  -0.356   4.807 -12.441
  965   2HH2  ARG 100          2HH2      ARG 100   1.045   4.081 -11.795
  966    QB   ARG 100           QB       ARG 100  -1.851   8.370 -10.803
  967    QG   ARG 100           QG       ARG 100  -0.632  10.051 -12.035
  968    QD   ARG 100           QD       ARG 100   1.133   8.770 -11.332
  969    QH1  ARG 100           QH1      ARG 100   2.704   6.276 -10.885
  970    QH2  ARG 100           QH2      ARG 100   0.344   4.444 -12.118
  971    H    PHE 101           H        PHE 101  -3.327   9.175  -8.599
  972    HA   PHE 101           HA       PHE 101  -5.820   7.876  -9.326
  973   1HB   PHE 101          2HB       PHE 101  -3.880   7.198  -7.144
  974   2HB   PHE 101          1HB       PHE 101  -5.522   6.555  -7.132
  975    HD1  PHE 101          1HD       PHE 101  -6.030   4.652  -8.335
  976    HD2  PHE 101          2HD       PHE 101  -2.497   6.798  -9.297
  977    HE1  PHE 101          1HE       PHE 101  -5.396   2.888  -9.936
  978    HE2  PHE 101          2HE       PHE 101  -1.856   5.045 -10.889
  979    HZ   PHE 101           HZ       PHE 101  -3.309   3.088 -11.212
  980    QB   PHE 101           QB       PHE 101  -4.701   6.876  -7.138
  981    QD   PHE 101           QD       PHE 101  -4.263   5.725  -8.816
  982    QE   PHE 101           QE       PHE 101  -3.626   3.967 -10.412
  983    QR   PHE 101           QR       PHE 101  -3.818   4.494  -9.934
  984    H    ALA 102           H        ALA 102  -4.733  10.327  -7.679
  985    HA   ALA 102           HA       ALA 102  -5.666  12.079  -6.519
  986   1HB   ALA 102          2HB       ALA 102  -7.275  12.020  -8.415
  987   2HB   ALA 102          1HB       ALA 102  -8.357  11.061  -7.406
  988   3HB   ALA 102          3HB       ALA 102  -7.946  12.715  -6.937
  989    MB   ALA 102           QB       ALA 102  -7.859  11.932  -7.586
  990    H    GLY 103           H        GLY 103  -6.637   9.024  -5.576
  991   1HA   GLY 103          1HA       GLY 103  -7.974   9.048  -3.295
  992   2HA   GLY 103          2HA       GLY 103  -6.503   9.904  -2.816
  993    QA   GLY 103           QA       GLY 103  -7.238   9.476  -3.055
  994    H    TRP 104           H        TRP 104  -6.170   7.948  -1.413
  995    HA   TRP 104           HA       TRP 104  -4.755   5.945  -2.902
  996   1HB   TRP 104          2HB       TRP 104  -3.672   6.423  -0.837
  997   2HB   TRP 104          1HB       TRP 104  -5.165   6.340   0.071
  998    HD1  TRP 104           HD       TRP 104  -2.270   4.135  -1.092
  999    HE1  TRP 104          1HE       TRP 104  -2.626   1.763  -0.103
 1000    HE3  TRP 104          3HE       TRP 104  -7.013   4.669   0.735
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.708   0.370   1.272
 1002    HZ3  TRP 104          3HZ       TRP 104  -8.055   3.023   1.766
 1003    HH2  TRP 104           HH       TRP 104  -7.050   0.855   2.082
 1004    QB   TRP 104           QB       TRP 104  -4.419   6.382  -0.383
 1005    H    HIS 105           H        HIS 105  -5.357   3.957  -3.452
 1006    HA   HIS 105           HA       HIS 105  -8.157   3.282  -2.896
 1007   1HB   HIS 105          2HB       HIS 105  -6.398   3.009  -5.272
 1008   2HB   HIS 105          1HB       HIS 105  -7.938   2.123  -5.185
 1009    HD1  HIS 105          1HD       HIS 105  -7.523   4.066  -7.463
 1010    HD2  HIS 105          2HD       HIS 105  -9.119   5.223  -3.815
 1011    HE1  HIS 105          1HE       HIS 105  -8.724   6.234  -7.900
 1012    HE2  HIS 105          2HE       HIS 105  -9.816   6.807  -5.695
 1013    QB   HIS 105           QB       HIS 105  -7.168   2.566  -5.228
 1014    H    MET 106           H        MET 106  -8.574   0.988  -2.880
 1015    HA   MET 106           HA       MET 106  -6.213  -0.702  -2.586
 1016   1HB   MET 106          2HB       MET 106  -7.035  -0.069  -0.306
 1017   2HB   MET 106          1HB       MET 106  -8.591  -0.779  -0.701
 1018   1HG   MET 106          2HG       MET 106  -7.580  -2.961  -0.923
 1019   2HG   MET 106          1HG       MET 106  -5.982  -2.269  -0.664
 1020   1HE   MET 106          3HE       MET 106  -6.814  -4.746   0.909
 1021   2HE   MET 106          2HE       MET 106  -5.323  -3.925   1.347
 1022   3HE   MET 106          1HE       MET 106  -6.517  -4.315   2.599
 1023    QB   MET 106           QB       MET 106  -7.813  -0.424  -0.503
 1024    QG   MET 106           QG       MET 106  -6.781  -2.615  -0.794
 1025    ME   MET 106           QE       MET 106  -6.218  -4.329   1.618
 1026    H    GLN 107           H        GLN 107  -6.406  -2.475  -3.813
 1027    HA   GLN 107           HA       GLN 107  -8.671  -2.632  -5.510
 1028   1HB   GLN 107          2HB       GLN 107  -6.354  -3.289  -6.174
 1029   2HB   GLN 107          1HB       GLN 107  -6.518  -4.720  -5.168
 1030   1HG   GLN 107          2HG       GLN 107  -6.909  -5.300  -7.475
 1031   2HG   GLN 107          1HG       GLN 107  -8.404  -5.461  -6.568
 1032   1HE2  GLN 107          1HE2      GLN 107  -7.922  -5.067  -9.422
 1033   2HE2  GLN 107          2HE2      GLN 107  -8.827  -3.668  -9.867
 1034    QB   GLN 107           QB       GLN 107  -6.436  -4.004  -5.671
 1035    QG   GLN 107           QG       GLN 107  -7.657  -5.380  -7.021
 1036    QE   GLN 107           QE2      GLN 107  -8.375  -4.367  -9.645
 1037    H    LEU 108           H        LEU 108  -7.476  -4.955  -3.076
 1038    HA   LEU 108           HA       LEU 108 -10.145  -6.087  -3.069
 1039   1HB   LEU 108          2HB       LEU 108  -7.933  -7.491  -3.016
 1040   2HB   LEU 108          1HB       LEU 108  -7.833  -7.013  -1.341
 1041    HG   LEU 108           HG       LEU 108  -8.699  -9.282  -1.544
 1042   1HD1  LEU 108          3HD1      LEU 108  -9.546  -8.034   0.341
 1043   2HD1  LEU 108          2HD1      LEU 108 -10.882  -7.435  -0.636
 1044   3HD1  LEU 108          1HD1      LEU 108 -10.764  -9.156  -0.270
 1045   1HD2  LEU 108          2HD2      LEU 108  -9.660  -9.147  -3.764
 1046   2HD2  LEU 108          1HD2      LEU 108 -10.846  -9.765  -2.611
 1047   3HD2  LEU 108          3HD2      LEU 108 -10.945  -8.096  -3.169
 1048    MD1  LEU 108           QD1      LEU 108 -10.397  -8.208  -0.188
 1049    MD2  LEU 108           QD2      LEU 108 -10.484  -9.003  -3.181
 1050    QB   LEU 108           QB       LEU 108  -7.883  -7.252  -2.178
 1051    QD   LEU 108           QQD      LEU 108 -10.440  -8.606  -1.685
 1052    H    SER 109           H        SER 109 -10.887  -4.031  -2.337
 1053    HA   SER 109           HA       SER 109 -10.451  -3.495   0.510
 1054   1HB   SER 109          2HB       SER 109 -10.444  -1.631  -1.248
 1055   2HB   SER 109          1HB       SER 109 -12.160  -1.946  -1.471
 1056    HG   SER 109           HG       SER 109 -10.913  -1.198   0.957
 1057    QB   SER 109           QB       SER 109 -11.302  -1.789  -1.359
 1058    H    CYS 110           H        CYS 110 -12.458  -5.037  -1.706
 1059    HA   CYS 110           HA       CYS 110 -14.307  -5.930   0.285
 1060   1HB   CYS 110          2HB       CYS 110 -15.194  -4.652  -2.323
 1061   2HB   CYS 110          1HB       CYS 110 -16.243  -5.454  -1.168
 1062    HG   CYS 110           HG       CYS 110 -14.808  -3.237   0.587
 1063    QB   CYS 110           QB       CYS 110 -15.719  -5.053  -1.746
 1064    H    SER 111           H        SER 111 -15.160  -7.948  -0.458
 1065    HA   SER 111           HA       SER 111 -13.511  -9.309  -2.334
 1066   1HB   SER 111          2HB       SER 111 -16.048 -10.193  -0.938
 1067   2HB   SER 111          1HB       SER 111 -14.885 -11.255  -1.728
 1068    HG   SER 111           HG       SER 111 -14.825 -10.106   0.739
 1069    QB   SER 111           QB       SER 111 -15.466 -10.724  -1.333
 1070    H    GLU 112           H        GLU 112 -14.558 -10.595  -4.114
 1071    HA   GLU 112           HA       GLU 112 -16.013  -8.843  -5.774
 1072   1HB   GLU 112          2HB       GLU 112 -16.009 -10.779  -7.395
 1073   2HB   GLU 112          1HB       GLU 112 -14.445 -10.146  -6.920
 1074   1HG   GLU 112          2HG       GLU 112 -13.818 -12.241  -6.458
 1075   2HG   GLU 112          1HG       GLU 112 -14.972 -12.247  -5.135
 1076    QB   GLU 112           QB       GLU 112 -15.227 -10.462  -7.157
 1077    QG   GLU 112           QG       GLU 112 -14.395 -12.244  -5.796
 1078    H    ALA 113           H        ALA 113 -17.968  -8.346  -5.112
 1079    HA   ALA 113           HA       ALA 113 -19.808 -10.436  -4.378
 1080   1HB   ALA 113          1HB       ALA 113 -19.764  -8.339  -3.091
 1081   2HB   ALA 113          2HB       ALA 113 -21.352  -8.649  -3.800
 1082   3HB   ALA 113          3HB       ALA 113 -20.277  -7.464  -4.536
 1083    MB   ALA 113           QB       ALA 113 -20.464  -8.151  -3.809
 1084    H    ASP 114           H        ASP 114 -19.249  -8.304  -6.976
 1085    HA   ASP 114           HA       ASP 114 -21.738  -9.094  -8.284
 1086   1HB   ASP 114          2HB       ASP 114 -21.360  -7.384  -9.909
 1087   2HB   ASP 114          1HB       ASP 114 -21.000  -6.717  -8.323
 1088    QB   ASP 114           QB       ASP 114 -21.180  -7.050  -9.116
 1089    H    MET 115           H        MET 115 -18.319  -9.597  -8.573
 1090    HA   MET 115           HA       MET 115 -18.564 -10.912 -11.072
 1091   1HB   MET 115          2HB       MET 115 -16.382 -11.541  -9.059
 1092   2HB   MET 115          1HB       MET 115 -16.334 -11.754 -10.779
 1093   1HG   MET 115          2HG       MET 115 -16.237  -9.380 -11.166
 1094   2HG   MET 115          1HG       MET 115 -16.427  -9.060  -9.442
 1095   1HE   MET 115          1HE       MET 115 -14.044  -7.715 -10.971
 1096   2HE   MET 115          3HE       MET 115 -14.223  -7.595  -9.221
 1097   3HE   MET 115          2HE       MET 115 -12.676  -8.061  -9.908
 1098    QB   MET 115           QB       MET 115 -16.358 -11.648  -9.919
 1099    QG   MET 115           QG       MET 115 -16.332  -9.220 -10.304
 1100    ME   MET 115           QE       MET 115 -13.648  -7.790 -10.033
 1101    H    ARG 116           H        ARG 116 -17.946 -12.090  -7.748
 1102    HA   ARG 116           HA       ARG 116 -18.529 -13.795  -6.533
 1103   1HB   ARG 116          2HB       ARG 116 -20.896 -14.572  -6.580
 1104   2HB   ARG 116          1HB       ARG 116 -20.736 -12.831  -6.509
 1105   1HG   ARG 116          2HG       ARG 116 -21.243 -12.737  -8.916
 1106   2HG   ARG 116          1HG       ARG 116 -21.455 -14.486  -8.913
 1107   1HD   ARG 116          2HD       ARG 116 -23.293 -14.297  -7.354
 1108   2HD   ARG 116          1HD       ARG 116 -23.038 -12.554  -7.229
 1109    HE   ARG 116           HE       ARG 116 -23.366 -13.002  -9.869
 1110   1HH1  ARG 116          1HH1      ARG 116 -25.361 -13.650  -7.011
 1111   2HH1  ARG 116          2HH1      ARG 116 -26.829 -13.511  -7.843
 1112   1HH2  ARG 116          1HH2      ARG 116 -25.349 -12.746 -10.977
 1113   2HH2  ARG 116          2HH2      ARG 116 -26.836 -12.979 -10.153
 1114    QB   ARG 116           QB       ARG 116 -20.816 -13.701  -6.544
 1115    QG   ARG 116           QG       ARG 116 -21.349 -13.612  -8.914
 1116    QD   ARG 116           QD       ARG 116 -23.165 -13.425  -7.292
 1117    QH1  ARG 116           QH1      ARG 116 -26.095 -13.580  -7.427
 1118    QH2  ARG 116           QH2      ARG 116 -26.092 -12.863 -10.565
 1119    H    SER 117           H        SER 117 -17.010 -14.375  -8.630
 1120    HA   SER 117           HA       SER 117 -17.928 -16.985  -9.528
 1121   1HB   SER 117          2HB       SER 117 -16.063 -16.723 -11.215
 1122   2HB   SER 117          1HB       SER 117 -17.428 -15.624 -11.385
 1123    HG   SER 117           HG       SER 117 -15.583 -14.459  -9.784
 1124    QB   SER 117           QB       SER 117 -16.745 -16.173 -11.300
 1125    H    LEU 118           H        LEU 118 -16.028 -15.658  -7.148
 1126    HA   LEU 118           HA       LEU 118 -14.746 -18.256  -6.888
 1127   1HB   LEU 118          2HB       LEU 118 -12.646 -17.258  -6.123
 1128   2HB   LEU 118          1HB       LEU 118 -13.011 -16.923  -7.803
 1129    HG   LEU 118           HG       LEU 118 -13.897 -14.641  -6.808
 1130   1HD1  LEU 118          1HD1      LEU 118 -11.902 -15.483  -4.716
 1131   2HD1  LEU 118          3HD1      LEU 118 -12.561 -13.861  -4.923
 1132   3HD1  LEU 118          2HD1      LEU 118 -13.629 -15.193  -4.476
 1133   1HD2  LEU 118          3HD2      LEU 118 -10.973 -15.282  -7.153
 1134   2HD2  LEU 118          2HD2      LEU 118 -12.105 -14.837  -8.424
 1135   3HD2  LEU 118          1HD2      LEU 118 -11.674 -13.665  -7.178
 1136    MD1  LEU 118           QD1      LEU 118 -12.697 -14.846  -4.705
 1137    MD2  LEU 118           QD2      LEU 118 -11.584 -14.595  -7.585
 1138    QB   LEU 118           QB       LEU 118 -12.829 -17.090  -6.963
 1139    QD   LEU 118           QQD      LEU 118 -12.141 -14.720  -6.145
 1140    H    GLY 119           H        GLY 119 -15.932 -15.386  -5.273
 1141   1HA   GLY 119          1HA       GLY 119 -16.659 -15.121  -3.112
 1142   2HA   GLY 119          2HA       GLY 119 -15.589 -16.446  -2.651
 1143    QA   GLY 119           QA       GLY 119 -16.124 -15.783  -2.882
 1144    H    LEU 120           H        LEU 120 -17.988 -16.598  -5.100
 1145    HA   LEU 120           HA       LEU 120 -19.687 -18.233  -3.357
 1146   1HB   LEU 120          2HB       LEU 120 -20.348 -16.732  -5.855
 1147   2HB   LEU 120          1HB       LEU 120 -21.354 -18.057  -5.314
 1148    HG   LEU 120           HG       LEU 120 -21.711 -16.813  -3.165
 1149   1HD1  LEU 120          3HD1      LEU 120 -20.336 -14.551  -4.591
 1150   2HD1  LEU 120          2HD1      LEU 120 -21.244 -14.414  -3.088
 1151   3HD1  LEU 120          1HD1      LEU 120 -19.777 -15.386  -3.145
 1152   1HD2  LEU 120          2HD2      LEU 120 -22.570 -15.443  -5.703
 1153   2HD2  LEU 120          1HD2      LEU 120 -23.391 -16.767  -4.889
 1154   3HD2  LEU 120          3HD2      LEU 120 -23.292 -15.187  -4.111
 1155    MD1  LEU 120           QD1      LEU 120 -20.453 -14.784  -3.608
 1156    MD2  LEU 120           QD2      LEU 120 -23.084 -15.799  -4.901
 1157    QB   LEU 120           QB       LEU 120 -20.851 -17.394  -5.584
 1158    QD   LEU 120           QQD      LEU 120 -21.768 -15.291  -4.255
 1159    H    ALA 121           H        ALA 121 -17.985 -18.340  -6.414
 1160    HA   ALA 121           HA       ALA 121 -18.965 -20.988  -6.751
 1161   1HB   ALA 121          2HB       ALA 121 -18.977 -19.567  -8.729
 1162   2HB   ALA 121          1HB       ALA 121 -17.224 -19.391  -8.625
 1163   3HB   ALA 121          3HB       ALA 121 -17.932 -20.966  -8.975
 1164    MB   ALA 121           QB       ALA 121 -18.045 -19.975  -8.776
 1165    H    GLU 122           H        GLU 122 -17.914 -21.923  -5.055
 1166    HA   GLU 122           HA       GLU 122 -15.290 -22.893  -5.652
 1167   1HB   GLU 122          2HB       GLU 122 -14.793 -20.837  -4.344
 1168   2HB   GLU 122          1HB       GLU 122 -15.808 -21.440  -3.040
 1169   1HG   GLU 122          2HG       GLU 122 -14.275 -23.342  -2.749
 1170   2HG   GLU 122          1HG       GLU 122 -13.258 -22.697  -4.035
 1171    QB   GLU 122           QB       GLU 122 -15.301 -21.139  -3.692
 1172    QG   GLU 122           QG       GLU 122 -13.767 -23.019  -3.392
 1173    H    SER 123           H        SER 123 -16.173 -24.873  -5.820
 1174    HA   SER 123           HA       SER 123 -16.926 -26.157  -3.337
 1175   1HB   SER 123          2HB       SER 123 -19.079 -25.569  -4.492
 1176   2HB   SER 123          1HB       SER 123 -18.509 -26.421  -5.927
 1177    HG   SER 123           HG       SER 123 -19.408 -27.401  -3.485
 1178    QB   SER 123           QB       SER 123 -18.794 -25.995  -5.210
 1179    H    ARG 124           H        ARG 124 -16.586 -28.491  -3.547
 1180    HA   ARG 124           HA       ARG 124 -14.533 -28.983  -5.587
 1181   1HB   ARG 124          2HB       ARG 124 -15.045 -30.707  -3.168
 1182   2HB   ARG 124          1HB       ARG 124 -13.627 -30.686  -4.193
 1183   1HG   ARG 124          2HG       ARG 124 -14.498 -28.699  -2.163
 1184   2HG   ARG 124          1HG       ARG 124 -13.006 -29.657  -2.144
 1185   1HD   ARG 124          2HD       ARG 124 -13.738 -27.241  -3.786
 1186   2HD   ARG 124          1HD       ARG 124 -12.371 -27.453  -2.702
 1187    HE   ARG 124           HE       ARG 124 -11.960 -29.286  -4.674
 1188   1HH1  ARG 124          1HH1      ARG 124 -12.180 -25.758  -4.457
 1189   2HH1  ARG 124          2HH1      ARG 124 -11.553 -25.452  -6.005
 1190   1HH2  ARG 124          1HH2      ARG 124 -11.001 -28.879  -6.819
 1191   2HH2  ARG 124          2HH2      ARG 124 -10.832 -27.293  -7.377
 1192    QB   ARG 124           QB       ARG 124 -14.336 -30.697  -3.681
 1193    QG   ARG 124           QG       ARG 124 -13.752 -29.178  -2.153
 1194    QD   ARG 124           QD       ARG 124 -13.055 -27.347  -3.244
 1195    QH1  ARG 124           QH1      ARG 124 -11.867 -25.605  -5.231
 1196    QH2  ARG 124           QH2      ARG 124 -10.916 -28.086  -7.098
 1197    H    GLN 125           H        GLN 125 -17.660 -29.384  -5.101
 1198    HA   GLN 125           HA       GLN 125 -17.794 -31.845  -6.717
 1199   1HB   GLN 125          2HB       GLN 125 -18.313 -32.443  -4.427
 1200   2HB   GLN 125          1HB       GLN 125 -19.503 -31.164  -4.323
 1201   1HG   GLN 125          2HG       GLN 125 -20.821 -32.306  -6.086
 1202   2HG   GLN 125          1HG       GLN 125 -19.651 -33.623  -6.057
 1203   1HE2  GLN 125          1HE2      GLN 125 -19.292 -33.487  -3.182
 1204   2HE2  GLN 125          2HE2      GLN 125 -20.708 -34.149  -2.467
 1205    QB   GLN 125           QB       GLN 125 -18.908 -31.803  -4.375
 1206    QG   GLN 125           QG       GLN 125 -20.236 -32.964  -6.071
 1207    QE   GLN 125           QE2      GLN 125 -20.000 -33.818  -2.824

  No H/Q in entry =        1207
  Start of MODEL   19
    1    H1   LEU   5          3HT       LEU   5 -12.562  30.295 -21.741
    2    H2   LEU   5          2HT       LEU   5 -12.691  30.113 -23.412
    3    H3   LEU   5          1HT       LEU   5 -13.756  29.290 -22.384
    4    HA   LEU   5           HA       LEU   5 -11.918  28.044 -21.464
    5   1HB   LEU   5          2HB       LEU   5 -12.105  28.010 -24.474
    6   2HB   LEU   5          1HB       LEU   5 -11.080  26.890 -23.605
    7    HG   LEU   5           HG       LEU   5 -13.015  25.732 -24.203
    8   1HD1  LEU   5          3HD1      LEU   5 -12.307  25.217 -21.995
    9   2HD1  LEU   5          2HD1      LEU   5 -13.335  26.490 -21.328
   10   3HD1  LEU   5          1HD1      LEU   5 -14.059  25.096 -22.118
   11   1HD2  LEU   5          1HD2      LEU   5 -14.449  27.596 -24.760
   12   2HD2  LEU   5          3HD2      LEU   5 -15.290  26.442 -23.730
   13   3HD2  LEU   5          2HD2      LEU   5 -14.687  27.954 -23.047
   14    MD1  LEU   5           QD1      LEU   5 -13.234  25.601 -21.814
   15    MD2  LEU   5           QD2      LEU   5 -14.809  27.331 -23.846
   16    QB   LEU   5           QB       LEU   5 -11.593  27.450 -24.039
   17    QD   LEU   5           QQD      LEU   5 -14.021  26.466 -22.830
   18    H    GLU   6           H        GLU   6  -9.993  28.384 -20.658
   19    HA   GLU   6           HA       GLU   6  -7.955  29.591 -22.324
   20   1HB   GLU   6          2HB       GLU   6  -8.577  31.002 -20.340
   21   2HB   GLU   6          1HB       GLU   6  -8.240  29.555 -19.377
   22   1HG   GLU   6          2HG       GLU   6  -6.551  31.285 -19.313
   23   2HG   GLU   6          1HG       GLU   6  -5.919  29.722 -19.854
   24    QB   GLU   6           QB       GLU   6  -8.409  30.279 -19.859
   25    QG   GLU   6           QG       GLU   6  -6.235  30.503 -19.584
   26    H    ALA   7           H        ALA   7  -5.924  28.656 -22.009
   27    HA   ALA   7           HA       ALA   7  -6.077  25.772 -21.776
   28   1HB   ALA   7          2HB       ALA   7  -3.645  27.510 -22.207
   29   2HB   ALA   7          3HB       ALA   7  -4.653  26.820 -23.480
   30   3HB   ALA   7          1HB       ALA   7  -3.733  25.760 -22.416
   31    MB   ALA   7           QB       ALA   7  -4.011  26.697 -22.701
   32    H    ASP   8           H        ASP   8  -4.982  24.480 -20.345
   33    HA   ASP   8           HA       ASP   8  -4.839  25.454 -17.668
   34   1HB   ASP   8          2HB       ASP   8  -5.575  23.141 -18.165
   35   2HB   ASP   8          1HB       ASP   8  -3.995  22.793 -18.844
   36    QB   ASP   8           QB       ASP   8  -4.785  22.967 -18.504
   37    H    VAL   9           H        VAL   9  -2.928  25.427 -16.314
   38    HA   VAL   9           HA       VAL   9  -0.844  26.616 -17.543
   39    HB   VAL   9           HB       VAL   9   0.248  26.673 -15.305
   40   1HG1  VAL   9          3HG1      VAL   9  -2.661  27.450 -15.444
   41   2HG1  VAL   9          2HG1      VAL   9  -1.486  28.084 -14.297
   42   3HG1  VAL   9          1HG1      VAL   9  -1.299  28.411 -16.021
   43   1HG2  VAL   9          3HG2      VAL   9  -0.581  24.539 -14.535
   44   2HG2  VAL   9          2HG2      VAL   9  -1.031  25.827 -13.397
   45   3HG2  VAL   9          1HG2      VAL   9  -2.225  25.170 -14.542
   46    MG1  VAL   9           QG1      VAL   9  -1.815  27.982 -15.254
   47    MG2  VAL   9           QG2      VAL   9  -1.279  25.179 -14.158
   48    QG   VAL   9           QQG      VAL   9  -1.547  26.580 -14.706
   49    H    THR  10           H        THR  10  -1.503  23.340 -16.969
   50    HA   THR  10           HA       THR  10  -0.439  21.427 -16.916
   51    HB   THR  10           HB       THR  10   1.276  21.001 -18.468
   52    HG1  THR  10          1HG       THR  10   1.673  23.664 -18.322
   53   1HG2  THR  10          2HG2      THR  10  -0.992  20.982 -19.290
   54   2HG2  THR  10          1HG2      THR  10  -0.927  22.713 -19.619
   55   3HG2  THR  10          3HG2      THR  10   0.059  21.600 -20.568
   56    MG   THR  10           QG2      THR  10  -0.620  21.765 -19.826
   57    H    MET  11           H        MET  11  -0.060  21.720 -14.739
   58    HA   MET  11           HA       MET  11   2.493  22.598 -13.935
   59   1HB   MET  11          2HB       MET  11   1.868  21.958 -11.669
   60   2HB   MET  11          1HB       MET  11   0.513  22.779 -12.418
   61   1HG   MET  11          2HG       MET  11  -0.525  21.042 -11.387
   62   2HG   MET  11          1HG       MET  11  -0.204  20.381 -12.995
   63   1HE   MET  11          3HE       MET  11   0.051  18.187 -12.911
   64   2HE   MET  11          2HE       MET  11   0.541  17.122 -11.565
   65   3HE   MET  11          1HE       MET  11  -0.868  18.215 -11.405
   66    QB   MET  11           QB       MET  11   1.191  22.368 -12.043
   67    QG   MET  11           QG       MET  11  -0.365  20.712 -12.191
   68    ME   MET  11           QE       MET  11  -0.092  17.841 -11.960
   69    H    THR  12           H        THR  12   4.290  21.628 -13.758
   70    HA   THR  12           HA       THR  12   4.513  19.048 -14.981
   71    HB   THR  12           HB       THR  12   6.826  19.480 -14.650
   72    HG1  THR  12          1HG       THR  12   7.457  21.455 -13.820
   73   1HG2  THR  12          2HG2      THR  12   5.229  21.545 -16.170
   74   2HG2  THR  12          1HG2      THR  12   6.953  21.242 -16.414
   75   3HG2  THR  12          3HG2      THR  12   5.780  19.975 -16.759
   76    MG   THR  12           QG2      THR  12   5.987  20.921 -16.448
   77    H    GLY  13           H        GLY  13   4.249  20.276 -11.837
   78   1HA   GLY  13          1HA       GLY  13   4.170  17.746 -10.661
   79   2HA   GLY  13          2HA       GLY  13   4.270  19.268  -9.797
   80    QA   GLY  13           QA       GLY  13   4.220  18.507 -10.229
   81    H    SER  14           H        SER  14   6.223  19.968  -9.041
   82    HA   SER  14           HA       SER  14   8.570  18.458  -9.770
   83   1HB   SER  14          2HB       SER  14   9.644  20.343  -8.414
   84   2HB   SER  14          1HB       SER  14   8.879  20.726  -9.966
   85    HG   SER  14           HG       SER  14   8.174  21.490  -7.415
   86    QB   SER  14           QB       SER  14   9.261  20.535  -9.190
   87    H    ASP  15           H        ASP  15   6.626  19.298  -6.859
   88    HA   ASP  15           HA       ASP  15   8.413  17.662  -5.412
   89   1HB   ASP  15          2HB       ASP  15   7.408  18.711  -3.493
   90   2HB   ASP  15          1HB       ASP  15   8.411  19.823  -4.371
   91    QB   ASP  15           QB       ASP  15   7.910  19.267  -3.932
   92    H    LEU  16           H        LEU  16   6.721  16.425  -6.884
   93    HA   LEU  16           HA       LEU  16   5.476  14.901  -4.756
   94   1HB   LEU  16          2HB       LEU  16   4.691  14.912  -7.630
   95   2HB   LEU  16          1HB       LEU  16   3.963  13.950  -6.356
   96    HG   LEU  16           HG       LEU  16   2.434  15.477  -6.743
   97   1HD1  LEU  16          3HD1      LEU  16   2.690  15.528  -4.443
   98   2HD1  LEU  16          2HD1      LEU  16   3.926  16.781  -4.546
   99   3HD1  LEU  16          1HD1      LEU  16   2.258  17.148  -4.993
  100   1HD2  LEU  16          1HD2      LEU  16   4.500  17.547  -7.284
  101   2HD2  LEU  16          3HD2      LEU  16   3.361  16.693  -8.348
  102   3HD2  LEU  16          2HD2      LEU  16   2.744  17.870  -7.177
  103    MD1  LEU  16           QD1      LEU  16   2.958  16.486  -4.661
  104    MD2  LEU  16           QD2      LEU  16   3.535  17.370  -7.603
  105    QB   LEU  16           QB       LEU  16   4.327  14.431  -6.993
  106    QD   LEU  16           QQD      LEU  16   3.247  16.928  -6.132
  107    H    VAL  17           H        VAL  17   5.565  12.773  -4.865
  108    HA   VAL  17           HA       VAL  17   7.503  11.697  -6.490
  109    HB   VAL  17           HB       VAL  17   7.835  11.968  -3.512
  110   1HG1  VAL  17          2HG1      VAL  17   8.968   9.986  -5.315
  111   2HG1  VAL  17          1HG1      VAL  17   9.727  10.349  -3.708
  112   3HG1  VAL  17          3HG1      VAL  17   8.040   9.760  -3.804
  113   1HG2  VAL  17          3HG2      VAL  17   8.998  13.640  -4.920
  114   2HG2  VAL  17          2HG2      VAL  17  10.136  12.630  -4.025
  115   3HG2  VAL  17          1HG2      VAL  17   9.855  12.337  -5.736
  116    MG1  VAL  17           QG1      VAL  17   8.912  10.031  -4.276
  117    MG2  VAL  17           QG2      VAL  17   9.663  12.869  -4.894
  118    QG   VAL  17           QQG      VAL  17   9.287  11.450  -4.585
  119    H    SER  18           H        SER  18   7.174   9.392  -6.418
  120    HA   SER  18           HA       SER  18   5.029   8.423  -4.689
  121   1HB   SER  18          2HB       SER  18   4.124   7.004  -6.491
  122   2HB   SER  18          1HB       SER  18   4.019   8.707  -6.923
  123    HG   SER  18           HG       SER  18   6.359   7.576  -7.692
  124    QB   SER  18           QB       SER  18   4.071   7.855  -6.707
  125    H    CYS  19           H        CYS  19   5.689   6.808  -3.536
  126    HA   CYS  19           HA       CYS  19   8.047   5.390  -4.445
  127   1HB   CYS  19          2HB       CYS  19   8.354   4.783  -2.067
  128   2HB   CYS  19          1HB       CYS  19   7.975   6.468  -2.182
  129    HG   CYS  19           HG       CYS  19   6.879   5.068  -0.012
  130    QB   CYS  19           QB       CYS  19   8.165   5.626  -2.125
  131    H    CYS  20           H        CYS  20   7.851   3.284  -5.062
  132    HA   CYS  20           HA       CYS  20   5.116   2.179  -5.015
  133   1HB   CYS  20          2HB       CYS  20   7.260   1.725  -7.111
  134   2HB   CYS  20          1HB       CYS  20   5.577   1.210  -7.173
  135    HG   CYS  20           HG       CYS  20   5.347   4.327  -6.774
  136    QB   CYS  20           QB       CYS  20   6.418   1.468  -7.142
  137    H    TYR  21           H        TYR  21   5.112   0.499  -3.553
  138    HA   TYR  21           HA       TYR  21   7.687  -0.832  -3.384
  139   1HB   TYR  21          2HB       TYR  21   7.572  -0.986  -1.106
  140   2HB   TYR  21          1HB       TYR  21   7.157   0.646  -1.538
  141    HD1  TYR  21          1HD       TYR  21   5.487  -2.520  -0.495
  142    HD2  TYR  21          2HD       TYR  21   5.521   1.719  -0.493
  143    HE1  TYR  21          1HE       TYR  21   3.707  -2.519   1.136
  144    HE2  TYR  21          2HE       TYR  21   3.742   1.731   1.140
  145    HH   TYR  21           HH       TYR  21   1.909   0.179   1.940
  146    QB   TYR  21           QB       TYR  21   7.364  -0.170  -1.322
  147    QD   TYR  21           QD       TYR  21   5.504  -0.401  -0.494
  148    QE   TYR  21           QE       TYR  21   3.724  -0.394   1.138
  149    QR   TYR  21           QR       TYR  21   4.614  -0.397   0.322
  150    H    ARG  22           H        ARG  22   7.719  -2.961  -2.819
  151    HA   ARG  22           HA       ARG  22   5.295  -4.470  -3.483
  152   1HB   ARG  22          2HB       ARG  22   7.166  -4.403  -5.192
  153   2HB   ARG  22          1HB       ARG  22   8.187  -5.193  -4.015
  154   1HG   ARG  22          2HG       ARG  22   5.668  -6.389  -5.177
  155   2HG   ARG  22          1HG       ARG  22   7.284  -6.682  -5.791
  156   1HD   ARG  22          2HD       ARG  22   6.204  -7.426  -3.078
  157   2HD   ARG  22          1HD       ARG  22   6.578  -8.526  -4.397
  158    HE   ARG  22           HE       ARG  22   8.464  -7.153  -2.635
  159   1HH1  ARG  22          1HH1      ARG  22   8.020  -9.279  -5.456
  160   2HH1  ARG  22          2HH1      ARG  22   9.518 -10.047  -5.287
  161   1HH2  ARG  22          1HH2      ARG  22  10.532  -8.304  -2.366
  162   2HH2  ARG  22          2HH2      ARG  22  10.946  -9.506  -3.502
  163    QB   ARG  22           QB       ARG  22   7.677  -4.798  -4.604
  164    QG   ARG  22           QG       ARG  22   6.476  -6.536  -5.484
  165    QD   ARG  22           QD       ARG  22   6.391  -7.976  -3.738
  166    QH1  ARG  22           QH1      ARG  22   8.769  -9.663  -5.372
  167    QH2  ARG  22           QH2      ARG  22  10.739  -8.905  -2.934
  168    H    SER  23           H        SER  23   4.616  -5.521  -1.731
  169    HA   SER  23           HA       SER  23   6.582  -6.507   0.210
  170   1HB   SER  23          2HB       SER  23   3.714  -5.678   0.653
  171   2HB   SER  23          1HB       SER  23   4.812  -6.305   1.889
  172    HG   SER  23           HG       SER  23   5.428  -4.114   0.298
  173    QB   SER  23           QB       SER  23   4.263  -5.991   1.271
  174    H    LEU  24           H        LEU  24   5.632  -8.447   1.361
  175    HA   LEU  24           HA       LEU  24   4.031 -10.061  -0.525
  176   1HB   LEU  24          2HB       LEU  24   6.382 -11.033   1.115
  177   2HB   LEU  24          1HB       LEU  24   5.228 -12.111   0.380
  178    HG   LEU  24           HG       LEU  24   7.162 -12.135  -0.956
  179   1HD1  LEU  24          1HD1      LEU  24   5.108 -12.166  -2.208
  180   2HD1  LEU  24          3HD1      LEU  24   5.149 -10.405  -2.350
  181   3HD1  LEU  24          2HD1      LEU  24   6.398 -11.378  -3.116
  182   1HD2  LEU  24          2HD2      LEU  24   8.235 -10.087  -0.217
  183   2HD2  LEU  24          1HD2      LEU  24   8.140 -10.151  -1.981
  184   3HD2  LEU  24          3HD2      LEU  24   7.016  -9.143  -1.085
  185    MD1  LEU  24           QD1      LEU  24   5.552 -11.317  -2.558
  186    MD2  LEU  24           QD2      LEU  24   7.797  -9.793  -1.094
  187    QB   LEU  24           QB       LEU  24   5.805 -11.572   0.748
  188    QD   LEU  24           QQD      LEU  24   6.674 -10.555  -1.826
  189    H    ALA  25           H        ALA  25   2.668  -8.727   1.143
  190    HA   ALA  25           HA       ALA  25   1.756  -8.645   3.435
  191   1HB   ALA  25          1HB       ALA  25   0.104 -10.428   1.627
  192   2HB   ALA  25          2HB       ALA  25   0.072  -8.640   1.741
  193   3HB   ALA  25          3HB       ALA  25  -0.461  -9.594   3.077
  194    MB   ALA  25           QB       ALA  25  -0.095  -9.554   2.148
  195    H    ALA  26           H        ALA  26   2.345  -9.458   5.374
  196    HA   ALA  26           HA       ALA  26   3.603 -11.856   5.457
  197   1HB   ALA  26          3HB       ALA  26   4.033  -9.993   6.829
  198   2HB   ALA  26          2HB       ALA  26   2.428 -10.138   7.563
  199   3HB   ALA  26          1HB       ALA  26   3.654 -11.395   7.858
  200    MB   ALA  26           QB       ALA  26   3.372 -10.508   7.417
  201    HA   PRO  27           HA       PRO  27   0.294 -14.884   6.045
  202   1HB   PRO  27          2HB       PRO  27   1.611 -16.536   7.773
  203   2HB   PRO  27          1HB       PRO  27   1.963 -16.485   6.037
  204   1HG   PRO  27          2HG       PRO  27   3.217 -14.797   8.197
  205   2HG   PRO  27          1HG       PRO  27   4.094 -15.951   7.109
  206   1HD   PRO  27          2HD       PRO  27   4.091 -13.470   6.573
  207   2HD   PRO  27          1HD       PRO  27   3.468 -14.518   5.270
  208    QB   PRO  27           QB       PRO  27   1.787 -16.510   6.905
  209    QG   PRO  27           QG       PRO  27   3.655 -15.374   7.653
  210    QD   PRO  27           QD       PRO  27   3.780 -13.994   5.921
  211    H    ASP  28           H        ASP  28   1.444 -12.992   8.416
  212    HA   ASP  28           HA       ASP  28  -0.373 -14.040  10.453
  213   1HB   ASP  28          2HB       ASP  28   0.884 -12.678  12.122
  214   2HB   ASP  28          1HB       ASP  28   1.854 -13.899  11.313
  215    QB   ASP  28           QB       ASP  28   1.369 -13.289  11.718
  216    H    LEU  29           H        LEU  29  -0.802 -12.199   8.127
  217    HA   LEU  29           HA       LEU  29  -1.996  -9.871   9.321
  218   1HB   LEU  29          2HB       LEU  29  -1.771 -11.022   6.616
  219   2HB   LEU  29          1HB       LEU  29  -3.017  -9.816   6.906
  220    HG   LEU  29           HG       LEU  29  -0.066  -9.421   7.374
  221   1HD1  LEU  29          2HD1      LEU  29  -1.878  -8.653   5.095
  222   2HD1  LEU  29          1HD1      LEU  29  -0.193  -8.119   5.293
  223   3HD1  LEU  29          3HD1      LEU  29  -0.550  -9.828   5.060
  224   1HD2  LEU  29          2HD2      LEU  29  -2.419  -7.546   7.265
  225   2HD2  LEU  29          1HD2      LEU  29  -1.478  -7.937   8.699
  226   3HD2  LEU  29          3HD2      LEU  29  -0.739  -7.039   7.369
  227    MD1  LEU  29           QD1      LEU  29  -0.874  -8.867   5.149
  228    MD2  LEU  29           QD2      LEU  29  -1.545  -7.507   7.778
  229    QB   LEU  29           QB       LEU  29  -2.394 -10.419   6.761
  230    QD   LEU  29           QQD      LEU  29  -1.210  -8.187   6.463
  231    H    THR  30           H        THR  30  -4.174  -9.461   9.474
  232    HA   THR  30           HA       THR  30  -5.997 -11.716   9.067
  233    HB   THR  30           HB       THR  30  -7.430 -10.416  10.575
  234    HG1  THR  30          1HG       THR  30  -6.286  -9.090  12.107
  235   1HG2  THR  30          1HG2      THR  30  -6.397 -12.414  11.233
  236   2HG2  THR  30          3HG2      THR  30  -4.940 -11.531  11.770
  237   3HG2  THR  30          2HG2      THR  30  -6.536 -11.238  12.555
  238    MG   THR  30           QG2      THR  30  -5.957 -11.728  11.853
  239    H    LEU  31           H        LEU  31  -8.090 -11.023   8.429
  240    HA   LEU  31           HA       LEU  31  -8.251  -9.021   6.401
  241   1HB   LEU  31          2HB       LEU  31  -9.864 -10.928   6.810
  242   2HB   LEU  31          1HB       LEU  31 -10.228  -9.989   8.270
  243    HG   LEU  31           HG       LEU  31 -11.097  -8.157   6.959
  244   1HD1  LEU  31          2HD1      LEU  31  -9.775  -8.459   4.947
  245   2HD1  LEU  31          1HD1      LEU  31 -10.722  -9.897   4.525
  246   3HD1  LEU  31          3HD1      LEU  31 -11.490  -8.300   4.609
  247   1HD2  LEU  31          3HD2      LEU  31 -12.358 -10.801   6.312
  248   2HD2  LEU  31          2HD2      LEU  31 -12.595  -9.828   7.763
  249   3HD2  LEU  31          1HD2      LEU  31 -13.160  -9.225   6.199
  250    MD1  LEU  31           QD1      LEU  31 -10.662  -8.886   4.694
  251    MD2  LEU  31           QD2      LEU  31 -12.704  -9.951   6.758
  252    QB   LEU  31           QB       LEU  31 -10.046 -10.459   7.540
  253    QD   LEU  31           QQD      LEU  31 -11.683  -9.418   5.726
  254    H    ARG  32           H        ARG  32  -8.779  -8.976   9.921
  255    HA   ARG  32           HA       ARG  32  -9.946  -6.410   9.626
  256   1HB   ARG  32          2HB       ARG  32 -10.385  -7.884  11.642
  257   2HB   ARG  32          1HB       ARG  32  -8.784  -7.414  12.220
  258   1HG   ARG  32          2HG       ARG  32 -10.387  -5.956  13.272
  259   2HG   ARG  32          1HG       ARG  32  -9.498  -5.037  12.034
  260   1HD   ARG  32          2HD       ARG  32 -11.366  -5.475  10.437
  261   2HD   ARG  32          1HD       ARG  32 -12.252  -6.221  11.758
  262    HE   ARG  32           HE       ARG  32 -11.488  -3.627  12.480
  263   1HH1  ARG  32          1HH1      ARG  32 -13.747  -5.359  10.357
  264   2HH1  ARG  32          2HH1      ARG  32 -14.843  -4.064  10.237
  265   1HH2  ARG  32          1HH2      ARG  32 -12.990  -1.859  12.288
  266   2HH2  ARG  32          2HH2      ARG  32 -14.402  -2.046  11.347
  267    QB   ARG  32           QB       ARG  32  -9.584  -7.649  11.931
  268    QG   ARG  32           QG       ARG  32  -9.943  -5.497  12.653
  269    QD   ARG  32           QD       ARG  32 -11.809  -5.848  11.098
  270    QH1  ARG  32           QH1      ARG  32 -14.295  -4.712  10.297
  271    QH2  ARG  32           QH2      ARG  32 -13.696  -1.952  11.818
  272    H    ASP  33           H        ASP  33  -6.736  -7.589   9.942
  273    HA   ASP  33           HA       ASP  33  -5.665  -5.045  10.564
  274   1HB   ASP  33          2HB       ASP  33  -4.501  -7.295  10.927
  275   2HB   ASP  33          1HB       ASP  33  -4.154  -7.275   9.202
  276    QB   ASP  33           QB       ASP  33  -4.327  -7.285  10.065
  277    H    LEU  34           H        LEU  34  -6.535  -6.723   7.509
  278    HA   LEU  34           HA       LEU  34  -5.222  -4.729   5.835
  279   1HB   LEU  34          2HB       LEU  34  -7.574  -6.511   5.186
  280   2HB   LEU  34          1HB       LEU  34  -7.009  -5.293   4.082
  281    HG   LEU  34           HG       LEU  34  -6.192  -7.336   3.317
  282   1HD1  LEU  34          1HD1      LEU  34  -4.579  -5.550   3.189
  283   2HD1  LEU  34          3HD1      LEU  34  -3.932  -6.002   4.767
  284   3HD1  LEU  34          2HD1      LEU  34  -3.784  -7.103   3.410
  285   1HD2  LEU  34          1HD2      LEU  34  -6.582  -8.510   5.360
  286   2HD2  LEU  34          3HD2      LEU  34  -5.017  -8.944   4.644
  287   3HD2  LEU  34          2HD2      LEU  34  -5.092  -7.833   6.038
  288    MD1  LEU  34           QD1      LEU  34  -4.098  -6.218   3.789
  289    MD2  LEU  34           QD2      LEU  34  -5.564  -8.429   5.348
  290    QB   LEU  34           QB       LEU  34  -7.291  -5.902   4.634
  291    QD   LEU  34           QQD      LEU  34  -4.831  -7.324   4.568
  292    H    LEU  35           H        LEU  35  -8.300  -5.082   7.212
  293    HA   LEU  35           HA       LEU  35  -9.307  -2.692   6.050
  294   1HB   LEU  35          2HB       LEU  35 -10.404  -4.584   8.118
  295   2HB   LEU  35          1HB       LEU  35 -11.246  -3.097   7.729
  296    HG   LEU  35           HG       LEU  35 -12.128  -5.163   6.517
  297   1HD1  LEU  35          1HD1      LEU  35 -12.543  -2.899   5.669
  298   2HD1  LEU  35          3HD1      LEU  35 -11.035  -2.972   4.756
  299   3HD1  LEU  35          2HD1      LEU  35 -12.353  -4.067   4.361
  300   1HD2  LEU  35          3HD2      LEU  35  -9.503  -4.930   5.057
  301   2HD2  LEU  35          2HD2      LEU  35  -9.935  -6.239   6.084
  302   3HD2  LEU  35          1HD2      LEU  35 -10.826  -5.995   4.562
  303    MD1  LEU  35           QD1      LEU  35 -11.977  -3.313   4.929
  304    MD2  LEU  35           QD2      LEU  35 -10.088  -5.721   5.234
  305    QB   LEU  35           QB       LEU  35 -10.825  -3.840   7.923
  306    QD   LEU  35           QQD      LEU  35 -11.032  -4.517   5.082
  307    H    ASP  36           H        ASP  36  -7.543  -3.389   8.778
  308    HA   ASP  36           HA       ASP  36  -7.853  -0.763  10.040
  309   1HB   ASP  36          2HB       ASP  36  -7.023  -2.860  11.257
  310   2HB   ASP  36          1HB       ASP  36  -5.505  -2.655  10.394
  311    QB   ASP  36           QB       ASP  36  -6.264  -2.757  10.825
  312    H    ILE  37           H        ILE  37  -5.419  -2.381   8.064
  313    HA   ILE  37           HA       ILE  37  -3.528  -0.463   7.609
  314    HB   ILE  37           HB       ILE  37  -4.610  -2.648   5.842
  315   1HG1  ILE  37          2HG1      ILE  37  -1.839  -2.340   6.900
  316   2HG1  ILE  37          1HG1      ILE  37  -3.084  -2.982   7.940
  317   1HG2  ILE  37          3HG2      ILE  37  -2.340  -0.792   5.123
  318   2HG2  ILE  37          2HG2      ILE  37  -2.717  -2.292   4.278
  319   3HG2  ILE  37          1HG2      ILE  37  -3.872  -0.957   4.265
  320   1HD1  ILE  37          3HD1      ILE  37  -2.326  -4.097   5.258
  321   2HD1  ILE  37          2HD1      ILE  37  -1.689  -4.703   6.791
  322   3HD1  ILE  37          1HD1      ILE  37  -3.416  -4.834   6.419
  323    MG   ILE  37           QG2      ILE  37  -2.976  -1.347   4.555
  324    MD   ILE  37           QD1      ILE  37  -2.477  -4.545   6.156
  325    QG   ILE  37           QG1      ILE  37  -2.462  -2.661   7.420
  326    H    VAL  38           H        VAL  38  -6.427  -0.989   5.680
  327    HA   VAL  38           HA       VAL  38  -6.000   1.137   3.928
  328    HB   VAL  38           HB       VAL  38  -7.693  -0.600   3.465
  329   1HG1  VAL  38          3HG1      VAL  38  -8.686  -0.786   5.671
  330   2HG1  VAL  38          2HG1      VAL  38  -9.426   0.804   5.472
  331   3HG1  VAL  38          1HG1      VAL  38  -9.915  -0.527   4.425
  332   1HG2  VAL  38          1HG2      VAL  38  -8.796   2.203   3.399
  333   2HG2  VAL  38          3HG2      VAL  38  -7.775   1.447   2.179
  334   3HG2  VAL  38          2HG2      VAL  38  -9.407   0.845   2.448
  335    MG1  VAL  38           QG1      VAL  38  -9.342  -0.170   5.189
  336    MG2  VAL  38           QG2      VAL  38  -8.659   1.498   2.675
  337    QG   VAL  38           QQG      VAL  38  -9.001   0.664   3.932
  338    H    GLU  39           H        GLU  39  -7.497   1.209   7.100
  339    HA   GLU  39           HA       GLU  39  -8.297   3.927   6.821
  340   1HB   GLU  39          2HB       GLU  39  -8.347   1.958   9.055
  341   2HB   GLU  39          1HB       GLU  39  -8.605   3.652   9.410
  342   1HG   GLU  39          2HG       GLU  39 -10.202   2.037   7.437
  343   2HG   GLU  39          1HG       GLU  39 -10.705   2.416   9.088
  344    QB   GLU  39           QB       GLU  39  -8.476   2.805   9.232
  345    QG   GLU  39           QG       GLU  39 -10.453   2.227   8.263
  346    H    THR  40           H        THR  40  -5.629   2.331   8.595
  347    HA   THR  40           HA       THR  40  -4.626   4.757   9.618
  348    HB   THR  40           HB       THR  40  -3.933   2.605  10.636
  349    HG1  THR  40          1HG       THR  40  -2.164   4.550   9.821
  350   1HG2  THR  40          1HG2      THR  40  -2.335   2.239   8.100
  351   2HG2  THR  40          3HG2      THR  40  -2.208   1.220   9.534
  352   3HG2  THR  40          2HG2      THR  40  -3.717   1.269   8.610
  353    MG   THR  40           QG2      THR  40  -2.753   1.576   8.748
  354    H    SER  41           H        SER  41  -4.331   3.385   6.478
  355    HA   SER  41           HA       SER  41  -2.048   4.970   5.830
  356   1HB   SER  41          2HB       SER  41  -2.494   4.105   3.487
  357   2HB   SER  41          1HB       SER  41  -2.190   2.866   4.701
  358    HG   SER  41           HG       SER  41  -4.221   2.255   4.645
  359    QB   SER  41           QB       SER  41  -2.342   3.485   4.094
  360    H    GLN  42           H        GLN  42  -5.392   4.843   4.698
  361    HA   GLN  42           HA       GLN  42  -5.261   7.069   3.077
  362   1HB   GLN  42          2HB       GLN  42  -7.617   6.900   2.861
  363   2HB   GLN  42          1HB       GLN  42  -6.990   5.275   3.025
  364   1HG   GLN  42          2HG       GLN  42  -8.678   5.026   4.485
  365   2HG   GLN  42          1HG       GLN  42  -7.598   5.861   5.604
  366   1HE2  GLN  42          1HE2      GLN  42 -10.409   5.822   5.680
  367   2HE2  GLN  42          2HE2      GLN  42 -10.954   7.457   5.405
  368    QB   GLN  42           QB       GLN  42  -7.303   6.088   2.943
  369    QG   GLN  42           QG       GLN  42  -8.138   5.444   5.044
  370    QE   GLN  42           QE2      GLN  42 -10.681   6.640   5.543
  371    H    ALA  43           H        ALA  43  -6.120   6.887   6.503
  372    HA   ALA  43           HA       ALA  43  -7.200   9.484   6.646
  373   1HB   ALA  43          2HB       ALA  43  -7.067   9.214   9.059
  374   2HB   ALA  43          3HB       ALA  43  -6.023   7.805   8.851
  375   3HB   ALA  43          1HB       ALA  43  -7.689   7.752   8.276
  376    MB   ALA  43           QB       ALA  43  -6.926   8.257   8.729
  377    H    HIS  44           H        HIS  44  -3.945   8.301   7.089
  378    HA   HIS  44           HA       HIS  44  -3.030  10.936   7.933
  379   1HB   HIS  44          2HB       HIS  44  -1.927   8.739   8.731
  380   2HB   HIS  44          1HB       HIS  44  -1.367   8.644   7.049
  381    HD1  HIS  44          1HD       HIS  44  -1.010  11.096   9.961
  382    HD2  HIS  44          2HD       HIS  44   1.038   9.769   6.596
  383    HE1  HIS  44          1HE       HIS  44   1.188  12.266   9.998
  384    HE2  HIS  44          2HE       HIS  44   2.506  11.092   8.262
  385    QB   HIS  44           QB       HIS  44  -1.647   8.692   7.890
  386    H    ASN  45           H        ASN  45  -3.099   8.945   5.091
  387    HA   ASN  45           HA       ASN  45  -1.379  10.565   3.573
  388   1HB   ASN  45          2HB       ASN  45  -3.317   8.403   2.818
  389   2HB   ASN  45          1HB       ASN  45  -2.443   9.321   1.591
  390   1HD2  ASN  45          1HD2      ASN  45  -1.370   7.416   0.954
  391   2HD2  ASN  45          2HD2      ASN  45  -0.107   6.735   1.923
  392    QB   ASN  45           QB       ASN  45  -2.880   8.862   2.205
  393    QD   ASN  45           QD2      ASN  45  -0.738   7.075   1.439
  394    H    ALA  46           H        ALA  46  -4.896  10.440   3.828
  395    HA   ALA  46           HA       ALA  46  -5.531  12.394   1.940
  396   1HB   ALA  46          3HB       ALA  46  -7.581  12.719   3.253
  397   2HB   ALA  46          1HB       ALA  46  -6.834  11.875   4.607
  398   3HB   ALA  46          2HB       ALA  46  -7.189  10.999   3.121
  399    MB   ALA  46           QB       ALA  46  -7.202  11.864   3.661
  400    H    ARG  47           H        ARG  47  -4.690  12.619   5.329
  401    HA   ARG  47           HA       ARG  47  -4.871  15.395   5.681
  402   1HB   ARG  47          2HB       ARG  47  -4.580  13.548   7.450
  403   2HB   ARG  47          1HB       ARG  47  -2.881  13.610   6.956
  404   1HG   ARG  47          2HG       ARG  47  -2.623  15.833   7.679
  405   2HG   ARG  47          1HG       ARG  47  -4.343  16.006   8.014
  406   1HD   ARG  47          2HD       ARG  47  -4.151  14.281   9.770
  407   2HD   ARG  47          1HD       ARG  47  -2.419  14.178   9.457
  408    HE   ARG  47           HE       ARG  47  -2.666  16.742   9.939
  409   1HH1  ARG  47          1HH1      ARG  47  -4.084  14.006  11.759
  410   2HH1  ARG  47          2HH1      ARG  47  -4.113  14.824  13.238
  411   1HH2  ARG  47          1HH2      ARG  47  -2.711  17.847  12.014
  412   2HH2  ARG  47          2HH2      ARG  47  -3.306  17.054  13.397
  413    QB   ARG  47           QB       ARG  47  -3.731  13.579   7.203
  414    QG   ARG  47           QG       ARG  47  -3.483  15.920   7.847
  415    QD   ARG  47           QD       ARG  47  -3.285  14.230   9.614
  416    QH1  ARG  47           QH1      ARG  47  -4.098  14.415  12.498
  417    QH2  ARG  47           QH2      ARG  47  -3.009  17.451  12.706
  418    H    ALA  48           H        ALA  48  -2.146  13.276   4.789
  419    HA   ALA  48           HA       ALA  48  -0.437  15.475   4.549
  420   1HB   ALA  48          2HB       ALA  48   0.412  13.306   5.201
  421   2HB   ALA  48          3HB       ALA  48   1.245  13.928   3.772
  422   3HB   ALA  48          1HB       ALA  48   0.029  12.655   3.605
  423    MB   ALA  48           QB       ALA  48   0.562  13.297   4.192
  424    H    GLN  49           H        GLN  49  -2.851  14.456   2.552
  425    HA   GLN  49           HA       GLN  49  -3.628  15.080   0.530
  426   1HB   GLN  49          2HB       GLN  49  -1.109  16.727   0.416
  427   2HB   GLN  49          1HB       GLN  49  -2.418  16.867  -0.788
  428   1HG   GLN  49          2HG       GLN  49  -3.550  18.153   0.630
  429   2HG   GLN  49          1HG       GLN  49  -3.207  16.906   1.873
  430   1HE2  GLN  49          1HE2      GLN  49  -1.786  17.285   3.416
  431   2HE2  GLN  49          2HE2      GLN  49  -0.714  18.614   3.539
  432    QB   GLN  49           QB       GLN  49  -1.764  16.797  -0.186
  433    QG   GLN  49           QG       GLN  49  -3.379  17.530   1.252
  434    QE   GLN  49           QE2      GLN  49  -1.250  17.950   3.478
  435    H    LEU  50           H        LEU  50  -1.977  12.895   1.040
  436    HA   LEU  50           HA       LEU  50  -0.618  12.139  -1.396
  437   1HB   LEU  50          2HB       LEU  50  -0.958  11.069   1.342
  438   2HB   LEU  50          1HB       LEU  50  -0.589   9.938   0.064
  439    HG   LEU  50           HG       LEU  50   1.438  10.958  -0.385
  440   1HD1  LEU  50          1HD1      LEU  50   0.835  13.301  -0.146
  441   2HD1  LEU  50          3HD1      LEU  50   0.757  13.113   1.605
  442   3HD1  LEU  50          2HD1      LEU  50   2.294  12.941   0.758
  443   1HD2  LEU  50          3HD2      LEU  50   1.431   9.459   1.498
  444   2HD2  LEU  50          2HD2      LEU  50   2.640  10.726   1.730
  445   3HD2  LEU  50          1HD2      LEU  50   1.103  10.797   2.590
  446    MD1  LEU  50           QD1      LEU  50   1.295  13.118   0.739
  447    MD2  LEU  50           QD2      LEU  50   1.724  10.327   1.939
  448    QB   LEU  50           QB       LEU  50  -0.773  10.503   0.703
  449    QD   LEU  50           QQD      LEU  50   1.510  11.723   1.339
  450    H    THR  51           H        THR  51  -1.297  10.667  -2.809
  451    HA   THR  51           HA       THR  51  -3.928   9.430  -2.521
  452    HB   THR  51           HB       THR  51  -4.156   9.900  -4.989
  453    HG1  THR  51          1HG       THR  51  -2.359  10.630  -5.890
  454   1HG2  THR  51          1HG2      THR  51  -5.143  11.204  -3.213
  455   2HG2  THR  51          3HG2      THR  51  -3.662  12.194  -3.174
  456   3HG2  THR  51          2HG2      THR  51  -4.696  12.229  -4.619
  457    MG   THR  51           QG2      THR  51  -4.500  11.876  -3.669
  458    H    GLY  52           H        GLY  52  -4.107   7.349  -3.783
  459   1HA   GLY  52          1HA       GLY  52  -2.263   5.709  -2.550
  460   2HA   GLY  52          2HA       GLY  52  -1.649   5.980  -4.183
  461    QA   GLY  52           QA       GLY  52  -1.956   5.845  -3.366
  462    H    ALA  53           H        ALA  53  -1.894   3.628  -3.843
  463    HA   ALA  53           HA       ALA  53  -4.467   2.508  -4.074
  464   1HB   ALA  53          2HB       ALA  53  -4.238   3.474  -6.359
  465   2HB   ALA  53          3HB       ALA  53  -4.345   1.707  -6.367
  466   3HB   ALA  53          1HB       ALA  53  -2.789   2.509  -6.580
  467    MB   ALA  53           QB       ALA  53  -3.791   2.563  -6.435
  468    H    LEU  54           H        LEU  54  -4.327   0.146  -4.262
  469    HA   LEU  54           HA       LEU  54  -1.705  -0.981  -4.236
  470   1HB   LEU  54          2HB       LEU  54  -1.674  -1.911  -2.051
  471   2HB   LEU  54          1HB       LEU  54  -2.138  -0.231  -1.923
  472    HG   LEU  54           HG       LEU  54  -4.531  -1.041  -1.603
  473   1HD1  LEU  54          3HD1      LEU  54  -4.237  -3.361  -2.419
  474   2HD1  LEU  54          2HD1      LEU  54  -3.180  -3.704  -1.049
  475   3HD1  LEU  54          1HD1      LEU  54  -4.868  -3.316  -0.778
  476   1HD2  LEU  54          3HD2      LEU  54  -2.416  -1.715   0.429
  477   2HD2  LEU  54          2HD2      LEU  54  -3.201  -0.158   0.199
  478   3HD2  LEU  54          1HD2      LEU  54  -4.132  -1.533   0.792
  479    MD1  LEU  54           QD1      LEU  54  -4.095  -3.460  -1.415
  480    MD2  LEU  54           QD2      LEU  54  -3.249  -1.135   0.473
  481    QB   LEU  54           QB       LEU  54  -1.906  -1.071  -1.987
  482    QD   LEU  54           QQD      LEU  54  -3.672  -2.298  -0.471
  483    H    PHE  55           H        PHE  55  -1.692  -3.176  -4.468
  484    HA   PHE  55           HA       PHE  55  -4.252  -4.411  -5.124
  485   1HB   PHE  55          2HB       PHE  55  -1.743  -4.542  -6.828
  486   2HB   PHE  55          1HB       PHE  55  -3.187  -5.504  -7.096
  487    HD1  PHE  55          1HD       PHE  55  -5.299  -4.379  -7.777
  488    HD2  PHE  55          2HD       PHE  55  -1.592  -2.301  -7.578
  489    HE1  PHE  55          1HE       PHE  55  -6.234  -2.577  -9.167
  490    HE2  PHE  55          2HE       PHE  55  -2.526  -0.494  -8.961
  491    HZ   PHE  55           HZ       PHE  55  -4.851  -0.633  -9.753
  492    QB   PHE  55           QB       PHE  55  -2.465  -5.023  -6.962
  493    QD   PHE  55           QD       PHE  55  -3.445  -3.340  -7.678
  494    QE   PHE  55           QE       PHE  55  -4.380  -1.535  -9.064
  495    QR   PHE  55           QR       PHE  55  -4.100  -2.077  -8.647
  496    H    TYR  56           H        TYR  56  -4.426  -5.889  -3.654
  497    HA   TYR  56           HA       TYR  56  -2.074  -7.388  -2.771
  498   1HB   TYR  56          2HB       TYR  56  -3.585  -6.422  -1.063
  499   2HB   TYR  56          1HB       TYR  56  -4.945  -7.291  -1.717
  500    HD1  TYR  56          1HD       TYR  56  -3.363 -10.029  -1.994
  501    HD2  TYR  56          2HD       TYR  56  -3.750  -7.180   1.120
  502    HE1  TYR  56          1HE       TYR  56  -2.976 -11.813  -0.354
  503    HE2  TYR  56          2HE       TYR  56  -3.349  -8.973   2.796
  504    HH   TYR  56           HH       TYR  56  -2.172 -12.019   1.990
  505    QB   TYR  56           QB       TYR  56  -4.265  -6.856  -1.390
  506    QD   TYR  56           QD       TYR  56  -3.556  -8.604  -0.437
  507    QE   TYR  56           QE       TYR  56  -3.162 -10.393   1.221
  508    QR   TYR  56           QR       TYR  56  -3.359  -9.498   0.392
  509    H    SER  57           H        SER  57  -1.668  -9.086  -4.109
  510    HA   SER  57           HA       SER  57  -4.009 -10.568  -4.965
  511   1HB   SER  57          2HB       SER  57  -2.797 -11.082  -7.081
  512   2HB   SER  57          1HB       SER  57  -3.206  -9.381  -6.887
  513    HG   SER  57           HG       SER  57  -1.058  -8.951  -6.352
  514    QB   SER  57           QB       SER  57  -3.001 -10.231  -6.984
  515    H    GLN  58           H        GLN  58  -3.990 -12.159  -3.569
  516    HA   GLN  58           HA       GLN  58  -3.610 -14.240  -2.799
  517   1HB   GLN  58          2HB       GLN  58  -2.865 -14.728  -5.121
  518   2HB   GLN  58          1HB       GLN  58  -1.226 -14.309  -4.659
  519   1HG   GLN  58          2HG       GLN  58  -1.448 -16.686  -4.676
  520   2HG   GLN  58          1HG       GLN  58  -1.290 -16.146  -3.008
  521   1HE2  GLN  58          1HE2      GLN  58  -3.478 -17.358  -5.402
  522   2HE2  GLN  58          2HE2      GLN  58  -4.698 -17.876  -4.298
  523    QB   GLN  58           QB       GLN  58  -2.045 -14.519  -4.890
  524    QG   GLN  58           QG       GLN  58  -1.369 -16.416  -3.842
  525    QE   GLN  58           QE2      GLN  58  -4.088 -17.617  -4.850
  526    H    GLY  59           H        GLY  59  -0.411 -12.936  -3.317
  527   1HA   GLY  59          1HA       GLY  59   1.176 -13.882  -1.459
  528   2HA   GLY  59          2HA       GLY  59   0.072 -12.977  -0.428
  529    QA   GLY  59           QA       GLY  59   0.624 -13.430  -0.943
  530    H    VAL  60           H        VAL  60   1.170 -12.004  -3.666
  531    HA   VAL  60           HA       VAL  60   2.992 -10.179  -2.502
  532    HB   VAL  60           HB       VAL  60   3.672 -11.040  -4.623
  533   1HG1  VAL  60          2HG1      VAL  60   1.132  -9.883  -5.791
  534   2HG1  VAL  60          1HG1      VAL  60   2.432 -10.624  -6.727
  535   3HG1  VAL  60          3HG1      VAL  60   1.501 -11.597  -5.588
  536   1HG2  VAL  60          2HG2      VAL  60   4.327  -8.747  -4.195
  537   2HG2  VAL  60          1HG2      VAL  60   4.064  -8.998  -5.920
  538   3HG2  VAL  60          3HG2      VAL  60   2.851  -8.162  -4.958
  539    MG1  VAL  60           QG1      VAL  60   1.688 -10.702  -6.036
  540    MG2  VAL  60           QG2      VAL  60   3.747  -8.636  -5.024
  541    QG   VAL  60           QQG      VAL  60   2.718  -9.669  -5.530
  542    H    PHE  61           H        PHE  61   2.665  -8.439  -1.715
  543    HA   PHE  61           HA       PHE  61   0.054  -7.113  -1.915
  544   1HB   PHE  61          2HB       PHE  61   1.267  -8.121   0.080
  545   2HB   PHE  61          1HB       PHE  61   2.360  -6.778  -0.067
  546    HD1  PHE  61          1HD       PHE  61   1.717  -6.835   2.311
  547    HD2  PHE  61          2HD       PHE  61  -0.976  -5.686  -0.758
  548    HE1  PHE  61          1HE       PHE  61   0.372  -5.807   3.970
  549    HE2  PHE  61          2HE       PHE  61  -2.401  -4.572   0.945
  550    HZ   PHE  61           HZ       PHE  61  -1.701  -4.651   3.328
  551    QB   PHE  61           QB       PHE  61   1.813  -7.449   0.007
  552    QD   PHE  61           QD       PHE  61   0.370  -6.261   0.776
  553    QE   PHE  61           QE       PHE  61  -1.015  -5.190   2.458
  554    QR   PHE  61           QR       PHE  61  -0.598  -5.510   1.959
  555    H    PHE  62           H        PHE  62   0.277  -5.497  -3.568
  556    HA   PHE  62           HA       PHE  62   2.817  -4.010  -3.572
  557   1HB   PHE  62          2HB       PHE  62   2.261  -5.196  -5.701
  558   2HB   PHE  62          1HB       PHE  62   0.783  -4.238  -5.809
  559    HD1  PHE  62          1HD       PHE  62   4.460  -4.072  -5.865
  560    HD2  PHE  62          2HD       PHE  62   0.818  -2.025  -6.671
  561    HE1  PHE  62          1HE       PHE  62   5.713  -2.308  -7.032
  562    HE2  PHE  62          2HE       PHE  62   2.070  -0.268  -7.842
  563    HZ   PHE  62           HZ       PHE  62   4.517  -0.414  -8.024
  564    QB   PHE  62           QB       PHE  62   1.522  -4.717  -5.755
  565    QD   PHE  62           QD       PHE  62   2.639  -3.048  -6.268
  566    QE   PHE  62           QE       PHE  62   3.892  -1.288  -7.437
  567    QR   PHE  62           QR       PHE  62   3.516  -1.817  -7.087
  568    H    GLN  63           H        GLN  63   2.742  -1.947  -2.972
  569    HA   GLN  63           HA       GLN  63   0.163  -0.524  -2.955
  570   1HB   GLN  63          2HB       GLN  63   0.844  -1.707  -0.702
  571   2HB   GLN  63          1HB       GLN  63   2.059  -0.460  -0.602
  572   1HG   GLN  63          2HG       GLN  63  -0.949  -0.033  -0.563
  573   2HG   GLN  63          1HG       GLN  63   0.133   0.006   0.786
  574   1HE2  GLN  63          1HE2      GLN  63   2.192   1.599  -0.480
  575   2HE2  GLN  63          2HE2      GLN  63   1.500   3.180  -0.644
  576    QB   GLN  63           QB       GLN  63   1.451  -1.084  -0.652
  577    QG   GLN  63           QG       GLN  63  -0.408  -0.014   0.112
  578    QE   GLN  63           QE2      GLN  63   1.846   2.390  -0.562
  579    H    TRP  64           H        TRP  64   0.556   1.561  -3.756
  580    HA   TRP  64           HA       TRP  64   3.147   2.625  -3.160
  581   1HB   TRP  64          2HB       TRP  64   3.723   3.318  -5.329
  582   2HB   TRP  64          1HB       TRP  64   3.272   1.611  -5.498
  583    HD1  TRP  64           HD       TRP  64   3.176   4.753  -7.135
  584    HE1  TRP  64          1HE       TRP  64   1.356   4.873  -8.916
  585    HE3  TRP  64          3HE       TRP  64   0.362   0.766  -5.666
  586    HZ2  TRP  64          2HZ       TRP  64  -0.961   3.503  -9.593
  587    HZ3  TRP  64          3HZ       TRP  64  -1.705   0.283  -6.928
  588    HH2  TRP  64           HH       TRP  64  -2.316   1.602  -8.874
  589    QB   TRP  64           QB       TRP  64   3.497   2.464  -5.414
  590    H    LEU  65           H        LEU  65   3.172   4.940  -3.195
  591    HA   LEU  65           HA       LEU  65   0.516   6.143  -3.332
  592   1HB   LEU  65          2HB       LEU  65   1.021   7.491  -1.318
  593   2HB   LEU  65          1HB       LEU  65   0.782   5.791  -0.992
  594    HG   LEU  65           HG       LEU  65   3.551   6.743  -1.376
  595   1HD1  LEU  65          2HD1      LEU  65   1.894   7.156   1.128
  596   2HD1  LEU  65          1HD1      LEU  65   3.648   7.354   1.032
  597   3HD1  LEU  65          3HD1      LEU  65   2.592   8.420   0.110
  598   1HD2  LEU  65          1HD2      LEU  65   3.107   4.378  -1.001
  599   2HD2  LEU  65          3HD2      LEU  65   3.999   5.060   0.356
  600   3HD2  LEU  65          2HD2      LEU  65   2.269   4.759   0.505
  601    MD1  LEU  65           QD1      LEU  65   2.711   7.643   0.757
  602    MD2  LEU  65           QD2      LEU  65   3.125   4.732  -0.047
  603    QB   LEU  65           QB       LEU  65   0.901   6.641  -1.155
  604    QD   LEU  65           QQD      LEU  65   2.918   6.188   0.355
  605    H    GLU  66           H        GLU  66   0.409   8.155  -4.043
  606    HA   GLU  66           HA       GLU  66   2.902   9.386  -4.905
  607   1HB   GLU  66          2HB       GLU  66   1.317  10.648  -6.505
  608   2HB   GLU  66          1HB       GLU  66   1.671   8.970  -6.870
  609   1HG   GLU  66          2HG       GLU  66  -0.468   8.276  -6.253
  610   2HG   GLU  66          1HG       GLU  66  -0.778   9.749  -5.348
  611    QB   GLU  66           QB       GLU  66   1.494   9.809  -6.688
  612    QG   GLU  66           QG       GLU  66  -0.623   9.012  -5.800
  613    H    GLY  67           H        GLY  67   3.447  11.220  -3.923
  614   1HA   GLY  67          1HA       GLY  67   2.329  12.059  -1.615
  615   2HA   GLY  67          2HA       GLY  67   1.512  13.011  -2.844
  616    QA   GLY  67           QA       GLY  67   1.920  12.535  -2.229
  617    H    HIS  68           H        HIS  68   2.905  14.661  -1.347
  618    HA   HIS  68           HA       HIS  68   5.283  15.472  -2.713
  619   1HB   HIS  68          2HB       HIS  68   3.982  17.154  -1.568
  620   2HB   HIS  68          1HB       HIS  68   4.089  16.312  -0.048
  621    HD1  HIS  68          1HD       HIS  68   6.087  16.723   1.426
  622    HD2  HIS  68          2HD       HIS  68   6.098  18.459  -2.263
  623    HE1  HIS  68          1HE       HIS  68   8.066  18.167   1.521
  624    HE2  HIS  68          2HE       HIS  68   8.103  19.364  -0.738
  625    QB   HIS  68           QB       HIS  68   4.036  16.733  -0.808
  626    HA   PRO  69           HA       PRO  69   8.407  12.539  -1.549
  627   1HB   PRO  69          2HB       PRO  69  10.248  14.560  -0.701
  628   2HB   PRO  69          1HB       PRO  69  10.260  13.611  -2.180
  629   1HG   PRO  69          2HG       PRO  69   9.181  16.318  -1.700
  630   2HG   PRO  69          1HG       PRO  69   9.726  15.579  -3.214
  631   1HD   PRO  69          2HD       PRO  69   7.174  16.042  -2.763
  632   2HD   PRO  69          1HD       PRO  69   7.670  14.545  -3.578
  633    QB   PRO  69           QB       PRO  69  10.254  14.085  -1.441
  634    QG   PRO  69           QG       PRO  69   9.453  15.948  -2.457
  635    QD   PRO  69           QD       PRO  69   7.422  15.294  -3.171
  636    H    ALA  70           H        ALA  70   8.486  15.186   0.849
  637    HA   ALA  70           HA       ALA  70   9.464  13.360   2.763
  638   1HB   ALA  70          3HB       ALA  70  10.037  15.665   2.976
  639   2HB   ALA  70          1HB       ALA  70   9.171  15.066   4.397
  640   3HB   ALA  70          2HB       ALA  70   8.314  16.077   3.184
  641    MB   ALA  70           QB       ALA  70   9.174  15.603   3.519
  642    H    ALA  71           H        ALA  71   6.296  14.226   1.959
  643    HA   ALA  71           HA       ALA  71   5.089  13.259   4.300
  644   1HB   ALA  71          3HB       ALA  71   4.238  13.168   1.498
  645   2HB   ALA  71          2HB       ALA  71   3.141  12.972   2.873
  646   3HB   ALA  71          1HB       ALA  71   3.942  14.555   2.569
  647    MB   ALA  71           QB       ALA  71   3.774  13.565   2.313
  648    H    VAL  72           H        VAL  72   5.954  11.975   1.233
  649    HA   VAL  72           HA       VAL  72   5.052   9.327   1.378
  650    HB   VAL  72           HB       VAL  72   7.656  10.029   0.063
  651   1HG1  VAL  72          2HG1      VAL  72   5.338   8.414  -0.710
  652   2HG1  VAL  72          1HG1      VAL  72   6.822   8.593  -1.686
  653   3HG1  VAL  72          3HG1      VAL  72   6.881   7.764  -0.108
  654   1HG2  VAL  72          3HG2      VAL  72   4.965  10.865  -0.938
  655   2HG2  VAL  72          2HG2      VAL  72   6.365  11.870  -0.460
  656   3HG2  VAL  72          1HG2      VAL  72   6.472  10.840  -1.894
  657    MG1  VAL  72           QG1      VAL  72   6.347   8.257  -0.835
  658    MG2  VAL  72           QG2      VAL  72   5.934  11.192  -1.097
  659    QG   VAL  72           QQG      VAL  72   6.141   9.724  -0.966
  660    H    ALA  73           H        ALA  73   8.133  10.816   2.183
  661    HA   ALA  73           HA       ALA  73   9.342   8.452   3.053
  662   1HB   ALA  73          2HB       ALA  73  10.043  11.280   3.637
  663   2HB   ALA  73          1HB       ALA  73  10.941   9.751   4.075
  664   3HB   ALA  73          3HB       ALA  73  10.707  10.180   2.376
  665    MB   ALA  73           QB       ALA  73  10.564  10.404   3.363
  666    H    GLU  74           H        GLU  74   7.666  10.993   4.806
  667    HA   GLU  74           HA       GLU  74   8.162   9.996   7.431
  668   1HB   GLU  74          2HB       GLU  74   7.172  12.277   6.648
  669   2HB   GLU  74          1HB       GLU  74   5.655  11.425   6.481
  670   1HG   GLU  74          2HG       GLU  74   7.161  11.616   9.077
  671   2HG   GLU  74          1HG       GLU  74   5.954  12.784   8.572
  672    QB   GLU  74           QB       GLU  74   6.414  11.851   6.564
  673    QG   GLU  74           QG       GLU  74   6.557  12.200   8.825
  674    H    VAL  75           H        VAL  75   5.627   9.417   5.079
  675    HA   VAL  75           HA       VAL  75   4.306   7.369   6.409
  676    HB   VAL  75           HB       VAL  75   4.619   8.073   3.488
  677   1HG1  VAL  75          2HG1      VAL  75   2.965   5.803   4.584
  678   2HG1  VAL  75          1HG1      VAL  75   2.941   6.421   2.924
  679   3HG1  VAL  75          3HG1      VAL  75   4.405   5.672   3.558
  680   1HG2  VAL  75          1HG2      VAL  75   3.217   9.496   4.873
  681   2HG2  VAL  75          3HG2      VAL  75   2.253   8.625   3.683
  682   3HG2  VAL  75          2HG2      VAL  75   2.266   8.095   5.367
  683    MG1  VAL  75           QG1      VAL  75   3.437   5.965   3.689
  684    MG2  VAL  75           QG2      VAL  75   2.579   8.739   4.641
  685    QG   VAL  75           QQG      VAL  75   3.008   7.352   4.165
  686    H    MET  76           H        MET  76   7.104   7.161   4.112
  687    HA   MET  76           HA       MET  76   7.535   4.473   4.249
  688   1HB   MET  76          2HB       MET  76   9.562   6.691   4.066
  689   2HB   MET  76          1HB       MET  76   9.937   5.030   3.725
  690   1HG   MET  76          2HG       MET  76   7.826   6.475   2.319
  691   2HG   MET  76          1HG       MET  76   9.496   6.625   1.746
  692   1HE   MET  76          3HE       MET  76   6.361   4.698   2.288
  693   2HE   MET  76          2HE       MET  76   6.484   3.207   1.320
  694   3HE   MET  76          1HE       MET  76   7.325   3.350   2.880
  695    QB   MET  76           QB       MET  76   9.749   5.861   3.895
  696    QG   MET  76           QG       MET  76   8.661   6.550   2.032
  697    ME   MET  76           QE       MET  76   6.723   3.752   2.163
  698    H    SER  77           H        SER  77   8.880   6.926   6.379
  699    HA   SER  77           HA       SER  77  10.244   5.196   8.079
  700   1HB   SER  77          2HB       SER  77   8.865   7.799   8.787
  701   2HB   SER  77          1HB       SER  77  10.157   7.043   9.727
  702    HG   SER  77           HG       SER  77  10.304   8.065   7.077
  703    QB   SER  77           QB       SER  77   9.511   7.421   9.257
  704    H    HIS  78           H        HIS  78   6.839   6.122   8.222
  705    HA   HIS  78           HA       HIS  78   6.052   4.554  10.473
  706   1HB   HIS  78          2HB       HIS  78   4.594   5.227   7.917
  707   2HB   HIS  78          1HB       HIS  78   3.861   4.164   9.083
  708    HD1  HIS  78          1HD       HIS  78   2.516   5.233  10.816
  709    HD2  HIS  78          2HD       HIS  78   5.013   7.905   8.901
  710    HE1  HIS  78          1HE       HIS  78   1.755   7.519  11.561
  711    HE2  HIS  78          2HE       HIS  78   3.522   9.061  10.588
  712    QB   HIS  78           QB       HIS  78   4.228   4.695   8.500
  713    H    ILE  79           H        ILE  79   6.021   3.814   7.114
  714    HA   ILE  79           HA       ILE  79   5.011   1.240   7.250
  715    HB   ILE  79           HB       ILE  79   5.992   3.107   5.270
  716   1HG1  ILE  79          2HG1      ILE  79   3.513   1.425   5.495
  717   2HG1  ILE  79          1HG1      ILE  79   3.695   3.123   5.915
  718   1HG2  ILE  79          1HG2      ILE  79   6.046   0.239   4.707
  719   2HG2  ILE  79          3HG2      ILE  79   5.630   1.389   3.436
  720   3HG2  ILE  79          2HG2      ILE  79   7.189   1.515   4.257
  721   1HD1  ILE  79          1HD1      ILE  79   4.143   3.604   3.546
  722   2HD1  ILE  79          3HD1      ILE  79   3.840   1.900   3.185
  723   3HD1  ILE  79          2HD1      ILE  79   2.550   2.920   3.847
  724    MG   ILE  79           QG2      ILE  79   6.289   1.048   4.133
  725    MD   ILE  79           QD1      ILE  79   3.511   2.808   3.526
  726    QG   ILE  79           QG1      ILE  79   3.604   2.274   5.705
  727    H    GLN  80           H        GLN  80   8.371   2.208   6.562
  728    HA   GLN  80           HA       GLN  80   9.352  -0.327   6.147
  729   1HB   GLN  80          2HB       GLN  80  10.720   2.227   6.942
  730   2HB   GLN  80          1HB       GLN  80  11.541   0.780   6.366
  731   1HG   GLN  80          2HG       GLN  80   9.499   2.362   4.717
  732   2HG   GLN  80          1HG       GLN  80  11.204   2.378   4.525
  733   1HE2  GLN  80          1HE2      GLN  80   8.517   0.373   4.317
  734   2HE2  GLN  80          2HE2      GLN  80   9.372  -0.719   3.256
  735    QB   GLN  80           QB       GLN  80  11.131   1.504   6.654
  736    QG   GLN  80           QG       GLN  80  10.352   2.370   4.621
  737    QE   GLN  80           QE2      GLN  80   8.945  -0.173   3.787
  738    H    ARG  81           H        ARG  81   8.565   1.114   9.186
  739    HA   ARG  81           HA       ARG  81  10.317  -0.779  10.579
  740   1HB   ARG  81          2HB       ARG  81   8.416   1.277  11.701
  741   2HB   ARG  81          1HB       ARG  81   9.624   0.350  12.576
  742   1HG   ARG  81          2HG       ARG  81  11.378   1.439  11.473
  743   2HG   ARG  81          1HG       ARG  81  10.254   2.360  10.446
  744   1HD   ARG  81          2HD       ARG  81  10.589   2.494  13.434
  745   2HD   ARG  81          1HD       ARG  81  10.928   3.765  12.243
  746    HE   ARG  81           HE       ARG  81   8.504   3.667  11.745
  747   1HH1  ARG  81          1HH1      ARG  81   9.786   3.058  15.002
  748   2HH1  ARG  81          2HH1      ARG  81   8.289   3.294  15.783
  749   1HH2  ARG  81          1HH2      ARG  81   6.386   3.992  12.926
  750   2HH2  ARG  81          2HH2      ARG  81   6.380   3.829  14.611
  751    QB   ARG  81           QB       ARG  81   9.020   0.813  12.139
  752    QG   ARG  81           QG       ARG  81  10.816   1.899  10.960
  753    QD   ARG  81           QD       ARG  81  10.758   3.130  12.839
  754    QH1  ARG  81           QH1      ARG  81   9.038   3.176  15.392
  755    QH2  ARG  81           QH2      ARG  81   6.383   3.911  13.768
  756    H    ASP  82           H        ASP  82   7.800  -1.444   9.001
  757    HA   ASP  82           HA       ASP  82   5.944  -2.353  11.040
  758   1HB   ASP  82          2HB       ASP  82   5.247  -1.437   8.677
  759   2HB   ASP  82          1HB       ASP  82   5.807  -2.980   8.123
  760    QB   ASP  82           QB       ASP  82   5.527  -2.208   8.400
  761    H    ARG  83           H        ARG  83   5.267  -4.729   9.233
  762    HA   ARG  83           HA       ARG  83   7.181  -6.756   9.839
  763   1HB   ARG  83          2HB       ARG  83   5.670  -7.709  11.714
  764   2HB   ARG  83          1HB       ARG  83   6.733  -6.362  12.111
  765   1HG   ARG  83          2HG       ARG  83   4.862  -4.790  11.813
  766   2HG   ARG  83          1HG       ARG  83   3.812  -6.130  11.419
  767   1HD   ARG  83          2HD       ARG  83   3.930  -7.014  13.627
  768   2HD   ARG  83          1HD       ARG  83   5.239  -5.916  14.063
  769    HE   ARG  83           HE       ARG  83   3.662  -4.084  13.806
  770   1HH1  ARG  83          1HH1      ARG  83   2.195  -7.288  14.233
  771   2HH1  ARG  83          2HH1      ARG  83   0.775  -6.679  14.937
  772   1HH2  ARG  83          1HH2      ARG  83   1.713  -3.271  14.757
  773   2HH2  ARG  83          2HH2      ARG  83   0.493  -4.352  15.253
  774    QB   ARG  83           QB       ARG  83   6.202  -7.035  11.913
  775    QG   ARG  83           QG       ARG  83   4.337  -5.460  11.616
  776    QD   ARG  83           QD       ARG  83   4.584  -6.465  13.845
  777    QH1  ARG  83           QH1      ARG  83   1.485  -6.983  14.585
  778    QH2  ARG  83           QH2      ARG  83   1.103  -3.811  15.005
  779    H    ARG  84           H        ARG  84   3.752  -5.828   9.407
  780    HA   ARG  84           HA       ARG  84   3.243  -8.473   8.487
  781   1HB   ARG  84          2HB       ARG  84   0.751  -7.755   8.633
  782   2HB   ARG  84          1HB       ARG  84   1.664  -8.228  10.041
  783   1HG   ARG  84          2HG       ARG  84   0.260  -6.338  10.566
  784   2HG   ARG  84          1HG       ARG  84   1.941  -5.851  10.639
  785   1HD   ARG  84          2HD       ARG  84   1.689  -4.365   8.964
  786   2HD   ARG  84          1HD       ARG  84   0.605  -5.418   8.053
  787    HE   ARG  84           HE       ARG  84  -1.118  -4.831   9.662
  788   1HH1  ARG  84          1HH1      ARG  84   1.614  -2.494   9.648
  789   2HH1  ARG  84          2HH1      ARG  84   0.600  -1.167   9.861
  790   1HH2  ARG  84          1HH2      ARG  84  -2.391  -3.052   9.939
  791   2HH2  ARG  84          2HH2      ARG  84  -1.762  -1.445  10.072
  792    QB   ARG  84           QB       ARG  84   1.208  -7.991   9.337
  793    QG   ARG  84           QG       ARG  84   1.101  -6.094  10.603
  794    QD   ARG  84           QD       ARG  84   1.147  -4.891   8.508
  795    QH1  ARG  84           QH1      ARG  84   1.107  -1.830   9.755
  796    QH2  ARG  84           QH2      ARG  84  -2.077  -2.249  10.005
  797    H    HIS  85           H        HIS  85   3.494  -5.514   7.096
  798    HA   HIS  85           HA       HIS  85   2.757  -6.883   4.642
  799   1HB   HIS  85          2HB       HIS  85   3.363  -4.862   3.313
  800   2HB   HIS  85          1HB       HIS  85   1.967  -4.638   4.320
  801    HD1  HIS  85          1HD       HIS  85   3.048  -2.112   3.365
  802    HD2  HIS  85          2HD       HIS  85   4.693  -3.862   6.765
  803    HE1  HIS  85          1HE       HIS  85   4.271  -0.378   4.579
  804    HE2  HIS  85          2HE       HIS  85   5.262  -1.446   6.556
  805    QB   HIS  85           QB       HIS  85   2.665  -4.750   3.817
  806    H    SER  86           H        SER  86   3.951  -8.276   4.451
  807    HA   SER  86           HA       SER  86   5.845  -9.048   5.812
  808   1HB   SER  86          2HB       SER  86   4.753 -10.123   3.844
  809   2HB   SER  86          1HB       SER  86   6.151  -9.677   2.951
  810    HG   SER  86           HG       SER  86   6.612 -10.947   5.403
  811    QB   SER  86           QB       SER  86   5.452  -9.900   3.398
  812    H    ASN  87           H        ASN  87   7.092  -7.472   3.092
  813    HA   ASN  87           HA       ASN  87   9.528  -7.071   4.684
  814   1HB   ASN  87          2HB       ASN  87   9.648  -7.189   1.685
  815   2HB   ASN  87          1HB       ASN  87  11.006  -7.191   2.789
  816   1HD2  ASN  87          1HD2      ASN  87  10.322  -8.915   0.650
  817   2HD2  ASN  87          2HD2      ASN  87  10.211 -10.513   1.298
  818    QB   ASN  87           QB       ASN  87  10.327  -7.190   2.237
  819    QD   ASN  87           QD2      ASN  87  10.266  -9.714   0.974
  820    H    VAL  88           H        VAL  88   7.253  -5.594   3.094
  821    HA   VAL  88           HA       VAL  88   7.196  -3.975   1.580
  822    HB   VAL  88           HB       VAL  88   6.125  -3.259   3.430
  823   1HG1  VAL  88          3HG1      VAL  88   7.700  -3.428   5.151
  824   2HG1  VAL  88          2HG1      VAL  88   8.561  -1.944   4.534
  825   3HG1  VAL  88          1HG1      VAL  88   6.867  -1.848   5.068
  826   1HG2  VAL  88          2HG2      VAL  88   6.431  -1.620   1.578
  827   2HG2  VAL  88          1HG2      VAL  88   6.036  -0.906   3.150
  828   3HG2  VAL  88          3HG2      VAL  88   7.671  -0.846   2.562
  829    MG1  VAL  88           QG1      VAL  88   7.710  -2.406   4.918
  830    MG2  VAL  88           QG2      VAL  88   6.713  -1.124   2.430
  831    QG   VAL  88           QQG      VAL  88   7.211  -1.765   3.674
  832    H    GLU  89           H        GLU  89   8.755  -4.566   0.287
  833    HA   GLU  89           HA       GLU  89  11.190  -3.034   0.299
  834   1HB   GLU  89          2HB       GLU  89  10.000  -5.043  -1.538
  835   2HB   GLU  89          1HB       GLU  89  11.536  -4.263  -1.876
  836   1HG   GLU  89          2HG       GLU  89  12.567  -5.243  -0.057
  837   2HG   GLU  89          1HG       GLU  89  11.019  -5.665   0.667
  838    QB   GLU  89           QB       GLU  89  10.768  -4.653  -1.707
  839    QG   GLU  89           QG       GLU  89  11.793  -5.454   0.305
  840    H    ILE  90           H        ILE  90  10.290  -1.020   0.126
  841    HA   ILE  90           HA       ILE  90   8.843   0.144  -1.986
  842    HB   ILE  90           HB       ILE  90  11.403   1.447  -1.133
  843   1HG1  ILE  90          2HG1      ILE  90  10.672   0.569   0.971
  844   2HG1  ILE  90          1HG1      ILE  90  10.395   2.300   0.940
  845   1HG2  ILE  90          2HG2      ILE  90   8.613   2.542  -1.428
  846   2HG2  ILE  90          1HG2      ILE  90  10.012   3.482  -1.015
  847   3HG2  ILE  90          3HG2      ILE  90   9.923   2.736  -2.615
  848   1HD1  ILE  90          1HD1      ILE  90   8.067   1.914   0.440
  849   2HD1  ILE  90          3HD1      ILE  90   8.351   0.175   0.498
  850   3HD1  ILE  90          2HD1      ILE  90   8.553   1.154   1.964
  851    MG   ILE  90           QG2      ILE  90   9.516   2.920  -1.686
  852    MD   ILE  90           QD1      ILE  90   8.324   1.081   0.967
  853    QG   ILE  90           QG1      ILE  90  10.533   1.434   0.955
  854    H    LEU  91           H        LEU  91  12.167   0.277  -1.982
  855    HA   LEU  91           HA       LEU  91  13.765   0.068  -3.525
  856   1HB   LEU  91          2HB       LEU  91  12.011  -2.147  -4.548
  857   2HB   LEU  91          1HB       LEU  91  13.669  -1.891  -5.042
  858    HG   LEU  91           HG       LEU  91  12.733  -2.648  -2.254
  859   1HD1  LEU  91          2HD1      LEU  91  12.673  -4.450  -3.863
  860   2HD1  LEU  91          1HD1      LEU  91  14.351  -4.140  -4.296
  861   3HD1  LEU  91          3HD1      LEU  91  13.950  -4.691  -2.668
  862   1HD2  LEU  91          3HD2      LEU  91  15.522  -2.095  -3.282
  863   2HD2  LEU  91          2HD2      LEU  91  14.640  -1.143  -2.092
  864   3HD2  LEU  91          1HD2      LEU  91  15.126  -2.792  -1.708
  865    MD1  LEU  91           QD1      LEU  91  13.658  -4.427  -3.609
  866    MD2  LEU  91           QD2      LEU  91  15.096  -2.010  -2.361
  867    QB   LEU  91           QB       LEU  91  12.840  -2.019  -4.795
  868    QD   LEU  91           QQD      LEU  91  14.377  -3.218  -2.985
  869    H    ALA  92           H        ALA  92  10.790   1.171  -4.534
  870    HA   ALA  92           HA       ALA  92  12.074   2.344  -6.900
  871   1HB   ALA  92          3HB       ALA  92  10.542   0.685  -7.781
  872   2HB   ALA  92          1HB       ALA  92   9.877   2.300  -8.051
  873   3HB   ALA  92          2HB       ALA  92   9.253   1.298  -6.743
  874    MB   ALA  92           QB       ALA  92   9.890   1.427  -7.525
  875    H    GLU  93           H        GLU  93  12.242   4.387  -6.437
  876    HA   GLU  93           HA       GLU  93   9.938   5.767  -5.253
  877   1HB   GLU  93          2HB       GLU  93  12.856   6.403  -4.628
  878   2HB   GLU  93          1HB       GLU  93  11.393   7.065  -3.897
  879   1HG   GLU  93          2HG       GLU  93  10.943   5.244  -2.679
  880   2HG   GLU  93          1HG       GLU  93  11.967   4.182  -3.651
  881    QB   GLU  93           QB       GLU  93  12.124   6.734  -4.262
  882    QG   GLU  93           QG       GLU  93  11.455   4.713  -3.165
  883    H    GLU  94           H        GLU  94   9.262   7.004  -6.903
  884    HA   GLU  94           HA       GLU  94  11.315   8.284  -8.547
  885   1HB   GLU  94          2HB       GLU  94   9.668   8.190 -10.455
  886   2HB   GLU  94          1HB       GLU  94  10.366   6.655  -9.984
  887   1HG   GLU  94          2HG       GLU  94   8.336   6.039  -8.833
  888   2HG   GLU  94          1HG       GLU  94   7.641   7.630  -9.149
  889    QB   GLU  94           QB       GLU  94  10.017   7.423 -10.219
  890    QG   GLU  94           QG       GLU  94   7.988   6.834  -8.991
  891    H    SER  95           H        SER  95  11.001  10.362  -9.172
  892    HA   SER  95           HA       SER  95   9.215  11.868  -7.527
  893   1HB   SER  95          2HB       SER  95  11.463  12.696  -7.907
  894   2HB   SER  95          1HB       SER  95  11.190  12.730  -9.654
  895    HG   SER  95           HG       SER  95   9.548  14.221  -7.876
  896    QB   SER  95           QB       SER  95  11.326  12.713  -8.781
  897    H    ILE  96           H        ILE  96   7.381  12.690  -8.158
  898    HA   ILE  96           HA       ILE  96   6.494  12.253 -10.963
  899    HB   ILE  96           HB       ILE  96   4.353  11.728 -10.157
  900   1HG1  ILE  96          2HG1      ILE  96   5.594  11.284  -7.466
  901   2HG1  ILE  96          1HG1      ILE  96   4.817  12.800  -7.888
  902   1HG2  ILE  96          3HG2      ILE  96   6.602   9.950  -9.201
  903   2HG2  ILE  96          2HG2      ILE  96   4.942   9.397  -9.445
  904   3HG2  ILE  96          1HG2      ILE  96   5.898   9.981 -10.815
  905   1HD1  ILE  96          2HD1      ILE  96   3.364  10.231  -8.154
  906   2HD1  ILE  96          1HD1      ILE  96   3.512  11.135  -6.609
  907   3HD1  ILE  96          3HD1      ILE  96   2.832  11.920  -8.001
  908    MG   ILE  96           QG2      ILE  96   5.814   9.776  -9.820
  909    MD   ILE  96           QD1      ILE  96   3.236  11.096  -7.588
  910    QG   ILE  96           QG1      ILE  96   5.206  12.042  -7.677
  911    H    ALA  97           H        ALA  97   4.381  13.241 -11.397
  912    HA   ALA  97           HA       ALA  97   4.261  15.897 -10.236
  913   1HB   ALA  97          1HB       ALA  97   4.406  15.821 -12.661
  914   2HB   ALA  97          2HB       ALA  97   2.814  16.448 -12.071
  915   3HB   ALA  97          3HB       ALA  97   2.961  14.778 -12.628
  916    MB   ALA  97           QB       ALA  97   3.394  15.682 -12.453
  917    H    LYS  98           H        LYS  98   3.158  13.183  -9.782
  918    HA   LYS  98           HA       LYS  98   1.319  12.109  -8.960
  919   1HB   LYS  98          2HB       LYS  98   2.197  13.764  -7.435
  920   2HB   LYS  98          1HB       LYS  98   0.915  14.834  -7.939
  921   1HG   LYS  98          2HG       LYS  98   0.077  12.213  -7.104
  922   2HG   LYS  98          1HG       LYS  98   1.054  13.115  -5.956
  923   1HD   LYS  98          2HD       LYS  98  -0.768  14.905  -6.980
  924   2HD   LYS  98          1HD       LYS  98  -1.702  13.478  -6.421
  925   1HE   LYS  98          2HE       LYS  98  -0.274  13.520  -4.494
  926   2HE   LYS  98          1HE       LYS  98   0.335  15.090  -5.061
  927   1HZ   LYS  98          3HZ       LYS  98  -2.551  14.569  -4.511
  928   2HZ   LYS  98          2HZ       LYS  98  -1.587  15.273  -3.345
  929   3HZ   LYS  98          1HZ       LYS  98  -1.865  16.065  -4.836
  930    QB   LYS  98           QB       LYS  98   1.556  14.299  -7.687
  931    QD   LYS  98           QD       LYS  98  -1.235  14.192  -6.700
  932    QG   LYS  98           QG       LYS  98   0.565  12.664  -6.530
  933    QE   LYS  98           QE       LYS  98   0.030  14.305  -4.777
  934    QZ   LYS  98           QZ       LYS  98  -2.001  15.302  -4.230
  935    H    ARG  99           H        ARG  99  -1.140  12.832  -8.456
  936    HA   ARG  99           HA       ARG  99  -3.211  13.280  -9.232
  937   1HB   ARG  99          2HB       ARG  99  -1.756  14.665 -11.492
  938   2HB   ARG  99          1HB       ARG  99  -3.514  14.526 -11.466
  939   1HG   ARG  99          2HG       ARG  99  -1.780  15.948  -9.445
  940   2HG   ARG  99          1HG       ARG  99  -2.775  16.706 -10.686
  941   1HD   ARG  99          2HD       ARG  99  -3.755  15.060  -8.348
  942   2HD   ARG  99          1HD       ARG  99  -3.900  16.800  -8.540
  943    HE   ARG  99           HE       ARG  99  -5.201  14.976 -10.454
  944   1HH1  ARG  99          1HH1      ARG  99  -5.476  17.670  -8.113
  945   2HH1  ARG  99          2HH1      ARG  99  -7.130  17.860  -8.374
  946   1HH2  ARG  99          1HH2      ARG  99  -7.463  15.290 -10.778
  947   2HH2  ARG  99          2HH2      ARG  99  -8.279  16.525  -9.945
  948    QB   ARG  99           QB       ARG  99  -2.635  14.596 -11.479
  949    QG   ARG  99           QG       ARG  99  -2.278  16.327 -10.066
  950    QD   ARG  99           QD       ARG  99  -3.828  15.930  -8.444
  951    QH1  ARG  99           QH1      ARG  99  -6.303  17.765  -8.243
  952    QH2  ARG  99           QH2      ARG  99  -7.871  15.908 -10.362
  953    H    ARG 100           H        ARG 100  -1.691  10.923  -9.628
  954    HA   ARG 100           HA       ARG 100  -2.706   9.976 -12.143
  955   1HB   ARG 100          2HB       ARG 100  -1.012   8.618 -10.048
  956   2HB   ARG 100          1HB       ARG 100  -1.437   7.933 -11.620
  957   1HG   ARG 100          2HG       ARG 100  -0.317   9.744 -12.752
  958   2HG   ARG 100          1HG       ARG 100   0.024  10.509 -11.198
  959   1HD   ARG 100          2HD       ARG 100   1.487   8.619 -10.608
  960   2HD   ARG 100          1HD       ARG 100   1.079   7.823 -12.134
  961    HE   ARG 100           HE       ARG 100   2.010  10.328 -12.774
  962   1HH1  ARG 100          1HH1      ARG 100   3.437   7.395 -11.307
  963   2HH1  ARG 100          2HH1      ARG 100   5.013   7.768 -11.806
  964   1HH2  ARG 100          1HH2      ARG 100   4.170  10.811 -13.445
  965   2HH2  ARG 100          2HH2      ARG 100   5.450   9.765 -13.062
  966    QB   ARG 100           QB       ARG 100  -1.225   8.276 -10.834
  967    QG   ARG 100           QG       ARG 100  -0.147  10.126 -11.975
  968    QD   ARG 100           QD       ARG 100   1.283   8.221 -11.371
  969    QH1  ARG 100           QH1      ARG 100   4.225   7.582 -11.557
  970    QH2  ARG 100           QH2      ARG 100   4.810  10.288 -13.253
  971    H    PHE 101           H        PHE 101  -3.166   9.242  -8.623
  972    HA   PHE 101           HA       PHE 101  -5.545   7.914  -9.585
  973   1HB   PHE 101          2HB       PHE 101  -3.802   7.238  -7.262
  974   2HB   PHE 101          1HB       PHE 101  -5.500   6.758  -7.240
  975    HD1  PHE 101          1HD       PHE 101  -6.157   4.799  -8.255
  976    HD2  PHE 101          2HD       PHE 101  -2.437   6.531  -9.405
  977    HE1  PHE 101          1HE       PHE 101  -5.688   2.867  -9.673
  978    HE2  PHE 101          2HE       PHE 101  -1.988   4.618 -10.823
  979    HZ   PHE 101           HZ       PHE 101  -3.598   2.768 -10.964
  980    QB   PHE 101           QB       PHE 101  -4.651   6.998  -7.251
  981    QD   PHE 101           QD       PHE 101  -4.297   5.665  -8.830
  982    QE   PHE 101           QE       PHE 101  -3.838   3.743 -10.248
  983    QR   PHE 101           QR       PHE 101  -3.974   4.317  -9.824
  984    H    ALA 102           H        ALA 102  -4.452  10.288  -7.738
  985    HA   ALA 102           HA       ALA 102  -5.373  12.105  -6.656
  986   1HB   ALA 102          3HB       ALA 102  -6.511  12.390  -8.810
  987   2HB   ALA 102          1HB       ALA 102  -7.474  13.013  -7.472
  988   3HB   ALA 102          2HB       ALA 102  -7.884  11.462  -8.209
  989    MB   ALA 102           QB       ALA 102  -7.290  12.288  -8.163
  990    H    GLY 103           H        GLY 103  -6.573   9.107  -5.986
  991   1HA   GLY 103          1HA       GLY 103  -8.598   9.043  -4.302
  992   2HA   GLY 103          2HA       GLY 103  -7.359   9.871  -3.337
  993    QA   GLY 103           QA       GLY 103  -7.978   9.457  -3.820
  994    H    TRP 104           H        TRP 104  -7.343   7.867  -2.040
  995    HA   TRP 104           HA       TRP 104  -5.458   5.937  -3.039
  996   1HB   TRP 104          2HB       TRP 104  -5.542   4.794  -0.977
  997   2HB   TRP 104          1HB       TRP 104  -5.870   6.440  -0.525
  998    HD1  TRP 104           HD       TRP 104  -7.410   2.955  -0.722
  999    HE1  TRP 104          1HE       TRP 104  -9.637   2.899   0.549
 1000    HE3  TRP 104          3HE       TRP 104  -7.952   7.957   0.298
 1001    HZ2  TRP 104          2HZ       TRP 104 -11.357   4.742   1.823
 1002    HZ3  TRP 104          3HZ       TRP 104  -9.867   8.663   1.542
 1003    HH2  TRP 104           HH       TRP 104 -11.451   7.227   2.252
 1004    QB   TRP 104           QB       TRP 104  -5.706   5.617  -0.751
 1005    H    HIS 105           H        HIS 105  -5.734   3.743  -3.774
 1006    HA   HIS 105           HA       HIS 105  -8.505   2.896  -4.208
 1007   1HB   HIS 105          2HB       HIS 105  -6.159   3.008  -6.018
 1008   2HB   HIS 105          1HB       HIS 105  -7.426   1.811  -6.357
 1009    HD1  HIS 105          1HD       HIS 105  -9.195   2.689  -7.912
 1010    HD2  HIS 105          2HD       HIS 105  -7.199   5.771  -5.982
 1011    HE1  HIS 105          1HE       HIS 105 -10.057   4.803  -8.939
 1012    HE2  HIS 105          2HE       HIS 105  -9.127   6.590  -7.485
 1013    QB   HIS 105           QB       HIS 105  -6.793   2.410  -6.188
 1014    H    MET 106           H        MET 106  -8.569   1.385  -2.587
 1015    HA   MET 106           HA       MET 106  -6.276  -0.378  -2.202
 1016   1HB   MET 106          2HB       MET 106  -7.550   0.876  -0.317
 1017   2HB   MET 106          1HB       MET 106  -8.812  -0.314  -0.560
 1018   1HG   MET 106          2HG       MET 106  -5.974  -0.912   0.253
 1019   2HG   MET 106          1HG       MET 106  -7.332  -0.802   1.352
 1020   1HE   MET 106          2HE       MET 106  -5.305  -3.280   1.288
 1021   2HE   MET 106          1HE       MET 106  -6.688  -3.196   2.389
 1022   3HE   MET 106          3HE       MET 106  -6.424  -4.625   1.388
 1023    QB   MET 106           QB       MET 106  -8.181   0.281  -0.438
 1024    QG   MET 106           QG       MET 106  -6.653  -0.857   0.803
 1025    ME   MET 106           QE       MET 106  -6.139  -3.700   1.688
 1026    H    GLN 107           H        GLN 107  -6.275  -2.233  -3.353
 1027    HA   GLN 107           HA       GLN 107  -8.851  -3.415  -3.981
 1028   1HB   GLN 107          2HB       GLN 107  -6.283  -3.420  -5.515
 1029   2HB   GLN 107          1HB       GLN 107  -7.517  -4.638  -5.805
 1030   1HG   GLN 107          2HG       GLN 107  -7.981  -1.670  -5.970
 1031   2HG   GLN 107          1HG       GLN 107  -7.619  -2.706  -7.350
 1032   1HE2  GLN 107          1HE2      GLN 107  -9.993  -1.116  -6.794
 1033   2HE2  GLN 107          2HE2      GLN 107 -11.320  -2.221  -6.804
 1034    QB   GLN 107           QB       GLN 107  -6.900  -4.029  -5.660
 1035    QG   GLN 107           QG       GLN 107  -7.800  -2.188  -6.660
 1036    QE   GLN 107           QE2      GLN 107 -10.657  -1.669  -6.799
 1037    H    LEU 108           H        LEU 108  -9.211  -4.640  -2.341
 1038    HA   LEU 108           HA       LEU 108  -7.839  -7.168  -2.325
 1039   1HB   LEU 108          2HB       LEU 108  -6.887  -5.883  -0.413
 1040   2HB   LEU 108          1HB       LEU 108  -8.491  -5.551   0.175
 1041    HG   LEU 108           HG       LEU 108  -7.110  -7.286   1.436
 1042   1HD1  LEU 108          3HD1      LEU 108  -9.484  -7.080   1.838
 1043   2HD1  LEU 108          2HD1      LEU 108  -9.824  -8.147   0.470
 1044   3HD1  LEU 108          1HD1      LEU 108  -8.984  -8.770   1.889
 1045   1HD2  LEU 108          1HD2      LEU 108  -7.812  -8.983  -0.951
 1046   2HD2  LEU 108          3HD2      LEU 108  -6.191  -8.500  -0.450
 1047   3HD2  LEU 108          2HD2      LEU 108  -7.143  -9.580   0.568
 1048    MD1  LEU 108           QD1      LEU 108  -9.431  -7.999   1.399
 1049    MD2  LEU 108           QD2      LEU 108  -7.049  -9.021  -0.278
 1050    QB   LEU 108           QB       LEU 108  -7.689  -5.717  -0.119
 1051    QD   LEU 108           QQD      LEU 108  -8.240  -8.510   0.561
 1052    H    SER 109           H        SER 109  -9.324  -8.649  -2.639
 1053    HA   SER 109           HA       SER 109 -11.259  -9.699  -2.961
 1054   1HB   SER 109          2HB       SER 109 -12.306  -7.917  -0.739
 1055   2HB   SER 109          1HB       SER 109 -13.134  -9.335  -1.382
 1056    HG   SER 109           HG       SER 109 -10.646 -10.012  -0.747
 1057    QB   SER 109           QB       SER 109 -12.720  -8.626  -1.060
 1058    H    CYS 110           H        CYS 110 -13.601  -9.371  -3.567
 1059    HA   CYS 110           HA       CYS 110 -13.902  -7.264  -5.459
 1060   1HB   CYS 110          2HB       CYS 110 -14.922  -9.375  -5.946
 1061   2HB   CYS 110          1HB       CYS 110 -15.712  -9.448  -4.389
 1062    HG   CYS 110           HG       CYS 110 -16.836  -8.315  -7.246
 1063    QB   CYS 110           QB       CYS 110 -15.317  -9.412  -5.168
 1064    H    SER 111           H        SER 111 -15.258  -5.413  -5.220
 1065    HA   SER 111           HA       SER 111 -15.356  -4.296  -2.670
 1066   1HB   SER 111          2HB       SER 111 -16.897  -3.484  -5.149
 1067   2HB   SER 111          1HB       SER 111 -16.583  -2.474  -3.739
 1068    HG   SER 111           HG       SER 111 -14.495  -2.361  -4.224
 1069    QB   SER 111           QB       SER 111 -16.740  -2.979  -4.444
 1070    H    GLU 112           H        GLU 112 -17.795  -5.958  -4.583
 1071    HA   GLU 112           HA       GLU 112 -19.680  -5.606  -2.411
 1072   1HB   GLU 112          2HB       GLU 112 -20.027  -7.020  -5.054
 1073   2HB   GLU 112          1HB       GLU 112 -21.278  -6.867  -3.828
 1074   1HG   GLU 112          2HG       GLU 112 -21.111  -4.418  -4.054
 1075   2HG   GLU 112          1HG       GLU 112 -19.975  -4.655  -5.384
 1076    QB   GLU 112           QB       GLU 112 -20.653  -6.943  -4.441
 1077    QG   GLU 112           QG       GLU 112 -20.543  -4.536  -4.719
 1078    H    ALA 113           H        ALA 113 -19.084  -8.522  -4.305
 1079    HA   ALA 113           HA       ALA 113 -18.759 -10.688  -3.802
 1080   1HB   ALA 113          3HB       ALA 113 -16.652  -9.782  -2.759
 1081   2HB   ALA 113          2HB       ALA 113 -17.498  -9.786  -1.220
 1082   3HB   ALA 113          1HB       ALA 113 -17.222 -11.305  -2.062
 1083    MB   ALA 113           QB       ALA 113 -17.124 -10.291  -2.014
 1084    H    ASP 114           H        ASP 114 -20.931  -8.935  -2.158
 1085    HA   ASP 114           HA       ASP 114 -21.502 -10.500   0.107
 1086   1HB   ASP 114          2HB       ASP 114 -23.438  -9.178   0.418
 1087   2HB   ASP 114          1HB       ASP 114 -22.189  -8.118  -0.215
 1088    QB   ASP 114           QB       ASP 114 -22.814  -8.648   0.102
 1089    H    MET 115           H        MET 115 -22.664 -10.573  -3.157
 1090    HA   MET 115           HA       MET 115 -24.776 -12.369  -2.681
 1091   1HB   MET 115          2HB       MET 115 -23.248 -11.806  -5.213
 1092   2HB   MET 115          1HB       MET 115 -24.654 -12.855  -5.151
 1093   1HG   MET 115          2HG       MET 115 -24.605  -9.963  -4.367
 1094   2HG   MET 115          1HG       MET 115 -25.196 -10.574  -5.912
 1095   1HE   MET 115          1HE       MET 115 -26.952  -8.668  -4.283
 1096   2HE   MET 115          3HE       MET 115 -27.542  -9.494  -5.725
 1097   3HE   MET 115          2HE       MET 115 -28.510  -9.494  -4.254
 1098    QB   MET 115           QB       MET 115 -23.951 -12.331  -5.182
 1099    QG   MET 115           QG       MET 115 -24.901 -10.268  -5.139
 1100    ME   MET 115           QE       MET 115 -27.668  -9.219  -4.754
 1101    H    ARG 116           H        ARG 116 -21.446 -12.732  -2.942
 1102    HA   ARG 116           HA       ARG 116 -19.968 -14.315  -2.959
 1103   1HB   ARG 116          2HB       ARG 116 -20.334 -16.224  -1.340
 1104   2HB   ARG 116          1HB       ARG 116 -20.498 -14.582  -0.712
 1105   1HG   ARG 116          2HG       ARG 116 -22.932 -14.898  -0.842
 1106   2HG   ARG 116          1HG       ARG 116 -22.675 -16.568  -1.342
 1107   1HD   ARG 116          2HD       ARG 116 -21.724 -15.295   1.211
 1108   2HD   ARG 116          1HD       ARG 116 -23.073 -16.437   1.082
 1109    HE   ARG 116           HE       ARG 116 -20.328 -17.173   0.342
 1110   1HH1  ARG 116          1HH1      ARG 116 -23.246 -17.863   2.274
 1111   2HH1  ARG 116          2HH1      ARG 116 -22.569 -19.197   3.024
 1112   1HH2  ARG 116          1HH2      ARG 116 -19.444 -19.064   1.371
 1113   2HH2  ARG 116          2HH2      ARG 116 -20.384 -19.926   2.500
 1114    QB   ARG 116           QB       ARG 116 -20.416 -15.403  -1.026
 1115    QG   ARG 116           QG       ARG 116 -22.803 -15.733  -1.092
 1116    QD   ARG 116           QD       ARG 116 -22.399 -15.866   1.147
 1117    QH1  ARG 116           QH1      ARG 116 -22.907 -18.530   2.649
 1118    QH2  ARG 116           QH2      ARG 116 -19.914 -19.495   1.935
 1119    H    SER 117           H        SER 117 -22.390 -14.931  -4.945
 1120    HA   SER 117           HA       SER 117 -22.143 -17.617  -5.631
 1121   1HB   SER 117          2HB       SER 117 -23.082 -16.629  -7.828
 1122   2HB   SER 117          1HB       SER 117 -24.032 -16.420  -6.349
 1123    HG   SER 117           HG       SER 117 -23.126 -14.533  -7.941
 1124    QB   SER 117           QB       SER 117 -23.557 -16.525  -7.088
 1125    H    LEU 118           H        LEU 118 -20.056 -15.048  -5.964
 1126    HA   LEU 118           HA       LEU 118 -18.597 -15.478  -8.328
 1127   1HB   LEU 118          2HB       LEU 118 -17.562 -14.483  -5.679
 1128   2HB   LEU 118          1HB       LEU 118 -16.801 -14.248  -7.236
 1129    HG   LEU 118           HG       LEU 118 -19.443 -13.062  -6.375
 1130   1HD1  LEU 118          1HD1      LEU 118 -16.724 -11.804  -6.712
 1131   2HD1  LEU 118          3HD1      LEU 118 -18.222 -10.944  -6.355
 1132   3HD1  LEU 118          2HD1      LEU 118 -17.566 -12.092  -5.191
 1133   1HD2  LEU 118          1HD2      LEU 118 -17.803 -12.650  -8.875
 1134   2HD2  LEU 118          3HD2      LEU 118 -19.379 -13.440  -8.782
 1135   3HD2  LEU 118          2HD2      LEU 118 -19.224 -11.719  -8.428
 1136    MD1  LEU 118           QD1      LEU 118 -17.504 -11.613  -6.086
 1137    MD2  LEU 118           QD2      LEU 118 -18.802 -12.603  -8.695
 1138    QB   LEU 118           QB       LEU 118 -17.182 -14.365  -6.458
 1139    QD   LEU 118           QQD      LEU 118 -18.153 -12.108  -7.391
 1140    H    GLY 119           H        GLY 119 -18.633 -17.254  -5.357
 1141   1HA   GLY 119          1HA       GLY 119 -16.032 -18.510  -5.956
 1142   2HA   GLY 119          2HA       GLY 119 -17.453 -19.528  -5.815
 1143    QA   GLY 119           QA       GLY 119 -16.743 -19.019  -5.886
 1144    H    LEU 120           H        LEU 120 -17.851 -17.015  -3.736
 1145    HA   LEU 120           HA       LEU 120 -16.297 -18.037  -1.514
 1146   1HB   LEU 120          2HB       LEU 120 -16.847 -15.595  -1.884
 1147   2HB   LEU 120          1HB       LEU 120 -18.512 -16.048  -1.553
 1148    HG   LEU 120           HG       LEU 120 -17.817 -16.776   0.720
 1149   1HD1  LEU 120          3HD1      LEU 120 -15.216 -15.453   0.007
 1150   2HD1  LEU 120          2HD1      LEU 120 -15.698 -15.956   1.626
 1151   3HD1  LEU 120          1HD1      LEU 120 -15.476 -17.160   0.357
 1152   1HD2  LEU 120          2HD2      LEU 120 -17.419 -13.889  -0.053
 1153   2HD2  LEU 120          1HD2      LEU 120 -18.907 -14.666   0.489
 1154   3HD2  LEU 120          3HD2      LEU 120 -17.567 -14.447   1.613
 1155    MD1  LEU 120           QD1      LEU 120 -15.463 -16.189   0.664
 1156    MD2  LEU 120           QD2      LEU 120 -17.964 -14.334   0.683
 1157    QB   LEU 120           QB       LEU 120 -17.679 -15.821  -1.718
 1158    QD   LEU 120           QQD      LEU 120 -16.714 -15.262   0.673
 1159    H    ALA 121           H        ALA 121 -19.425 -18.404  -2.905
 1160    HA   ALA 121           HA       ALA 121 -20.591 -19.441  -0.569
 1161   1HB   ALA 121          3HB       ALA 121 -21.629 -19.462  -3.408
 1162   2HB   ALA 121          2HB       ALA 121 -22.563 -19.899  -1.979
 1163   3HB   ALA 121          1HB       ALA 121 -21.997 -18.245  -2.184
 1164    MB   ALA 121           QB       ALA 121 -22.063 -19.202  -2.524
 1165    H    GLU 122           H        GLU 122 -19.250 -21.115  -0.129
 1166    HA   GLU 122           HA       GLU 122 -18.580 -23.115  -2.015
 1167   1HB   GLU 122          2HB       GLU 122 -17.070 -22.666  -0.180
 1168   2HB   GLU 122          1HB       GLU 122 -18.307 -23.086   0.990
 1169   1HG   GLU 122          2HG       GLU 122 -18.246 -25.388   0.330
 1170   2HG   GLU 122          1HG       GLU 122 -17.163 -25.018  -1.006
 1171    QB   GLU 122           QB       GLU 122 -17.688 -22.876   0.405
 1172    QG   GLU 122           QG       GLU 122 -17.704 -25.203  -0.338
 1173    H    SER 123           H        SER 123 -20.014 -24.352  -2.858
 1174    HA   SER 123           HA       SER 123 -22.331 -25.307  -1.560
 1175   1HB   SER 123          2HB       SER 123 -20.911 -26.302  -4.042
 1176   2HB   SER 123          1HB       SER 123 -22.576 -26.664  -3.583
 1177    HG   SER 123           HG       SER 123 -21.991 -24.844  -5.126
 1178    QB   SER 123           QB       SER 123 -21.744 -26.483  -3.812
 1179    H    ARG 124           H        ARG 124 -22.564 -27.260  -0.455
 1180    HA   ARG 124           HA       ARG 124 -20.284 -28.956  -0.392
 1181   1HB   ARG 124          2HB       ARG 124 -20.295 -29.156   2.050
 1182   2HB   ARG 124          1HB       ARG 124 -19.825 -27.562   1.511
 1183   1HG   ARG 124          2HG       ARG 124 -22.582 -28.232   2.492
 1184   2HG   ARG 124          1HG       ARG 124 -21.292 -27.677   3.557
 1185   1HD   ARG 124          2HD       ARG 124 -21.112 -25.626   2.176
 1186   2HD   ARG 124          1HD       ARG 124 -22.473 -26.195   1.217
 1187    HE   ARG 124           HE       ARG 124 -23.385 -26.236   3.761
 1188   1HH1  ARG 124          1HH1      ARG 124 -21.939 -23.750   1.669
 1189   2HH1  ARG 124          2HH1      ARG 124 -22.728 -22.456   2.447
 1190   1HH2  ARG 124          1HH2      ARG 124 -24.481 -24.383   4.818
 1191   2HH2  ARG 124          2HH2      ARG 124 -24.170 -22.816   4.222
 1192    QB   ARG 124           QB       ARG 124 -20.060 -28.359   1.781
 1193    QG   ARG 124           QG       ARG 124 -21.937 -27.955   3.025
 1194    QD   ARG 124           QD       ARG 124 -21.793 -25.911   1.696
 1195    QH1  ARG 124           QH1      ARG 124 -22.333 -23.103   2.058
 1196    QH2  ARG 124           QH2      ARG 124 -24.325 -23.600   4.520
 1197    H    GLN 125           H        GLN 125 -20.700 -30.797  -0.431
 1198    HA   GLN 125           HA       GLN 125 -23.447 -31.779  -0.507
 1199   1HB   GLN 125          2HB       GLN 125 -22.409 -33.787  -1.563
 1200   2HB   GLN 125          1HB       GLN 125 -22.144 -32.278  -2.438
 1201   1HG   GLN 125          2HG       GLN 125 -19.894 -32.131  -1.504
 1202   2HG   GLN 125          1HG       GLN 125 -20.159 -33.623  -0.614
 1203   1HE2  GLN 125          1HE2      GLN 125 -21.292 -33.132  -3.897
 1204   2HE2  GLN 125          2HE2      GLN 125 -20.208 -34.230  -4.636
 1205    QB   GLN 125           QB       GLN 125 -22.276 -33.032  -2.000
 1206    QG   GLN 125           QG       GLN 125 -20.027 -32.877  -1.059
 1207    QE   GLN 125           QE2      GLN 125 -20.750 -33.681  -4.267

  No H/Q in entry =        1207
  Start of MODEL   20
    1    H1   LEU   5          3HT       LEU   5  -5.573  31.781 -22.264
    2    H2   LEU   5          2HT       LEU   5  -6.817  31.748 -23.402
    3    H3   LEU   5          1HT       LEU   5  -6.899  32.771 -22.045
    4    HA   LEU   5           HA       LEU   5  -8.293  30.881 -21.629
    5   1HB   LEU   5          2HB       LEU   5  -6.946  29.384 -23.158
    6   2HB   LEU   5          1HB       LEU   5  -5.708  29.345 -21.920
    7    HG   LEU   5           HG       LEU   5  -7.429  28.289 -20.398
    8   1HD1  LEU   5          2HD1      LEU   5  -9.412  28.981 -21.654
    9   2HD1  LEU   5          1HD1      LEU   5  -8.930  27.938 -22.985
   10   3HD1  LEU   5          3HD1      LEU   5  -9.358  27.233 -21.425
   11   1HD2  LEU   5          2HD2      LEU   5  -6.647  26.819 -22.911
   12   2HD2  LEU   5          1HD2      LEU   5  -5.662  26.996 -21.458
   13   3HD2  LEU   5          3HD2      LEU   5  -7.159  26.063 -21.405
   14    MD1  LEU   5           QD1      LEU   5  -9.233  28.051 -22.021
   15    MD2  LEU   5           QD2      LEU   5  -6.489  26.626 -21.925
   16    QB   LEU   5           QB       LEU   5  -6.327  29.364 -22.539
   17    QD   LEU   5           QQD      LEU   5  -7.861  27.338 -21.973
   18    H    GLU   6           H        GLU   6  -8.456  30.331 -19.409
   19    HA   GLU   6           HA       GLU   6  -6.636  31.680 -17.700
   20   1HB   GLU   6          2HB       GLU   6  -9.072  31.427 -17.153
   21   2HB   GLU   6          1HB       GLU   6  -8.719  29.697 -17.057
   22   1HG   GLU   6          2HG       GLU   6  -8.984  30.953 -14.934
   23   2HG   GLU   6          1HG       GLU   6  -7.531  29.945 -15.058
   24    QB   GLU   6           QB       GLU   6  -8.895  30.562 -17.105
   25    QG   GLU   6           QG       GLU   6  -8.258  30.449 -14.996
   26    H    ALA   7           H        ALA   7  -5.346  30.735 -16.159
   27    HA   ALA   7           HA       ALA   7  -3.609  28.803 -17.274
   28   1HB   ALA   7          2HB       ALA   7  -3.682  29.824 -14.446
   29   2HB   ALA   7          1HB       ALA   7  -2.351  28.964 -15.229
   30   3HB   ALA   7          3HB       ALA   7  -2.813  30.572 -15.788
   31    MB   ALA   7           QB       ALA   7  -2.948  29.787 -15.154
   32    H    ASP   8           H        ASP   8  -3.485  26.740 -17.070
   33    HA   ASP   8           HA       ASP   8  -5.320  25.366 -15.246
   34   1HB   ASP   8          2HB       ASP   8  -5.706  25.040 -17.675
   35   2HB   ASP   8          1HB       ASP   8  -4.079  24.425 -17.835
   36    QB   ASP   8           QB       ASP   8  -4.893  24.732 -17.755
   37    H    VAL   9           H        VAL   9  -4.400  23.427 -14.209
   38    HA   VAL   9           HA       VAL   9  -1.948  23.808 -13.281
   39    HB   VAL   9           HB       VAL   9  -2.016  21.460 -12.388
   40   1HG1  VAL   9          3HG1      VAL   9  -4.432  23.223 -11.980
   41   2HG1  VAL   9          2HG1      VAL   9  -3.932  21.921 -10.898
   42   3HG1  VAL   9          1HG1      VAL   9  -2.899  23.329 -11.122
   43   1HG2  VAL   9          3HG2      VAL   9  -4.639  21.490 -13.823
   44   2HG2  VAL   9          2HG2      VAL   9  -3.252  20.465 -14.199
   45   3HG2  VAL   9          1HG2      VAL   9  -4.132  20.237 -12.673
   46    MG1  VAL   9           QG1      VAL   9  -3.754  22.825 -11.333
   47    MG2  VAL   9           QG2      VAL   9  -4.008  20.731 -13.565
   48    QG   VAL   9           QQG      VAL   9  -3.881  21.778 -12.449
   49    H    THR  10           H        THR  10  -2.958  21.972 -16.063
   50    HA   THR  10           HA       THR  10  -1.891  20.676 -17.626
   51    HB   THR  10           HB       THR  10  -0.056  21.674 -18.665
   52    HG1  THR  10          1HG       THR  10   0.213  23.038 -16.239
   53   1HG2  THR  10          2HG2      THR  10  -2.221  22.612 -19.171
   54   2HG2  THR  10          1HG2      THR  10  -2.080  23.747 -17.829
   55   3HG2  THR  10          3HG2      THR  10  -1.016  23.900 -19.229
   56    MG   THR  10           QG2      THR  10  -1.772  23.420 -18.743
   57    H    MET  11           H        MET  11   1.158  20.842 -17.700
   58    HA   MET  11           HA       MET  11   1.600  18.427 -16.201
   59   1HB   MET  11          2HB       MET  11   3.377  20.141 -17.944
   60   2HB   MET  11          1HB       MET  11   3.898  18.661 -17.160
   61   1HG   MET  11          2HG       MET  11   2.361  17.367 -18.459
   62   2HG   MET  11          1HG       MET  11   1.636  18.821 -19.136
   63   1HE   MET  11          1HE       MET  11   4.933  16.652 -18.940
   64   2HE   MET  11          3HE       MET  11   5.975  17.528 -20.058
   65   3HE   MET  11          2HE       MET  11   5.506  18.273 -18.535
   66    QB   MET  11           QB       MET  11   3.638  19.401 -17.552
   67    QG   MET  11           QG       MET  11   1.998  18.094 -18.797
   68    ME   MET  11           QE       MET  11   5.472  17.484 -19.178
   69    H    THR  12           H        THR  12   1.770  18.807 -14.038
   70    HA   THR  12           HA       THR  12   2.799  21.203 -12.933
   71    HB   THR  12           HB       THR  12   2.694  19.962 -10.904
   72    HG1  THR  12          1HG       THR  12   1.452  17.812 -11.124
   73   1HG2  THR  12          2HG2      THR  12   0.801  21.295 -11.634
   74   2HG2  THR  12          1HG2      THR  12   0.180  19.953 -12.588
   75   3HG2  THR  12          3HG2      THR  12   0.193  19.849 -10.827
   76    MG   THR  12           QG2      THR  12   0.391  20.366 -11.683
   77    H    GLY  13           H        GLY  13   3.949  17.938 -12.411
   78   1HA   GLY  13          1HA       GLY  13   6.644  18.344 -13.203
   79   2HA   GLY  13          2HA       GLY  13   6.087  17.076 -12.110
   80    QA   GLY  13           QA       GLY  13   6.365  17.710 -12.656
   81    H    SER  14           H        SER  14   5.263  18.208  -9.953
   82    HA   SER  14           HA       SER  14   7.072  20.335  -9.174
   83   1HB   SER  14          2HB       SER  14   4.528  19.362  -7.876
   84   2HB   SER  14          1HB       SER  14   5.399  20.867  -7.574
   85    HG   SER  14           HG       SER  14   5.023  21.235  -9.908
   86    QB   SER  14           QB       SER  14   4.963  20.115  -7.725
   87    H    ASP  15           H        ASP  15   6.026  19.376  -6.353
   88    HA   ASP  15           HA       ASP  15   8.323  17.759  -5.833
   89   1HB   ASP  15          2HB       ASP  15   7.654  18.502  -3.469
   90   2HB   ASP  15          1HB       ASP  15   8.651  19.609  -4.365
   91    QB   ASP  15           QB       ASP  15   8.152  19.055  -3.917
   92    H    LEU  16           H        LEU  16   6.503  16.487  -6.855
   93    HA   LEU  16           HA       LEU  16   5.408  14.927  -4.653
   94   1HB   LEU  16          2HB       LEU  16   4.633  14.737  -7.516
   95   2HB   LEU  16          1HB       LEU  16   3.830  13.959  -6.156
   96    HG   LEU  16           HG       LEU  16   2.350  15.568  -6.658
   97   1HD1  LEU  16          3HD1      LEU  16   4.110  17.057  -4.799
   98   2HD1  LEU  16          2HD1      LEU  16   2.448  17.498  -5.204
   99   3HD1  LEU  16          1HD1      LEU  16   2.792  15.957  -4.404
  100   1HD2  LEU  16          3HD2      LEU  16   4.595  17.295  -7.583
  101   2HD2  LEU  16          2HD2      LEU  16   3.381  16.381  -8.491
  102   3HD2  LEU  16          1HD2      LEU  16   2.876  17.795  -7.559
  103    MD1  LEU  16           QD1      LEU  16   3.117  16.837  -4.802
  104    MD2  LEU  16           QD2      LEU  16   3.618  17.157  -7.878
  105    QB   LEU  16           QB       LEU  16   4.232  14.348  -6.836
  106    QD   LEU  16           QQD      LEU  16   3.367  16.997  -6.340
  107    H    VAL  17           H        VAL  17   5.498  12.748  -4.856
  108    HA   VAL  17           HA       VAL  17   7.593  11.823  -6.393
  109    HB   VAL  17           HB       VAL  17   7.665  12.062  -3.399
  110   1HG1  VAL  17          2HG1      VAL  17   9.013  10.112  -5.091
  111   2HG1  VAL  17          1HG1      VAL  17   9.597  10.515  -3.424
  112   3HG1  VAL  17          3HG1      VAL  17   7.958   9.833  -3.664
  113   1HG2  VAL  17          3HG2      VAL  17   8.871  13.702  -4.841
  114   2HG2  VAL  17          2HG2      VAL  17   9.902  12.849  -3.695
  115   3HG2  VAL  17          1HG2      VAL  17   9.890  12.381  -5.394
  116    MG1  VAL  17           QG1      VAL  17   8.856  10.153  -4.060
  117    MG2  VAL  17           QG2      VAL  17   9.554  12.978  -4.643
  118    QG   VAL  17           QQG      VAL  17   9.205  11.565  -4.352
  119    H    SER  18           H        SER  18   7.408   9.499  -6.383
  120    HA   SER  18           HA       SER  18   5.155   8.349  -4.916
  121   1HB   SER  18          2HB       SER  18   4.649   6.879  -6.844
  122   2HB   SER  18          1HB       SER  18   4.383   8.578  -7.208
  123    HG   SER  18           HG       SER  18   6.849   7.363  -7.755
  124    QB   SER  18           QB       SER  18   4.516   7.728  -7.026
  125    H    CYS  19           H        CYS  19   5.963   7.002  -3.553
  126    HA   CYS  19           HA       CYS  19   8.291   5.430  -4.302
  127   1HB   CYS  19          2HB       CYS  19   6.891   5.793  -1.632
  128   2HB   CYS  19          1HB       CYS  19   8.273   4.738  -1.889
  129    HG   CYS  19           HG       CYS  19   9.968   6.513  -1.253
  130    QB   CYS  19           QB       CYS  19   7.582   5.265  -1.761
  131    H    CYS  20           H        CYS  20   7.872   3.589  -5.236
  132    HA   CYS  20           HA       CYS  20   5.215   2.404  -4.928
  133   1HB   CYS  20          2HB       CYS  20   7.336   1.852  -7.023
  134   2HB   CYS  20          1HB       CYS  20   5.665   1.312  -7.032
  135    HG   CYS  20           HG       CYS  20   6.844   3.825  -8.540
  136    QB   CYS  20           QB       CYS  20   6.500   1.582  -7.027
  137    H    TYR  21           H        TYR  21   5.148   0.283  -3.992
  138    HA   TYR  21           HA       TYR  21   7.781  -0.902  -3.660
  139   1HB   TYR  21          2HB       TYR  21   7.774  -1.020  -1.421
  140   2HB   TYR  21          1HB       TYR  21   7.171   0.569  -1.736
  141    HD1  TYR  21          1HD       TYR  21   5.893  -2.851  -0.801
  142    HD2  TYR  21          2HD       TYR  21   5.424   1.363  -0.542
  143    HE1  TYR  21          1HE       TYR  21   4.121  -3.144   0.895
  144    HE2  TYR  21          2HE       TYR  21   3.696   1.064   1.131
  145    HH   TYR  21           HH       TYR  21   2.091  -0.709   1.895
  146    QB   TYR  21           QB       TYR  21   7.473  -0.225  -1.578
  147    QD   TYR  21           QD       TYR  21   5.659  -0.744  -0.672
  148    QE   TYR  21           QE       TYR  21   3.908  -1.040   1.013
  149    QR   TYR  21           QR       TYR  21   4.784  -0.892   0.171
  150    H    ARG  22           H        ARG  22   7.735  -3.044  -2.920
  151    HA   ARG  22           HA       ARG  22   5.283  -4.540  -3.612
  152   1HB   ARG  22          2HB       ARG  22   6.691  -6.382  -4.179
  153   2HB   ARG  22          1HB       ARG  22   7.423  -4.961  -4.912
  154   1HG   ARG  22          2HG       ARG  22   9.035  -4.805  -3.111
  155   2HG   ARG  22          1HG       ARG  22   8.296  -6.185  -2.309
  156   1HD   ARG  22          2HD       ARG  22   8.789  -7.497  -4.338
  157   2HD   ARG  22          1HD       ARG  22   9.731  -6.104  -4.918
  158    HE   ARG  22           HE       ARG  22  10.466  -6.948  -2.282
  159   1HH1  ARG  22          1HH1      ARG  22  11.044  -7.640  -5.709
  160   2HH1  ARG  22          2HH1      ARG  22  12.564  -8.360  -5.438
  161   1HH2  ARG  22          1HH2      ARG  22  12.588  -7.975  -1.924
  162   2HH2  ARG  22          2HH2      ARG  22  13.455  -8.511  -3.266
  163    QB   ARG  22           QB       ARG  22   7.057  -5.671  -4.546
  164    QG   ARG  22           QG       ARG  22   8.665  -5.495  -2.710
  165    QD   ARG  22           QD       ARG  22   9.260  -6.801  -4.628
  166    QH1  ARG  22           QH1      ARG  22  11.804  -8.000  -5.574
  167    QH2  ARG  22           QH2      ARG  22  13.021  -8.243  -2.595
  168    H    SER  23           H        SER  23   4.780  -6.303  -2.173
  169    HA   SER  23           HA       SER  23   6.563  -6.734  -0.034
  170   1HB   SER  23          2HB       SER  23   3.755  -5.820   0.561
  171   2HB   SER  23          1HB       SER  23   4.664  -6.808   1.708
  172    HG   SER  23           HG       SER  23   5.795  -4.543   0.577
  173    QB   SER  23           QB       SER  23   4.209  -6.314   1.134
  174    H    LEU  24           H        LEU  24   6.533  -8.780   0.718
  175    HA   LEU  24           HA       LEU  24   5.006 -10.609  -0.918
  176   1HB   LEU  24          2HB       LEU  24   7.427 -10.847   0.838
  177   2HB   LEU  24          1HB       LEU  24   6.575 -12.311   0.352
  178    HG   LEU  24           HG       LEU  24   8.505 -11.952  -1.049
  179   1HD1  LEU  24          3HD1      LEU  24   6.560 -12.899  -2.144
  180   2HD1  LEU  24          2HD1      LEU  24   6.028 -11.275  -2.598
  181   3HD1  LEU  24          1HD1      LEU  24   7.523 -11.924  -3.254
  182   1HD2  LEU  24          1HD2      LEU  24   7.332  -9.256  -1.709
  183   2HD2  LEU  24          3HD2      LEU  24   8.810  -9.549  -0.791
  184   3HD2  LEU  24          2HD2      LEU  24   8.724  -9.969  -2.505
  185    MD1  LEU  24           QD1      LEU  24   6.703 -12.033  -2.665
  186    MD2  LEU  24           QD2      LEU  24   8.289  -9.591  -1.668
  187    QB   LEU  24           QB       LEU  24   7.001 -11.579   0.595
  188    QD   LEU  24           QQD      LEU  24   7.496 -10.812  -2.167
  189    H    ALA  25           H        ALA  25   3.429  -9.279   0.801
  190    HA   ALA  25           HA       ALA  25   2.498  -9.290   3.086
  191   1HB   ALA  25          2HB       ALA  25   0.984  -9.201   1.180
  192   2HB   ALA  25          1HB       ALA  25   0.805 -10.961   1.246
  193   3HB   ALA  25          3HB       ALA  25   0.279  -9.954   2.602
  194    MB   ALA  25           QB       ALA  25   0.689 -10.038   1.676
  195    H    ALA  26           H        ALA  26   2.518 -10.242   5.108
  196    HA   ALA  26           HA       ALA  26   3.550 -12.759   5.243
  197   1HB   ALA  26          3HB       ALA  26   4.210 -11.091   6.813
  198   2HB   ALA  26          2HB       ALA  26   2.549 -10.810   7.319
  199   3HB   ALA  26          1HB       ALA  26   3.342 -12.344   7.695
  200    MB   ALA  26           QB       ALA  26   3.367 -11.415   7.276
  201    HA   PRO  27           HA       PRO  27  -0.576 -14.692   5.133
  202   1HB   PRO  27          2HB       PRO  27   0.293 -17.190   5.674
  203   2HB   PRO  27          1HB       PRO  27   0.557 -16.401   4.106
  204   1HG   PRO  27          2HG       PRO  27   2.392 -16.272   6.487
  205   2HG   PRO  27          1HG       PRO  27   2.802 -17.020   4.886
  206   1HD   PRO  27          2HD       PRO  27   3.527 -14.672   5.497
  207   2HD   PRO  27          1HD       PRO  27   2.651 -14.836   3.956
  208    QB   PRO  27           QB       PRO  27   0.425 -16.795   4.890
  209    QG   PRO  27           QG       PRO  27   2.597 -16.646   5.686
  210    QD   PRO  27           QD       PRO  27   3.089 -14.754   4.727
  211    H    ASP  28           H        ASP  28   1.257 -14.063   7.670
  212    HA   ASP  28           HA       ASP  28  -0.417 -15.516   9.596
  213   1HB   ASP  28          2HB       ASP  28   1.371 -15.190  11.268
  214   2HB   ASP  28          1HB       ASP  28   1.943 -16.043   9.843
  215    QB   ASP  28           QB       ASP  28   1.657 -15.617  10.556
  216    H    LEU  29           H        LEU  29  -0.777 -12.857   8.163
  217    HA   LEU  29           HA       LEU  29  -0.869 -10.973  10.360
  218   1HB   LEU  29          2HB       LEU  29  -1.800 -10.735   7.527
  219   2HB   LEU  29          1HB       LEU  29  -1.828  -9.442   8.709
  220    HG   LEU  29           HG       LEU  29   0.579 -10.796   7.560
  221   1HD1  LEU  29          3HD1      LEU  29  -0.646  -9.246   6.089
  222   2HD1  LEU  29          2HD1      LEU  29  -0.421  -7.978   7.298
  223   3HD1  LEU  29          1HD1      LEU  29   0.983  -8.683   6.489
  224   1HD2  LEU  29          3HD2      LEU  29   0.363  -8.610   9.629
  225   2HD2  LEU  29          2HD2      LEU  29   1.043 -10.225   9.846
  226   3HD2  LEU  29          1HD2      LEU  29   1.854  -9.071   8.801
  227    MD1  LEU  29           QD1      LEU  29  -0.028  -8.636   6.625
  228    MD2  LEU  29           QD2      LEU  29   1.087  -9.302   9.425
  229    QB   LEU  29           QB       LEU  29  -1.814 -10.088   8.118
  230    QD   LEU  29           QQD      LEU  29   0.529  -8.969   8.025
  231    H    THR  30           H        THR  30  -2.822  -9.717  10.699
  232    HA   THR  30           HA       THR  30  -5.249 -11.302  10.623
  233    HB   THR  30           HB       THR  30  -5.778  -9.265  12.060
  234    HG1  THR  30          1HG       THR  30  -4.105  -8.379  12.955
  235   1HG2  THR  30          2HG2      THR  30  -4.525 -11.851  12.847
  236   2HG2  THR  30          1HG2      THR  30  -5.292 -10.741  14.025
  237   3HG2  THR  30          3HG2      THR  30  -6.234 -11.367  12.671
  238    MG   THR  30           QG2      THR  30  -5.350 -11.320  13.181
  239    H    LEU  31           H        LEU  31  -6.690 -10.809   9.295
  240    HA   LEU  31           HA       LEU  31  -6.800  -8.789   7.336
  241   1HB   LEU  31          2HB       LEU  31  -8.195 -10.920   7.628
  242   2HB   LEU  31          1HB       LEU  31  -9.016  -9.901   8.820
  243    HG   LEU  31           HG       LEU  31  -9.656  -8.328   7.066
  244   1HD1  LEU  31          1HD1      LEU  31  -8.510 -10.366   5.172
  245   2HD1  LEU  31          3HD1      LEU  31  -9.468  -8.959   4.713
  246   3HD1  LEU  31          2HD1      LEU  31  -7.890  -8.739   5.463
  247   1HD2  LEU  31          2HD2      LEU  31 -11.191 -10.047   7.778
  248   2HD2  LEU  31          1HD2      LEU  31 -11.400  -9.714   6.055
  249   3HD2  LEU  31          3HD2      LEU  31 -10.540 -11.167   6.581
  250    MD1  LEU  31           QD1      LEU  31  -8.623  -9.355   5.116
  251    MD2  LEU  31           QD2      LEU  31 -11.044 -10.309   6.805
  252    QB   LEU  31           QB       LEU  31  -8.606 -10.411   8.224
  253    QD   LEU  31           QQD      LEU  31  -9.833  -9.832   5.960
  254    H    ARG  32           H        ARG  32  -8.056  -8.753  10.648
  255    HA   ARG  32           HA       ARG  32  -9.535  -6.394  10.181
  256   1HB   ARG  32          2HB       ARG  32  -9.943  -7.823  12.164
  257   2HB   ARG  32          1HB       ARG  32  -8.401  -7.293  12.834
  258   1HG   ARG  32          2HG       ARG  32 -10.078  -5.940  13.880
  259   2HG   ARG  32          1HG       ARG  32  -9.234  -4.967  12.654
  260   1HD   ARG  32          2HD       ARG  32 -11.031  -5.279  11.072
  261   2HD   ARG  32          1HD       ARG  32 -11.897  -6.305  12.218
  262    HE   ARG  32           HE       ARG  32 -11.591  -4.072  13.613
  263   1HH1  ARG  32          1HH1      ARG  32 -12.871  -4.605  10.332
  264   2HH1  ARG  32          2HH1      ARG  32 -13.799  -3.193  10.318
  265   1HH2  ARG  32          1HH2      ARG  32 -12.870  -2.141  13.586
  266   2HH2  ARG  32          2HH2      ARG  32 -13.805  -1.740  12.217
  267    QB   ARG  32           QB       ARG  32  -9.172  -7.558  12.499
  268    QG   ARG  32           QG       ARG  32  -9.656  -5.453  13.267
  269    QD   ARG  32           QD       ARG  32 -11.464  -5.792  11.645
  270    QH1  ARG  32           QH1      ARG  32 -13.335  -3.899  10.325
  271    QH2  ARG  32           QH2      ARG  32 -13.337  -1.941  12.901
  272    H    ASP  33           H        ASP  33  -6.230  -6.968  10.988
  273    HA   ASP  33           HA       ASP  33  -5.691  -4.236  11.571
  274   1HB   ASP  33          2HB       ASP  33  -3.860  -6.583  11.073
  275   2HB   ASP  33          1HB       ASP  33  -3.282  -4.968  11.477
  276    QB   ASP  33           QB       ASP  33  -3.571  -5.775  11.275
  277    H    LEU  34           H        LEU  34  -5.701  -6.219   8.648
  278    HA   LEU  34           HA       LEU  34  -4.396  -4.165   7.057
  279   1HB   LEU  34          2HB       LEU  34  -6.273  -6.355   6.173
  280   2HB   LEU  34          1HB       LEU  34  -5.618  -5.165   5.079
  281    HG   LEU  34           HG       LEU  34  -4.444  -7.207   4.799
  282   1HD1  LEU  34          3HD1      LEU  34  -3.089  -5.198   4.631
  283   2HD1  LEU  34          2HD1      LEU  34  -2.699  -5.312   6.346
  284   3HD1  LEU  34          1HD1      LEU  34  -2.152  -6.564   5.238
  285   1HD2  LEU  34          2HD2      LEU  34  -5.073  -8.035   6.938
  286   2HD2  LEU  34          1HD2      LEU  34  -3.333  -8.349   6.585
  287   3HD2  LEU  34          3HD2      LEU  34  -3.823  -7.026   7.677
  288    MD1  LEU  34           QD1      LEU  34  -2.647  -5.691   5.405
  289    MD2  LEU  34           QD2      LEU  34  -4.076  -7.803   7.067
  290    QB   LEU  34           QB       LEU  34  -5.945  -5.760   5.626
  291    QD   LEU  34           QQD      LEU  34  -3.361  -6.747   6.236
  292    H    LEU  35           H        LEU  35  -7.567  -4.865   7.969
  293    HA   LEU  35           HA       LEU  35  -8.581  -2.691   6.295
  294   1HB   LEU  35          2HB       LEU  35 -10.230  -4.065   8.383
  295   2HB   LEU  35          1HB       LEU  35 -10.713  -3.438   6.820
  296    HG   LEU  35           HG       LEU  35  -9.386  -6.019   7.493
  297   1HD1  LEU  35          3HD1      LEU  35 -11.762  -5.371   5.876
  298   2HD1  LEU  35          2HD1      LEU  35 -11.027  -6.977   6.075
  299   3HD1  LEU  35          1HD1      LEU  35 -11.662  -6.104   7.489
  300   1HD2  LEU  35          1HD2      LEU  35  -9.342  -4.827   4.708
  301   2HD2  LEU  35          3HD2      LEU  35  -8.013  -5.155   5.832
  302   3HD2  LEU  35          2HD2      LEU  35  -8.895  -6.510   5.169
  303    MD1  LEU  35           QD1      LEU  35 -11.483  -6.151   6.480
  304    MD2  LEU  35           QD2      LEU  35  -8.750  -5.497   5.237
  305    QB   LEU  35           QB       LEU  35 -10.471  -3.751   7.602
  306    QD   LEU  35           QQD      LEU  35 -10.117  -5.824   5.858
  307    H    ASP  36           H        ASP  36  -7.417  -3.008   9.405
  308    HA   ASP  36           HA       ASP  36  -8.399  -0.392  10.208
  309   1HB   ASP  36          2HB       ASP  36  -7.441  -1.944  11.930
  310   2HB   ASP  36          1HB       ASP  36  -5.854  -1.726  11.189
  311    QB   ASP  36           QB       ASP  36  -6.647  -1.835  11.559
  312    H    ILE  37           H        ILE  37  -5.401  -1.653   8.872
  313    HA   ILE  37           HA       ILE  37  -3.949   0.587   8.385
  314    HB   ILE  37           HB       ILE  37  -4.259  -1.946   6.798
  315   1HG1  ILE  37          2HG1      ILE  37  -1.807  -0.922   8.167
  316   2HG1  ILE  37          1HG1      ILE  37  -3.027  -1.779   9.077
  317   1HG2  ILE  37          2HG2      ILE  37  -2.336   0.284   6.111
  318   2HG2  ILE  37          1HG2      ILE  37  -2.304  -1.339   5.425
  319   3HG2  ILE  37          3HG2      ILE  37  -3.681  -0.282   5.124
  320   1HD1  ILE  37          3HD1      ILE  37  -1.706  -2.834   6.626
  321   2HD1  ILE  37          2HD1      ILE  37  -1.127  -3.140   8.272
  322   3HD1  ILE  37          1HD1      ILE  37  -2.711  -3.728   7.753
  323    MG   ILE  37           QG2      ILE  37  -2.774  -0.446   5.554
  324    MD   ILE  37           QD1      ILE  37  -1.848  -3.234   7.550
  325    QG   ILE  37           QG1      ILE  37  -2.417  -1.351   8.622
  326    H    VAL  38           H        VAL  38  -6.409  -0.819   6.186
  327    HA   VAL  38           HA       VAL  38  -6.258   1.025   4.207
  328    HB   VAL  38           HB       VAL  38  -8.377   0.262   3.443
  329   1HG1  VAL  38          1HG1      VAL  38  -6.695  -1.298   3.227
  330   2HG1  VAL  38          3HG1      VAL  38  -7.107  -2.003   4.787
  331   3HG1  VAL  38          2HG1      VAL  38  -8.270  -2.067   3.455
  332   1HG2  VAL  38          2HG2      VAL  38  -9.002  -0.705   6.214
  333   2HG2  VAL  38          1HG2      VAL  38  -9.805   0.594   5.342
  334   3HG2  VAL  38          3HG2      VAL  38  -9.968  -1.071   4.776
  335    MG1  VAL  38           QG1      VAL  38  -7.357  -1.790   3.823
  336    MG2  VAL  38           QG2      VAL  38  -9.592  -0.394   5.444
  337    QG   VAL  38           QQG      VAL  38  -8.474  -1.092   4.634
  338    H    GLU  39           H        GLU  39  -8.132   1.257   7.162
  339    HA   GLU  39           HA       GLU  39  -9.430   3.690   6.533
  340   1HB   GLU  39          2HB       GLU  39  -8.962   2.239   9.115
  341   2HB   GLU  39          1HB       GLU  39  -9.956   3.678   8.994
  342   1HG   GLU  39          2HG       GLU  39 -10.430   1.056   7.584
  343   2HG   GLU  39          1HG       GLU  39 -11.305   1.663   8.987
  344    QB   GLU  39           QB       GLU  39  -9.459   2.959   9.055
  345    QG   GLU  39           QG       GLU  39 -10.867   1.359   8.286
  346    H    THR  40           H        THR  40  -6.675   2.863   8.580
  347    HA   THR  40           HA       THR  40  -6.092   5.445   9.440
  348    HB   THR  40           HB       THR  40  -4.267   3.026   9.191
  349    HG1  THR  40          1HG       THR  40  -5.336   2.290  10.955
  350   1HG2  THR  40          1HG2      THR  40  -4.107   5.465  11.001
  351   2HG2  THR  40          3HG2      THR  40  -3.024   4.076  11.067
  352   3HG2  THR  40          2HG2      THR  40  -3.026   5.130   9.648
  353    MG   THR  40           QG2      THR  40  -3.385   4.890  10.572
  354    H    SER  41           H        SER  41  -5.063   3.657   6.576
  355    HA   SER  41           HA       SER  41  -3.076   5.467   5.728
  356   1HB   SER  41          2HB       SER  41  -4.692   3.483   4.111
  357   2HB   SER  41          1HB       SER  41  -3.248   4.320   3.541
  358    HG   SER  41           HG       SER  41  -3.449   2.520   5.719
  359    QB   SER  41           QB       SER  41  -3.970   3.902   3.826
  360    H    GLN  42           H        GLN  42  -6.484   5.101   4.720
  361    HA   GLN  42           HA       GLN  42  -6.681   7.126   2.817
  362   1HB   GLN  42          2HB       GLN  42  -8.613   6.173   4.881
  363   2HB   GLN  42          1HB       GLN  42  -9.054   7.350   3.662
  364   1HG   GLN  42          2HG       GLN  42  -8.822   5.851   1.934
  365   2HG   GLN  42          1HG       GLN  42  -7.836   4.766   2.913
  366   1HE2  GLN  42          1HE2      GLN  42  -9.611   4.882   5.194
  367   2HE2  GLN  42          2HE2      GLN  42 -10.924   3.860   4.723
  368    QB   GLN  42           QB       GLN  42  -8.834   6.761   4.272
  369    QG   GLN  42           QG       GLN  42  -8.329   5.308   2.424
  370    QE   GLN  42           QE2      GLN  42 -10.267   4.371   4.959
  371    H    ALA  43           H        ALA  43  -7.246   7.310   6.247
  372    HA   ALA  43           HA       ALA  43  -7.967  10.017   6.309
  373   1HB   ALA  43          2HB       ALA  43  -8.039   9.709   8.679
  374   2HB   ALA  43          3HB       ALA  43  -6.975   8.290   8.562
  375   3HB   ALA  43          1HB       ALA  43  -8.592   8.228   7.869
  376    MB   ALA  43           QB       ALA  43  -7.869   8.742   8.370
  377    H    HIS  44           H        HIS  44  -4.902   8.465   6.337
  378    HA   HIS  44           HA       HIS  44  -3.521  10.839   7.332
  379   1HB   HIS  44          2HB       HIS  44  -2.838   8.363   7.834
  380   2HB   HIS  44          1HB       HIS  44  -2.268   8.420   6.159
  381    HD1  HIS  44          1HD       HIS  44  -1.557   9.998   9.500
  382    HD2  HIS  44          2HD       HIS  44   0.201   9.561   5.767
  383    HE1  HIS  44          1HE       HIS  44   0.746  10.905   9.720
  384    HE2  HIS  44          2HE       HIS  44   1.880  10.177   7.681
  385    QB   HIS  44           QB       HIS  44  -2.553   8.391   6.997
  386    H    ASN  45           H        ASN  45  -3.944   8.957   4.390
  387    HA   ASN  45           HA       ASN  45  -2.174  10.456   2.830
  388   1HB   ASN  45          2HB       ASN  45  -4.347   8.507   2.145
  389   2HB   ASN  45          1HB       ASN  45  -3.555   9.433   0.875
  390   1HD2  ASN  45          1HD2      ASN  45  -2.668   7.572  -0.009
  391   2HD2  ASN  45          2HD2      ASN  45  -1.371   6.716   0.745
  392    QB   ASN  45           QB       ASN  45  -3.951   8.970   1.510
  393    QD   ASN  45           QD2      ASN  45  -2.020   7.144   0.368
  394    H    ALA  46           H        ALA  46  -5.682  10.643   3.215
  395    HA   ALA  46           HA       ALA  46  -6.133  12.736   1.429
  396   1HB   ALA  46          2HB       ALA  46  -8.145  13.182   2.743
  397   2HB   ALA  46          3HB       ALA  46  -7.500  12.195   4.059
  398   3HB   ALA  46          1HB       ALA  46  -7.922  11.444   2.515
  399    MB   ALA  46           QB       ALA  46  -7.856  12.274   3.105
  400    H    ARG  47           H        ARG  47  -5.082  12.690   4.754
  401    HA   ARG  47           HA       ARG  47  -5.203  15.467   5.245
  402   1HB   ARG  47          2HB       ARG  47  -5.051  13.526   6.899
  403   2HB   ARG  47          1HB       ARG  47  -3.337  13.544   6.477
  404   1HG   ARG  47          2HG       ARG  47  -3.050  15.749   7.332
  405   2HG   ARG  47          1HG       ARG  47  -4.786  15.890   7.649
  406   1HD   ARG  47          2HD       ARG  47  -2.892  13.939   8.910
  407   2HD   ARG  47          1HD       ARG  47  -3.590  15.369   9.695
  408    HE   ARG  47           HE       ARG  47  -5.698  13.865   8.757
  409   1HH1  ARG  47          1HH1      ARG  47  -3.114  13.377  11.163
  410   2HH1  ARG  47          2HH1      ARG  47  -4.019  12.291  12.087
  411   1HH2  ARG  47          1HH2      ARG  47  -6.922  12.347  10.082
  412   2HH2  ARG  47          2HH2      ARG  47  -6.176  11.713  11.476
  413    QB   ARG  47           QB       ARG  47  -4.194  13.535   6.688
  414    QG   ARG  47           QG       ARG  47  -3.918  15.820   7.491
  415    QD   ARG  47           QD       ARG  47  -3.241  14.654   9.302
  416    QH1  ARG  47           QH1      ARG  47  -3.567  12.834  11.625
  417    QH2  ARG  47           QH2      ARG  47  -6.549  12.030  10.779
  418    H    ALA  48           H        ALA  48  -2.472  13.304   4.475
  419    HA   ALA  48           HA       ALA  48  -0.810  15.571   4.329
  420   1HB   ALA  48          2HB       ALA  48   0.055  13.474   5.204
  421   2HB   ALA  48          3HB       ALA  48   1.006  14.077   3.843
  422   3HB   ALA  48          1HB       ALA  48  -0.114  12.727   3.610
  423    MB   ALA  48           QB       ALA  48   0.316  13.426   4.219
  424    H    GLN  49           H        GLN  49  -2.979  14.339   2.176
  425    HA   GLN  49           HA       GLN  49  -3.619  14.923   0.112
  426   1HB   GLN  49          2HB       GLN  49  -1.147  16.627   0.139
  427   2HB   GLN  49          1HB       GLN  49  -2.342  16.682  -1.185
  428   1HG   GLN  49          2HG       GLN  49  -3.682  17.924   0.084
  429   2HG   GLN  49          1HG       GLN  49  -3.342  16.798   1.440
  430   1HE2  GLN  49          1HE2      GLN  49  -1.901  17.284   2.933
  431   2HE2  GLN  49          2HE2      GLN  49  -0.958  18.709   3.010
  432    QB   GLN  49           QB       GLN  49  -1.745  16.654  -0.523
  433    QG   GLN  49           QG       GLN  49  -3.512  17.361   0.762
  434    QE   GLN  49           QE2      GLN  49  -1.429  17.996   2.971
  435    H    LEU  50           H        LEU  50  -1.976  12.828   0.809
  436    HA   LEU  50           HA       LEU  50  -0.421  12.028  -1.496
  437   1HB   LEU  50          2HB       LEU  50  -0.975  10.997   1.216
  438   2HB   LEU  50          1HB       LEU  50  -0.463   9.854  -0.007
  439    HG   LEU  50           HG       LEU  50   1.573  10.960  -0.307
  440   1HD1  LEU  50          1HD1      LEU  50   0.880  13.279  -0.097
  441   2HD1  LEU  50          3HD1      LEU  50   0.667  13.066   1.640
  442   3HD1  LEU  50          2HD1      LEU  50   2.274  12.945   0.922
  443   1HD2  LEU  50          2HD2      LEU  50   1.401   9.438   1.592
  444   2HD2  LEU  50          1HD2      LEU  50   2.613  10.711   1.845
  445   3HD2  LEU  50          3HD2      LEU  50   1.045  10.810   2.634
  446    MD1  LEU  50           QD1      LEU  50   1.274  13.097   0.822
  447    MD2  LEU  50           QD2      LEU  50   1.687  10.320   2.024
  448    QB   LEU  50           QB       LEU  50  -0.719  10.425   0.604
  449    QD   LEU  50           QQD      LEU  50   1.480  11.708   1.423
  450    H    THR  51           H        THR  51  -1.121  10.791  -3.099
  451    HA   THR  51           HA       THR  51  -3.731   9.529  -2.878
  452    HB   THR  51           HB       THR  51  -3.820   9.856  -5.354
  453    HG1  THR  51          1HG       THR  51  -1.879  10.201  -6.184
  454   1HG2  THR  51          3HG2      THR  51  -4.686  11.411  -3.722
  455   2HG2  THR  51          2HG2      THR  51  -3.122  12.279  -3.762
  456   3HG2  THR  51          1HG2      THR  51  -4.157  12.255  -5.205
  457    MG   THR  51           QG2      THR  51  -3.988  11.982  -4.230
  458    H    GLY  52           H        GLY  52  -3.849   7.427  -4.253
  459   1HA   GLY  52          1HA       GLY  52  -2.266   5.758  -2.745
  460   2HA   GLY  52          2HA       GLY  52  -1.435   5.950  -4.282
  461    QA   GLY  52           QA       GLY  52  -1.850   5.854  -3.513
  462    H    ALA  53           H        ALA  53  -1.850   3.655  -3.898
  463    HA   ALA  53           HA       ALA  53  -4.381   2.561  -4.187
  464   1HB   ALA  53          2HB       ALA  53  -4.257   3.362  -6.524
  465   2HB   ALA  53          3HB       ALA  53  -4.304   1.598  -6.442
  466   3HB   ALA  53          1HB       ALA  53  -2.780   2.430  -6.753
  467    MB   ALA  53           QB       ALA  53  -3.780   2.463  -6.573
  468    H    LEU  54           H        LEU  54  -4.369   0.268  -4.184
  469    HA   LEU  54           HA       LEU  54  -1.763  -0.910  -3.617
  470   1HB   LEU  54          2HB       LEU  54  -2.830  -0.114  -1.485
  471   2HB   LEU  54          1HB       LEU  54  -4.207  -1.102  -1.853
  472    HG   LEU  54           HG       LEU  54  -1.483  -2.326  -1.342
  473   1HD1  LEU  54          3HD1      LEU  54  -3.652  -1.579   0.513
  474   2HD1  LEU  54          2HD1      LEU  54  -2.460  -2.815   0.898
  475   3HD1  LEU  54          1HD1      LEU  54  -1.957  -1.123   0.616
  476   1HD2  LEU  54          2HD2      LEU  54  -4.270  -3.445  -1.154
  477   2HD2  LEU  54          1HD2      LEU  54  -3.109  -3.798  -2.433
  478   3HD2  LEU  54          3HD2      LEU  54  -2.768  -4.287  -0.773
  479    MD1  LEU  54           QD1      LEU  54  -2.689  -1.839   0.676
  480    MD2  LEU  54           QD2      LEU  54  -3.382  -3.843  -1.453
  481    QB   LEU  54           QB       LEU  54  -3.518  -0.608  -1.669
  482    QD   LEU  54           QQD      LEU  54  -3.036  -2.841  -0.389
  483    H    PHE  55           H        PHE  55  -1.562  -2.721  -4.641
  484    HA   PHE  55           HA       PHE  55  -3.936  -4.223  -5.452
  485   1HB   PHE  55          2HB       PHE  55  -1.110  -4.231  -6.559
  486   2HB   PHE  55          1HB       PHE  55  -2.378  -5.335  -7.068
  487    HD1  PHE  55          1HD       PHE  55  -4.311  -4.494  -8.321
  488    HD2  PHE  55          2HD       PHE  55  -1.028  -1.975  -7.348
  489    HE1  PHE  55          1HE       PHE  55  -5.054  -2.882 -10.005
  490    HE2  PHE  55          2HE       PHE  55  -1.767  -0.357  -9.043
  491    HZ   PHE  55           HZ       PHE  55  -3.781  -0.803 -10.369
  492    QB   PHE  55           QB       PHE  55  -1.744  -4.783  -6.813
  493    QD   PHE  55           QD       PHE  55  -2.669  -3.235  -7.834
  494    QE   PHE  55           QE       PHE  55  -3.410  -1.619  -9.524
  495    QR   PHE  55           QR       PHE  55  -3.188  -2.102  -9.017
  496    H    TYR  56           H        TYR  56  -4.111  -6.265  -4.668
  497    HA   TYR  56           HA       TYR  56  -1.884  -7.391  -3.219
  498   1HB   TYR  56          2HB       TYR  56  -3.223  -6.035  -1.601
  499   2HB   TYR  56          1HB       TYR  56  -4.651  -6.958  -1.969
  500    HD1  TYR  56          1HD       TYR  56  -2.639  -9.601  -1.971
  501    HD2  TYR  56          2HD       TYR  56  -3.705  -6.510   0.754
  502    HE1  TYR  56          1HE       TYR  56  -2.099 -11.091  -0.101
  503    HE2  TYR  56          2HE       TYR  56  -3.174  -8.007   2.646
  504    HH   TYR  56           HH       TYR  56  -3.024 -10.477   3.081
  505    QB   TYR  56           QB       TYR  56  -3.937  -6.497  -1.785
  506    QD   TYR  56           QD       TYR  56  -3.172  -8.056  -0.609
  507    QE   TYR  56           QE       TYR  56  -2.636  -9.549   1.272
  508    QR   TYR  56           QR       TYR  56  -2.904  -8.802   0.332
  509    H    SER  57           H        SER  57  -1.829  -9.390  -4.120
  510    HA   SER  57           HA       SER  57  -4.303 -10.831  -4.595
  511   1HB   SER  57          2HB       SER  57  -3.528 -11.363  -6.928
  512   2HB   SER  57          1HB       SER  57  -4.033  -9.689  -6.684
  513    HG   SER  57           HG       SER  57  -1.335 -10.440  -6.371
  514    QB   SER  57           QB       SER  57  -3.781 -10.526  -6.806
  515    H    GLN  58           H        GLN  58  -4.030 -13.029  -4.454
  516    HA   GLN  58           HA       GLN  58  -3.176 -14.977  -3.941
  517   1HB   GLN  58          2HB       GLN  58  -2.015 -14.692  -6.099
  518   2HB   GLN  58          1HB       GLN  58  -0.663 -13.932  -5.288
  519   1HG   GLN  58          2HG       GLN  58  -0.194 -16.246  -5.893
  520   2HG   GLN  58          1HG       GLN  58  -0.175 -16.006  -4.147
  521   1HE2  GLN  58          1HE2      GLN  58  -0.486 -18.166  -3.846
  522   2HE2  GLN  58          2HE2      GLN  58  -2.029 -18.920  -4.056
  523    QB   GLN  58           QB       GLN  58  -1.339 -14.312  -5.693
  524    QG   GLN  58           QG       GLN  58  -0.185 -16.126  -5.020
  525    QE   GLN  58           QE2      GLN  58  -1.257 -18.543  -3.951
  526    H    GLY  59           H        GLY  59  -0.093 -13.347  -3.476
  527   1HA   GLY  59          1HA       GLY  59   0.783 -14.331  -1.163
  528   2HA   GLY  59          2HA       GLY  59  -0.459 -13.204  -0.613
  529    QA   GLY  59           QA       GLY  59   0.162 -13.767  -0.888
  530    H    VAL  60           H        VAL  60   0.091 -11.518  -3.056
  531    HA   VAL  60           HA       VAL  60   2.545 -10.364  -2.040
  532    HB   VAL  60           HB       VAL  60   3.251  -9.680  -4.285
  533   1HG1  VAL  60          3HG1      VAL  60   4.141 -11.730  -3.358
  534   2HG1  VAL  60          2HG1      VAL  60   2.820 -12.644  -4.089
  535   3HG1  VAL  60          1HG1      VAL  60   3.999 -11.828  -5.116
  536   1HG2  VAL  60          2HG2      VAL  60   0.939 -11.352  -5.280
  537   2HG2  VAL  60          1HG2      VAL  60   1.095  -9.605  -5.428
  538   3HG2  VAL  60          3HG2      VAL  60   2.207 -10.664  -6.297
  539    MG1  VAL  60           QG1      VAL  60   3.654 -12.067  -4.188
  540    MG2  VAL  60           QG2      VAL  60   1.414 -10.540  -5.669
  541    QG   VAL  60           QQG      VAL  60   2.534 -11.304  -4.928
  542    H    PHE  61           H        PHE  61   2.646  -8.372  -1.809
  543    HA   PHE  61           HA       PHE  61   0.300  -6.637  -2.118
  544   1HB   PHE  61          2HB       PHE  61   2.623  -6.925  -0.465
  545   2HB   PHE  61          1HB       PHE  61   2.348  -5.261  -0.963
  546    HD1  PHE  61          1HD       PHE  61   2.227  -7.201   1.634
  547    HD2  PHE  61          2HD       PHE  61  -0.509  -4.984  -0.731
  548    HE1  PHE  61          1HE       PHE  61   0.802  -6.894   3.582
  549    HE2  PHE  61          2HE       PHE  61  -1.946  -4.697   1.225
  550    HZ   PHE  61           HZ       PHE  61  -1.225  -5.615   3.393
  551    QB   PHE  61           QB       PHE  61   2.485  -6.093  -0.714
  552    QD   PHE  61           QD       PHE  61   0.859  -6.092   0.451
  553    QE   PHE  61           QE       PHE  61  -0.572  -5.796   2.403
  554    QR   PHE  61           QR       PHE  61  -0.130  -5.878   1.820
  555    H    PHE  62           H        PHE  62   0.403  -4.970  -3.622
  556    HA   PHE  62           HA       PHE  62   3.016  -3.867  -4.039
  557   1HB   PHE  62          2HB       PHE  62   2.435  -5.086  -6.162
  558   2HB   PHE  62          1HB       PHE  62   0.988  -4.089  -6.301
  559    HD1  PHE  62          1HD       PHE  62   4.662  -4.067  -6.420
  560    HD2  PHE  62          2HD       PHE  62   1.114  -1.810  -7.059
  561    HE1  PHE  62          1HE       PHE  62   5.977  -2.323  -7.546
  562    HE2  PHE  62          2HE       PHE  62   2.427  -0.063  -8.189
  563    HZ   PHE  62           HZ       PHE  62   4.858  -0.320  -8.433
  564    QB   PHE  62           QB       PHE  62   1.711  -4.588  -6.231
  565    QD   PHE  62           QD       PHE  62   2.888  -2.938  -6.740
  566    QE   PHE  62           QE       PHE  62   4.202  -1.193  -7.867
  567    QR   PHE  62           QR       PHE  62   3.808  -1.716  -7.529
  568    H    GLN  63           H        GLN  63   2.937  -1.816  -3.321
  569    HA   GLN  63           HA       GLN  63   0.381  -0.381  -3.460
  570   1HB   GLN  63          2HB       GLN  63   0.742  -1.679  -1.245
  571   2HB   GLN  63          1HB       GLN  63   2.008  -0.521  -0.923
  572   1HG   GLN  63          2HG       GLN  63  -0.861   0.249  -1.414
  573   2HG   GLN  63          1HG       GLN  63  -0.224  -0.116   0.176
  574   1HE2  GLN  63          1HE2      GLN  63   2.325   1.311  -0.410
  575   2HE2  GLN  63          2HE2      GLN  63   1.879   2.988  -0.380
  576    QB   GLN  63           QB       GLN  63   1.375  -1.100  -1.084
  577    QG   GLN  63           QG       GLN  63  -0.543   0.066  -0.619
  578    QE   GLN  63           QE2      GLN  63   2.102   2.149  -0.395
  579    H    TRP  64           H        TRP  64   0.747   1.759  -3.939
  580    HA   TRP  64           HA       TRP  64   3.309   2.763  -3.189
  581   1HB   TRP  64          2HB       TRP  64   3.914   3.652  -5.295
  582   2HB   TRP  64          1HB       TRP  64   3.467   1.957  -5.577
  583    HD1  TRP  64           HD       TRP  64   3.356   5.180  -7.023
  584    HE1  TRP  64          1HE       TRP  64   1.577   5.394  -8.783
  585    HE3  TRP  64          3HE       TRP  64   0.571   1.100  -5.798
  586    HZ2  TRP  64          2HZ       TRP  64  -0.768   4.022  -9.590
  587    HZ3  TRP  64          3HZ       TRP  64  -1.474   0.662  -7.092
  588    HH2  TRP  64           HH       TRP  64  -2.098   2.074  -8.965
  589    QB   TRP  64           QB       TRP  64   3.691   2.804  -5.436
  590    H    LEU  65           H        LEU  65   3.299   5.222  -3.523
  591    HA   LEU  65           HA       LEU  65   0.644   6.357  -3.488
  592   1HB   LEU  65          2HB       LEU  65   1.058   7.591  -1.414
  593   2HB   LEU  65          1HB       LEU  65   0.948   5.866  -1.160
  594    HG   LEU  65           HG       LEU  65   3.589   7.176  -1.456
  595   1HD1  LEU  65          3HD1      LEU  65   1.876   6.985   1.021
  596   2HD1  LEU  65          2HD1      LEU  65   3.605   7.378   1.047
  597   3HD1  LEU  65          1HD1      LEU  65   2.458   8.450   0.238
  598   1HD2  LEU  65          1HD2      LEU  65   3.544   4.736  -1.435
  599   2HD2  LEU  65          3HD2      LEU  65   4.328   5.341   0.025
  600   3HD2  LEU  65          2HD2      LEU  65   2.664   4.751   0.093
  601    MD1  LEU  65           QD1      LEU  65   2.647   7.604   0.769
  602    MD2  LEU  65           QD2      LEU  65   3.512   4.943  -0.439
  603    QB   LEU  65           QB       LEU  65   1.003   6.729  -1.287
  604    QD   LEU  65           QQD      LEU  65   3.079   6.273   0.165
  605    H    GLU  66           H        GLU  66   0.540   8.431  -4.025
  606    HA   GLU  66           HA       GLU  66   2.947   9.701  -5.168
  607   1HB   GLU  66          2HB       GLU  66   0.058  10.519  -5.448
  608   2HB   GLU  66          1HB       GLU  66   1.408  10.968  -6.457
  609   1HG   GLU  66          2HG       GLU  66   1.433   8.796  -7.480
  610   2HG   GLU  66          1HG       GLU  66   0.168   8.233  -6.373
  611    QB   GLU  66           QB       GLU  66   0.733  10.744  -5.952
  612    QG   GLU  66           QG       GLU  66   0.801   8.514  -6.926
  613    H    GLY  67           H        GLY  67   3.701  11.351  -3.831
  614   1HA   GLY  67          1HA       GLY  67   2.597  12.155  -1.452
  615   2HA   GLY  67          2HA       GLY  67   1.851  13.162  -2.693
  616    QA   GLY  67           QA       GLY  67   2.224  12.659  -2.073
  617    H    HIS  68           H        HIS  68   3.200  14.750  -1.127
  618    HA   HIS  68           HA       HIS  68   5.616  15.529  -2.450
  619   1HB   HIS  68          2HB       HIS  68   4.347  17.281  -1.324
  620   2HB   HIS  68          1HB       HIS  68   4.363  16.404   0.178
  621    HD1  HIS  68          1HD       HIS  68   6.236  16.752   1.747
  622    HD2  HIS  68          2HD       HIS  68   6.597  18.453  -1.907
  623    HE1  HIS  68          1HE       HIS  68   8.362  17.999   1.960
  624    HE2  HIS  68          2HE       HIS  68   8.280  19.485  -0.114
  625    QB   HIS  68           QB       HIS  68   4.355  16.842  -0.573
  626    HA   PRO  69           HA       PRO  69   8.567  12.491  -1.237
  627   1HB   PRO  69          2HB       PRO  69  10.490  14.401  -0.260
  628   2HB   PRO  69          1HB       PRO  69  10.515  13.479  -1.759
  629   1HG   PRO  69          2HG       PRO  69   9.575  16.239  -1.282
  630   2HG   PRO  69          1HG       PRO  69  10.118  15.480  -2.790
  631   1HD   PRO  69          2HD       PRO  69   7.561  16.096  -2.377
  632   2HD   PRO  69          1HD       PRO  69   8.004  14.610  -3.242
  633    QB   PRO  69           QB       PRO  69  10.503  13.940  -1.010
  634    QG   PRO  69           QG       PRO  69   9.846  15.859  -2.036
  635    QD   PRO  69           QD       PRO  69   7.782  15.353  -2.809
  636    H    ALA  70           H        ALA  70   8.605  15.041   1.263
  637    HA   ALA  70           HA       ALA  70   9.413  13.106   3.172
  638   1HB   ALA  70          1HB       ALA  70  10.086  15.391   3.455
  639   2HB   ALA  70          2HB       ALA  70   9.127  14.797   4.842
  640   3HB   ALA  70          3HB       ALA  70   8.377  15.849   3.606
  641    MB   ALA  70           QB       ALA  70   9.197  15.346   3.968
  642    H    ALA  71           H        ALA  71   6.342  14.110   2.203
  643    HA   ALA  71           HA       ALA  71   5.003  13.148   4.499
  644   1HB   ALA  71          1HB       ALA  71   4.230  13.289   1.661
  645   2HB   ALA  71          3HB       ALA  71   3.076  12.991   2.961
  646   3HB   ALA  71          2HB       ALA  71   3.924  14.562   2.876
  647    MB   ALA  71           QB       ALA  71   3.743  13.614   2.500
  648    H    VAL  72           H        VAL  72   5.886  11.938   1.392
  649    HA   VAL  72           HA       VAL  72   4.848   9.311   1.452
  650    HB   VAL  72           HB       VAL  72   7.478   9.817   0.142
  651   1HG1  VAL  72          3HG1      VAL  72   6.336   7.737  -0.152
  652   2HG1  VAL  72          2HG1      VAL  72   4.942   8.662  -0.762
  653   3HG1  VAL  72          1HG1      VAL  72   6.472   8.657  -1.684
  654   1HG2  VAL  72          3HG2      VAL  72   4.953  11.140  -0.778
  655   2HG2  VAL  72          2HG2      VAL  72   6.485  11.883  -0.256
  656   3HG2  VAL  72          1HG2      VAL  72   6.429  10.946  -1.750
  657    MG1  VAL  72           QG1      VAL  72   5.917   8.352  -0.866
  658    MG2  VAL  72           QG2      VAL  72   5.955  11.323  -0.928
  659    QG   VAL  72           QQG      VAL  72   5.936   9.838  -0.897
  660    H    ALA  73           H        ALA  73   7.917  10.702   2.430
  661    HA   ALA  73           HA       ALA  73   9.062   8.238   3.212
  662   1HB   ALA  73          3HB       ALA  73   9.842  10.988   3.984
  663   2HB   ALA  73          2HB       ALA  73  10.730   9.420   4.184
  664   3HB   ALA  73          1HB       ALA  73  10.406  10.061   2.553
  665    MB   ALA  73           QB       ALA  73  10.326  10.156   3.574
  666    H    GLU  74           H        GLU  74   7.385  10.764   4.976
  667    HA   GLU  74           HA       GLU  74   7.784   9.701   7.571
  668   1HB   GLU  74          2HB       GLU  74   6.912  11.977   7.224
  669   2HB   GLU  74          1HB       GLU  74   5.496  11.338   6.418
  670   1HG   GLU  74          2HG       GLU  74   5.834  10.329   9.135
  671   2HG   GLU  74          1HG       GLU  74   5.654  12.083   9.049
  672    QB   GLU  74           QB       GLU  74   6.204  11.657   6.821
  673    QG   GLU  74           QG       GLU  74   5.744  11.206   9.092
  674    H    VAL  75           H        VAL  75   5.395   9.185   5.110
  675    HA   VAL  75           HA       VAL  75   4.000   7.133   6.337
  676    HB   VAL  75           HB       VAL  75   4.489   7.861   3.436
  677   1HG1  VAL  75          2HG1      VAL  75   4.143   5.445   3.561
  678   2HG1  VAL  75          1HG1      VAL  75   2.633   5.718   4.446
  679   3HG1  VAL  75          3HG1      VAL  75   2.804   6.296   2.781
  680   1HG2  VAL  75          3HG2      VAL  75   3.108   9.355   4.741
  681   2HG2  VAL  75          2HG2      VAL  75   2.146   8.513   3.529
  682   3HG2  VAL  75          1HG2      VAL  75   2.073   8.012   5.219
  683    MG1  VAL  75           QG1      VAL  75   3.193   5.820   3.596
  684    MG2  VAL  75           QG2      VAL  75   2.443   8.626   4.497
  685    QG   VAL  75           QQG      VAL  75   2.818   7.223   4.046
  686    H    MET  76           H        MET  76   6.817   6.843   3.950
  687    HA   MET  76           HA       MET  76   7.249   4.200   4.085
  688   1HB   MET  76          2HB       MET  76   9.246   6.384   4.159
  689   2HB   MET  76          1HB       MET  76   9.672   4.774   3.718
  690   1HG   MET  76          2HG       MET  76   7.655   6.348   2.211
  691   2HG   MET  76          1HG       MET  76   9.366   6.463   1.814
  692   1HE   MET  76          1HE       MET  76   6.196   4.426   1.958
  693   2HE   MET  76          3HE       MET  76   6.523   2.965   1.005
  694   3HE   MET  76          2HE       MET  76   7.222   3.111   2.620
  695    QB   MET  76           QB       MET  76   9.459   5.579   3.939
  696    QG   MET  76           QG       MET  76   8.510   6.406   2.013
  697    ME   MET  76           QE       MET  76   6.647   3.500   1.861
  698    H    SER  77           H        SER  77   8.661   6.578   6.350
  699    HA   SER  77           HA       SER  77  10.105   4.700   7.857
  700   1HB   SER  77          2HB       SER  77  10.395   7.185   7.959
  701   2HB   SER  77          1HB       SER  77   8.899   7.265   8.899
  702    HG   SER  77           HG       SER  77   9.964   6.712  10.580
  703    QB   SER  77           QB       SER  77   9.647   7.225   8.429
  704    H    HIS  78           H        HIS  78   6.771   5.768   8.322
  705    HA   HIS  78           HA       HIS  78   6.316   4.207  10.645
  706   1HB   HIS  78          2HB       HIS  78   4.443   5.171   8.479
  707   2HB   HIS  78          1HB       HIS  78   3.867   4.098   9.739
  708    HD1  HIS  78          1HD       HIS  78   4.933   7.660   9.129
  709    HD2  HIS  78          2HD       HIS  78   3.488   5.299  12.245
  710    HE1  HIS  78          1HE       HIS  78   4.271   9.251  10.927
  711    HE2  HIS  78          2HE       HIS  78   3.480   7.811  12.840
  712    QB   HIS  78           QB       HIS  78   4.155   4.635   9.109
  713    H    ILE  79           H        ILE  79   5.697   3.467   7.258
  714    HA   ILE  79           HA       ILE  79   4.684   0.875   7.858
  715    HB   ILE  79           HB       ILE  79   5.558   1.626   5.089
  716   1HG1  ILE  79          2HG1      ILE  79   3.022   2.546   6.460
  717   2HG1  ILE  79          1HG1      ILE  79   4.365   3.560   5.930
  718   1HG2  ILE  79          3HG2      ILE  79   4.538  -0.610   5.800
  719   2HG2  ILE  79          2HG2      ILE  79   3.080   0.299   6.195
  720   3HG2  ILE  79          1HG2      ILE  79   3.629   0.237   4.529
  721   1HD1  ILE  79          1HD1      ILE  79   2.648   1.894   4.120
  722   2HD1  ILE  79          3HD1      ILE  79   2.493   3.630   4.366
  723   3HD1  ILE  79          2HD1      ILE  79   3.955   2.976   3.623
  724    MG   ILE  79           QG2      ILE  79   3.749  -0.025   5.508
  725    MD   ILE  79           QD1      ILE  79   3.032   2.833   4.036
  726    QG   ILE  79           QG1      ILE  79   3.693   3.053   6.195
  727    H    GLN  80           H        GLN  80   7.898   2.042   6.990
  728    HA   GLN  80           HA       GLN  80   8.864  -0.437   5.999
  729   1HB   GLN  80          2HB       GLN  80  10.471   1.910   6.987
  730   2HB   GLN  80          1HB       GLN  80  11.148   0.488   6.216
  731   1HG   GLN  80          2HG       GLN  80   9.390   2.602   4.995
  732   2HG   GLN  80          1HG       GLN  80  11.028   2.148   4.506
  733   1HE2  GLN  80          1HE2      GLN  80   7.762   1.682   4.363
  734   2HE2  GLN  80          2HE2      GLN  80   7.771   0.540   3.065
  735    QB   GLN  80           QB       GLN  80  10.810   1.199   6.602
  736    QG   GLN  80           QG       GLN  80  10.209   2.375   4.751
  737    QE   GLN  80           QE2      GLN  80   7.766   1.111   3.714
  738    H    ARG  81           H        ARG  81   8.377   0.653   9.167
  739    HA   ARG  81           HA       ARG  81  10.259  -0.876  10.551
  740   1HB   ARG  81          2HB       ARG  81   7.352  -0.531  11.381
  741   2HB   ARG  81          1HB       ARG  81   8.727  -0.923  12.416
  742   1HG   ARG  81          2HG       ARG  81   9.729   1.172  11.955
  743   2HG   ARG  81          1HG       ARG  81   8.359   1.648  10.942
  744   1HD   ARG  81          2HD       ARG  81   6.902   1.309  12.956
  745   2HD   ARG  81          1HD       ARG  81   8.371   1.063  13.902
  746    HE   ARG  81           HE       ARG  81   7.368   3.516  12.770
  747   1HH1  ARG  81          1HH1      ARG  81  10.028   1.934  14.486
  748   2HH1  ARG  81          2HH1      ARG  81  10.792   3.368  14.971
  749   1HH2  ARG  81          1HH2      ARG  81   8.418   5.527  13.453
  750   2HH2  ARG  81          2HH2      ARG  81   9.864   5.476  14.346
  751    QB   ARG  81           QB       ARG  81   8.040  -0.727  11.899
  752    QG   ARG  81           QG       ARG  81   9.044   1.410  11.449
  753    QD   ARG  81           QD       ARG  81   7.636   1.186  13.429
  754    QH1  ARG  81           QH1      ARG  81  10.410   2.651  14.729
  755    QH2  ARG  81           QH2      ARG  81   9.141   5.501  13.899
  756    H    ASP  82           H        ASP  82   7.397  -1.799   8.912
  757    HA   ASP  82           HA       ASP  82   6.343  -3.616   8.489
  758   1HB   ASP  82          2HB       ASP  82   7.275  -3.924   6.808
  759   2HB   ASP  82          1HB       ASP  82   8.953  -4.025   7.260
  760    QB   ASP  82           QB       ASP  82   8.114  -3.975   7.034
  761    H    ARG  83           H        ARG  83   5.238  -4.961   8.934
  762    HA   ARG  83           HA       ARG  83   5.711  -6.994  10.817
  763   1HB   ARG  83          2HB       ARG  83   4.268  -5.853  12.594
  764   2HB   ARG  83          1HB       ARG  83   5.928  -5.289  12.433
  765   1HG   ARG  83          2HG       ARG  83   5.047  -3.508  10.925
  766   2HG   ARG  83          1HG       ARG  83   3.425  -3.943  11.445
  767   1HD   ARG  83          2HD       ARG  83   5.681  -2.915  13.189
  768   2HD   ARG  83          1HD       ARG  83   4.156  -2.112  12.854
  769    HE   ARG  83           HE       ARG  83   4.067  -4.686  14.247
  770   1HH1  ARG  83          1HH1      ARG  83   3.686  -1.176  14.426
  771   2HH1  ARG  83          2HH1      ARG  83   2.997  -1.171  15.969
  772   1HH2  ARG  83          1HH2      ARG  83   3.179  -4.700  16.414
  773   2HH2  ARG  83          2HH2      ARG  83   2.731  -3.230  17.149
  774    QB   ARG  83           QB       ARG  83   5.098  -5.571  12.514
  775    QG   ARG  83           QG       ARG  83   4.236  -3.726  11.185
  776    QD   ARG  83           QD       ARG  83   4.919  -2.513  13.022
  777    QH1  ARG  83           QH1      ARG  83   3.342  -1.173  15.198
  778    QH2  ARG  83           QH2      ARG  83   2.955  -3.965  16.782
  779    H    ARG  84           H        ARG  84   3.374  -4.683   9.381
  780    HA   ARG  84           HA       ARG  84   1.438  -6.846   9.251
  781   1HB   ARG  84          2HB       ARG  84   1.203  -4.040   9.644
  782   2HB   ARG  84          1HB       ARG  84   0.461  -4.472   8.092
  783   1HG   ARG  84          2HG       ARG  84  -1.213  -4.526   9.833
  784   2HG   ARG  84          1HG       ARG  84  -0.920  -6.147   9.199
  785   1HD   ARG  84          2HD       ARG  84  -1.096  -6.357  11.539
  786   2HD   ARG  84          1HD       ARG  84   0.626  -6.482  11.178
  787    HE   ARG  84           HE       ARG  84   0.528  -3.919  11.800
  788   1HH1  ARG  84          1HH1      ARG  84  -1.148  -6.618  13.423
  789   2HH1  ARG  84          2HH1      ARG  84  -1.347  -5.758  14.878
  790   1HH2  ARG  84          1HH2      ARG  84   0.353  -2.869  13.810
  791   2HH2  ARG  84          2HH2      ARG  84  -0.427  -3.590  15.127
  792    QB   ARG  84           QB       ARG  84   0.832  -4.256   8.868
  793    QG   ARG  84           QG       ARG  84  -1.067  -5.337   9.516
  794    QD   ARG  84           QD       ARG  84  -0.235  -6.419  11.358
  795    QH1  ARG  84           QH1      ARG  84  -1.247  -6.188  14.150
  796    QH2  ARG  84           QH2      ARG  84  -0.037  -3.229  14.469
  797    H    HIS  85           H        HIS  85   3.762  -6.932   7.580
  798    HA   HIS  85           HA       HIS  85   2.607  -7.896   5.366
  799   1HB   HIS  85          2HB       HIS  85   4.074  -6.499   3.683
  800   2HB   HIS  85          1HB       HIS  85   2.497  -5.904   4.123
  801    HD1  HIS  85          1HD       HIS  85   3.250  -3.536   3.343
  802    HD2  HIS  85          2HD       HIS  85   5.572  -4.961   6.508
  803    HE1  HIS  85          1HE       HIS  85   4.627  -1.678   4.196
  804    HE2  HIS  85          2HE       HIS  85   5.565  -2.520   6.339
  805    QB   HIS  85           QB       HIS  85   3.286  -6.201   3.903
  806    H    SER  86           H        SER  86   4.880  -8.214   3.756
  807    HA   SER  86           HA       SER  86   6.370  -9.729   5.737
  808   1HB   SER  86          2HB       SER  86   4.919 -10.221   3.588
  809   2HB   SER  86          1HB       SER  86   6.598 -10.731   3.227
  810    HG   SER  86           HG       SER  86   6.467 -11.888   5.303
  811    QB   SER  86           QB       SER  86   5.759 -10.476   3.408
  812    H    ASN  87           H        ASN  87   7.040  -7.099   4.222
  813    HA   ASN  87           HA       ASN  87   9.740  -7.627   3.565
  814   1HB   ASN  87          2HB       ASN  87   8.671  -8.861   1.681
  815   2HB   ASN  87          1HB       ASN  87   8.003  -7.343   1.153
  816   1HD2  ASN  87          1HD2      ASN  87  11.294  -7.902   2.361
  817   2HD2  ASN  87          2HD2      ASN  87  12.022  -7.528   0.858
  818    QB   ASN  87           QB       ASN  87   8.337  -8.102   1.417
  819    QD   ASN  87           QD2      ASN  87  11.658  -7.715   1.610
  820    H    VAL  88           H        VAL  88   7.334  -5.781   2.436
  821    HA   VAL  88           HA       VAL  88   7.414  -3.953   1.215
  822    HB   VAL  88           HB       VAL  88   6.481  -3.466   3.227
  823   1HG1  VAL  88          2HG1      VAL  88   8.133  -3.794   4.695
  824   2HG1  VAL  88          1HG1      VAL  88   9.045  -2.313   4.158
  825   3HG1  VAL  88          3HG1      VAL  88   7.411  -2.148   4.888
  826   1HG2  VAL  88          1HG2      VAL  88   6.402  -1.777   1.590
  827   2HG2  VAL  88          3HG2      VAL  88   6.563  -1.026   3.180
  828   3HG2  VAL  88          2HG2      VAL  88   7.976  -1.167   2.101
  829    MG1  VAL  88           QG1      VAL  88   8.196  -2.752   4.580
  830    MG2  VAL  88           QG2      VAL  88   6.980  -1.323   2.290
  831    QG   VAL  88           QQG      VAL  88   7.588  -2.037   3.435
  832    H    GLU  89           H        GLU  89   8.886  -4.399  -0.188
  833    HA   GLU  89           HA       GLU  89  11.070  -2.599   0.150
  834   1HB   GLU  89          2HB       GLU  89  11.008  -5.154  -1.290
  835   2HB   GLU  89          1HB       GLU  89  12.068  -3.876  -1.875
  836   1HG   GLU  89          2HG       GLU  89  12.071  -4.973   0.932
  837   2HG   GLU  89          1HG       GLU  89  13.155  -5.312  -0.430
  838    QB   GLU  89           QB       GLU  89  11.538  -4.515  -1.582
  839    QG   GLU  89           QG       GLU  89  12.613  -5.142   0.251
  840    H    ILE  90           H        ILE  90  10.559  -1.072  -0.353
  841    HA   ILE  90           HA       ILE  90   8.946   0.132  -2.373
  842    HB   ILE  90           HB       ILE  90  11.544   1.432  -1.597
  843   1HG1  ILE  90          2HG1      ILE  90  10.864   0.446   0.496
  844   2HG1  ILE  90          1HG1      ILE  90  10.636   2.185   0.545
  845   1HG2  ILE  90          1HG2      ILE  90   9.911   2.770  -2.963
  846   2HG2  ILE  90          3HG2      ILE  90   8.713   2.509  -1.678
  847   3HG2  ILE  90          2HG2      ILE  90  10.116   3.448  -1.334
  848   1HD1  ILE  90          3HD1      ILE  90   8.282   1.880   0.101
  849   2HD1  ILE  90          2HD1      ILE  90   8.530   0.129   0.100
  850   3HD1  ILE  90          1HD1      ILE  90   8.799   1.059   1.582
  851    MG   ILE  90           QG2      ILE  90   9.580   2.909  -1.992
  852    MD   ILE  90           QD1      ILE  90   8.537   1.023   0.594
  853    QG   ILE  90           QG1      ILE  90  10.750   1.316   0.520
  854    H    LEU  91           H        LEU  91  12.294   0.262  -2.563
  855    HA   LEU  91           HA       LEU  91  13.826  -0.003  -4.223
  856   1HB   LEU  91          2HB       LEU  91  11.768  -1.765  -5.545
  857   2HB   LEU  91          1HB       LEU  91  13.452  -1.656  -6.014
  858    HG   LEU  91           HG       LEU  91  12.426  -2.666  -3.383
  859   1HD1  LEU  91          3HD1      LEU  91  11.925  -4.203  -5.220
  860   2HD1  LEU  91          2HD1      LEU  91  13.612  -4.153  -5.727
  861   3HD1  LEU  91          1HD1      LEU  91  13.180  -4.868  -4.175
  862   1HD2  LEU  91          2HD2      LEU  91  15.229  -2.588  -4.492
  863   2HD2  LEU  91          1HD2      LEU  91  14.607  -1.647  -3.136
  864   3HD2  LEU  91          3HD2      LEU  91  14.741  -3.398  -3.000
  865    MD1  LEU  91           QD1      LEU  91  12.906  -4.408  -5.041
  866    MD2  LEU  91           QD2      LEU  91  14.859  -2.545  -3.543
  867    QB   LEU  91           QB       LEU  91  12.610  -1.711  -5.780
  868    QD   LEU  91           QQD      LEU  91  13.882  -3.476  -4.292
  869    H    ALA  92           H        ALA  92  10.756   1.338  -4.954
  870    HA   ALA  92           HA       ALA  92  12.143   2.805  -7.095
  871   1HB   ALA  92          3HB       ALA  92  10.573   1.276  -8.158
  872   2HB   ALA  92          1HB       ALA  92  10.065   2.959  -8.345
  873   3HB   ALA  92          2HB       ALA  92   9.272   1.923  -7.153
  874    MB   ALA  92           QB       ALA  92   9.970   2.053  -7.885
  875    H    GLU  93           H        GLU  93  12.424   4.773  -6.369
  876    HA   GLU  93           HA       GLU  93  10.112   6.163  -5.259
  877   1HB   GLU  93          2HB       GLU  93  12.952   6.557  -4.229
  878   2HB   GLU  93          1HB       GLU  93  11.454   7.291  -3.661
  879   1HG   GLU  93          2HG       GLU  93  10.645   5.334  -2.837
  880   2HG   GLU  93          1HG       GLU  93  12.033   4.403  -3.441
  881    QB   GLU  93           QB       GLU  93  12.203   6.924  -3.945
  882    QG   GLU  93           QG       GLU  93  11.339   4.868  -3.139
  883    H    GLU  94           H        GLU  94   9.697   7.590  -6.752
  884    HA   GLU  94           HA       GLU  94  11.915   9.086  -7.909
  885   1HB   GLU  94          2HB       GLU  94  10.763   8.918 -10.143
  886   2HB   GLU  94          1HB       GLU  94  11.579   7.461  -9.574
  887   1HG   GLU  94          2HG       GLU  94   9.310   6.688  -8.778
  888   2HG   GLU  94          1HG       GLU  94   8.631   8.054  -9.663
  889    QB   GLU  94           QB       GLU  94  11.171   8.189  -9.859
  890    QG   GLU  94           QG       GLU  94   8.970   7.371  -9.220
  891    H    SER  95           H        SER  95  11.455  11.130  -8.652
  892    HA   SER  95           HA       SER  95   9.393  12.522  -7.291
  893   1HB   SER  95          2HB       SER  95  11.240  13.495  -9.478
  894   2HB   SER  95          1HB       SER  95  10.410  14.464  -8.258
  895    HG   SER  95           HG       SER  95  11.776  13.797  -6.733
  896    QB   SER  95           QB       SER  95  10.825  13.980  -8.868
  897    H    ILE  96           H        ILE  96   7.444  12.775  -7.984
  898    HA   ILE  96           HA       ILE  96   6.910  12.478 -10.863
  899    HB   ILE  96           HB       ILE  96   4.769  11.659 -10.407
  900   1HG1  ILE  96          2HG1      ILE  96   5.579  11.070  -7.589
  901   2HG1  ILE  96          1HG1      ILE  96   4.816  12.606  -7.946
  902   1HG2  ILE  96          1HG2      ILE  96   6.591  10.169 -10.934
  903   2HG2  ILE  96          3HG2      ILE  96   7.063  10.085  -9.243
  904   3HG2  ILE  96          2HG2      ILE  96   5.537   9.368  -9.769
  905   1HD1  ILE  96          3HD1      ILE  96   3.636   9.906  -8.501
  906   2HD1  ILE  96          2HD1      ILE  96   3.241  11.030  -7.165
  907   3HD1  ILE  96          1HD1      ILE  96   2.967  11.503  -8.839
  908    MG   ILE  96           QG2      ILE  96   6.397   9.874  -9.982
  909    MD   ILE  96           QD1      ILE  96   3.281  10.813  -8.168
  910    QG   ILE  96           QG1      ILE  96   5.198  11.838  -7.767
  911    H    ALA  97           H        ALA  97   4.570  13.152 -11.385
  912    HA   ALA  97           HA       ALA  97   4.303  15.918 -10.524
  913   1HB   ALA  97          3HB       ALA  97   4.553  15.423 -12.945
  914   2HB   ALA  97          1HB       ALA  97   3.039  16.278 -12.521
  915   3HB   ALA  97          2HB       ALA  97   3.011  14.540 -12.786
  916    MB   ALA  97           QB       ALA  97   3.534  15.414 -12.751
  917    H    LYS  98           H        LYS  98   3.207  13.225  -9.791
  918    HA   LYS  98           HA       LYS  98   1.329  12.178  -8.967
  919   1HB   LYS  98          2HB       LYS  98   2.104  13.990  -7.527
  920   2HB   LYS  98          1HB       LYS  98   0.762  14.928  -8.141
  921   1HG   LYS  98          2HG       LYS  98  -0.142  12.392  -7.273
  922   2HG   LYS  98          1HG       LYS  98   1.028  13.051  -6.216
  923   1HD   LYS  98          2HD       LYS  98  -0.865  15.068  -6.864
  924   2HD   LYS  98          1HD       LYS  98  -1.556  13.718  -5.908
  925   1HE   LYS  98          2HE       LYS  98   0.313  13.822  -4.551
  926   2HE   LYS  98          1HE       LYS  98   0.924  15.235  -5.420
  927   1HZ   LYS  98          3HZ       LYS  98  -1.138  16.463  -4.734
  928   2HZ   LYS  98          2HZ       LYS  98  -1.602  15.138  -3.777
  929   3HZ   LYS  98          1HZ       LYS  98  -0.228  16.003  -3.404
  930    QB   LYS  98           QB       LYS  98   1.433  14.459  -7.834
  931    QD   LYS  98           QD       LYS  98  -1.211  14.393  -6.386
  932    QG   LYS  98           QG       LYS  98   0.443  12.722  -6.744
  933    QE   LYS  98           QE       LYS  98   0.618  14.529  -4.986
  934    QZ   LYS  98           QZ       LYS  98  -0.989  15.868  -3.972
  935    H    ARG  99           H        ARG  99  -1.090  12.689  -8.645
  936    HA   ARG  99           HA       ARG  99  -3.148  13.230  -9.369
  937   1HB   ARG  99          2HB       ARG  99  -2.154  15.325 -10.399
  938   2HB   ARG  99          1HB       ARG  99  -1.901  14.432 -11.873
  939   1HG   ARG  99          2HG       ARG  99  -3.896  15.813 -12.059
  940   2HG   ARG  99          1HG       ARG  99  -4.347  14.103 -12.060
  941   1HD   ARG  99          2HD       ARG  99  -4.914  14.237  -9.699
  942   2HD   ARG  99          1HD       ARG  99  -4.422  15.931  -9.668
  943    HE   ARG  99           HE       ARG  99  -6.437  15.443 -11.606
  944   1HH1  ARG  99          1HH1      ARG  99  -5.926  15.851  -8.137
  945   2HH1  ARG  99          2HH1      ARG  99  -7.491  16.447  -7.820
  946   1HH2  ARG  99          1HH2      ARG  99  -8.569  16.252 -11.209
  947   2HH2  ARG  99          2HH2      ARG  99  -9.047  16.682  -9.625
  948    QB   ARG  99           QB       ARG  99  -2.027  14.878 -11.136
  949    QG   ARG  99           QG       ARG  99  -4.122  14.958 -12.060
  950    QD   ARG  99           QD       ARG  99  -4.668  15.084  -9.683
  951    QH1  ARG  99           QH1      ARG  99  -6.708  16.149  -7.978
  952    QH2  ARG  99           QH2      ARG  99  -8.808  16.467 -10.417
  953    H    ARG 100           H        ARG 100  -1.550  10.857  -9.871
  954    HA   ARG 100           HA       ARG 100  -2.588   9.843 -12.347
  955   1HB   ARG 100          2HB       ARG 100  -1.000   8.512 -10.172
  956   2HB   ARG 100          1HB       ARG 100  -1.364   7.815 -11.753
  957   1HG   ARG 100          2HG       ARG 100  -0.158   9.563 -12.853
  958   2HG   ARG 100          1HG       ARG 100   0.071  10.381 -11.300
  959   1HD   ARG 100          2HD       ARG 100   1.481   8.577 -10.522
  960   2HD   ARG 100          1HD       ARG 100   1.153   7.636 -11.983
  961    HE   ARG 100           HE       ARG 100   2.132  10.071 -12.780
  962   1HH1  ARG 100          1HH1      ARG 100   3.392   7.211 -11.090
  963   2HH1  ARG 100          2HH1      ARG 100   5.008   7.552 -11.518
  964   1HH2  ARG 100          1HH2      ARG 100   4.287  10.456 -13.391
  965   2HH2  ARG 100          2HH2      ARG 100   5.532   9.424 -12.876
  966    QB   ARG 100           QB       ARG 100  -1.182   8.164 -10.962
  967    QG   ARG 100           QG       ARG 100  -0.044   9.972 -12.076
  968    QD   ARG 100           QD       ARG 100   1.317   8.106 -11.252
  969    QH1  ARG 100           QH1      ARG 100   4.200   7.382 -11.304
  970    QH2  ARG 100           QH2      ARG 100   4.909   9.940 -13.133
  971    H    PHE 101           H        PHE 101  -2.967   8.960  -8.862
  972    HA   PHE 101           HA       PHE 101  -5.416   7.765  -9.824
  973   1HB   PHE 101          2HB       PHE 101  -3.688   6.974  -7.540
  974   2HB   PHE 101          1HB       PHE 101  -5.411   6.603  -7.480
  975    HD1  PHE 101          1HD       PHE 101  -6.185   4.663  -8.449
  976    HD2  PHE 101          2HD       PHE 101  -2.478   6.278  -9.761
  977    HE1  PHE 101          1HE       PHE 101  -5.855   2.717  -9.905
  978    HE2  PHE 101          2HE       PHE 101  -2.146   4.323 -11.218
  979    HZ   PHE 101           HZ       PHE 101  -3.836   2.546 -11.284
  980    QB   PHE 101           QB       PHE 101  -4.549   6.789  -7.510
  981    QD   PHE 101           QD       PHE 101  -4.331   5.470  -9.105
  982    QE   PHE 101           QE       PHE 101  -4.000   3.520 -10.561
  983    QR   PHE 101           QR       PHE 101  -4.100   4.105 -10.123
  984    H    ALA 102           H        ALA 102  -4.358  10.245  -8.221
  985    HA   ALA 102           HA       ALA 102  -5.300  12.108  -7.264
  986   1HB   ALA 102          2HB       ALA 102  -6.731  12.040  -9.284
  987   2HB   ALA 102          3HB       ALA 102  -7.535  12.781  -7.902
  988   3HB   ALA 102          1HB       ALA 102  -7.935  11.129  -8.370
  989    MB   ALA 102           QB       ALA 102  -7.400  11.984  -8.518
  990    H    GLY 103           H        GLY 103  -6.367   9.150  -6.228
  991   1HA   GLY 103          1HA       GLY 103  -8.001   9.234  -4.190
  992   2HA   GLY 103          2HA       GLY 103  -6.627  10.156  -3.541
  993    QA   GLY 103           QA       GLY 103  -7.314   9.695  -3.866
  994    H    TRP 104           H        TRP 104  -6.671   8.109  -2.086
  995    HA   TRP 104           HA       TRP 104  -4.884   6.174  -3.309
  996   1HB   TRP 104          2HB       TRP 104  -4.074   6.977  -1.198
  997   2HB   TRP 104          1HB       TRP 104  -5.638   6.771  -0.454
  998    HD1  TRP 104           HD       TRP 104  -2.397   4.868  -1.138
  999    HE1  TRP 104          1HE       TRP 104  -2.494   2.667   0.086
 1000    HE3  TRP 104          3HE       TRP 104  -7.310   4.982   0.315
 1001    HZ2  TRP 104          2HZ       TRP 104  -4.489   1.151   1.550
 1002    HZ3  TRP 104          3HZ       TRP 104  -8.183   3.319   1.522
 1003    HH2  TRP 104           HH       TRP 104  -6.939   1.413   2.174
 1004    QB   TRP 104           QB       TRP 104  -4.856   6.874  -0.826
 1005    H    HIS 105           H        HIS 105  -5.325   4.019  -3.629
 1006    HA   HIS 105           HA       HIS 105  -8.154   3.267  -3.294
 1007   1HB   HIS 105          2HB       HIS 105  -6.192   2.813  -5.504
 1008   2HB   HIS 105          1HB       HIS 105  -7.716   1.900  -5.435
 1009    HD1  HIS 105          1HD       HIS 105  -9.749   3.129  -6.449
 1010    HD2  HIS 105          2HD       HIS 105  -6.434   5.589  -5.998
 1011    HE1  HIS 105          1HE       HIS 105 -10.314   5.238  -7.657
 1012    HE2  HIS 105          2HE       HIS 105  -8.429   6.797  -7.103
 1013    QB   HIS 105           QB       HIS 105  -6.954   2.356  -5.469
 1014    H    MET 106           H        MET 106  -8.369   0.790  -3.256
 1015    HA   MET 106           HA       MET 106  -5.976  -0.587  -2.346
 1016   1HB   MET 106          2HB       MET 106  -7.370   0.711  -0.466
 1017   2HB   MET 106          1HB       MET 106  -8.385  -0.705  -0.592
 1018   1HG   MET 106          2HG       MET 106  -5.493  -0.593   0.244
 1019   2HG   MET 106          1HG       MET 106  -6.882  -0.939   1.257
 1020   1HE   MET 106          1HE       MET 106  -4.502  -2.860   1.610
 1021   2HE   MET 106          3HE       MET 106  -6.087  -3.198   2.321
 1022   3HE   MET 106          2HE       MET 106  -5.237  -4.432   1.383
 1023    QB   MET 106           QB       MET 106  -7.878   0.003  -0.529
 1024    QG   MET 106           QG       MET 106  -6.187  -0.766   0.751
 1025    ME   MET 106           QE       MET 106  -5.275  -3.497   1.771
 1026    H    GLN 107           H        GLN 107  -6.147  -2.716  -2.966
 1027    HA   GLN 107           HA       GLN 107  -8.408  -3.594  -4.385
 1028   1HB   GLN 107          2HB       GLN 107  -6.350  -4.541  -5.072
 1029   2HB   GLN 107          1HB       GLN 107  -5.930  -5.018  -3.442
 1030   1HG   GLN 107          2HG       GLN 107  -6.424  -6.989  -4.716
 1031   2HG   GLN 107          1HG       GLN 107  -7.688  -6.764  -3.527
 1032   1HE2  GLN 107          1HE2      GLN 107  -9.169  -4.755  -5.206
 1033   2HE2  GLN 107          2HE2      GLN 107  -9.836  -5.679  -6.487
 1034    QB   GLN 107           QB       GLN 107  -6.140  -4.780  -4.257
 1035    QG   GLN 107           QG       GLN 107  -7.056  -6.877  -4.121
 1036    QE   GLN 107           QE2      GLN 107  -9.503  -5.217  -5.846
 1037    H    LEU 108           H        LEU 108  -7.301  -4.078  -1.111
 1038    HA   LEU 108           HA       LEU 108  -9.594  -5.815  -0.558
 1039   1HB   LEU 108          2HB       LEU 108  -7.013  -6.145   0.140
 1040   2HB   LEU 108          1HB       LEU 108  -7.517  -5.137   1.474
 1041    HG   LEU 108           HG       LEU 108  -8.547  -7.870   0.769
 1042   1HD1  LEU 108          2HD1      LEU 108  -6.374  -7.878   1.800
 1043   2HD1  LEU 108          1HD1      LEU 108  -6.967  -6.868   3.116
 1044   3HD1  LEU 108          3HD1      LEU 108  -7.584  -8.508   2.918
 1045   1HD2  LEU 108          3HD2      LEU 108 -10.391  -6.521   1.624
 1046   2HD2  LEU 108          2HD2      LEU 108  -9.909  -7.740   2.805
 1047   3HD2  LEU 108          1HD2      LEU 108  -9.420  -6.059   3.017
 1048    MD1  LEU 108           QD1      LEU 108  -6.975  -7.751   2.611
 1049    MD2  LEU 108           QD2      LEU 108  -9.906  -6.773   2.482
 1050    QB   LEU 108           QB       LEU 108  -7.265  -5.641   0.807
 1051    QD   LEU 108           QQD      LEU 108  -8.441  -7.262   2.547
 1052    H    SER 109           H        SER 109 -11.097  -4.157  -0.661
 1053    HA   SER 109           HA       SER 109 -11.626  -2.604   1.645
 1054   1HB   SER 109          2HB       SER 109  -9.966  -1.087   0.658
 1055   2HB   SER 109          1HB       SER 109 -10.783  -1.157  -0.903
 1056    HG   SER 109           HG       SER 109 -12.316   0.113  -0.177
 1057    QB   SER 109           QB       SER 109 -10.374  -1.122  -0.122
 1058    H    CYS 110           H        CYS 110 -13.627  -3.459   1.681
 1059    HA   CYS 110           HA       CYS 110 -15.709  -4.054   1.173
 1060   1HB   CYS 110          2HB       CYS 110 -16.041  -1.755   0.280
 1061   2HB   CYS 110          1HB       CYS 110 -15.415  -2.265  -1.278
 1062    HG   CYS 110           HG       CYS 110 -17.541  -3.385  -2.194
 1063    QB   CYS 110           QB       CYS 110 -15.728  -2.010  -0.499
 1064    H    SER 111           H        SER 111 -13.977  -3.892  -1.884
 1065    HA   SER 111           HA       SER 111 -13.230  -5.398  -3.335
 1066   1HB   SER 111          2HB       SER 111 -13.251  -7.163  -0.906
 1067   2HB   SER 111          1HB       SER 111 -12.345  -7.465  -2.389
 1068    HG   SER 111           HG       SER 111 -11.054  -5.778  -1.984
 1069    QB   SER 111           QB       SER 111 -12.798  -7.314  -1.647
 1070    H    GLU 112           H        GLU 112 -13.473  -8.063  -3.702
 1071    HA   GLU 112           HA       GLU 112 -16.070  -8.131  -4.932
 1072   1HB   GLU 112          2HB       GLU 112 -13.876 -10.152  -5.095
 1073   2HB   GLU 112          1HB       GLU 112 -15.246  -9.957  -6.159
 1074   1HG   GLU 112          2HG       GLU 112 -14.300  -7.859  -6.984
 1075   2HG   GLU 112          1HG       GLU 112 -12.925  -8.070  -5.895
 1076    QB   GLU 112           QB       GLU 112 -14.561 -10.055  -5.627
 1077    QG   GLU 112           QG       GLU 112 -13.613  -7.965  -6.439
 1078    H    ALA 113           H        ALA 113 -17.229 -10.042  -4.893
 1079    HA   ALA 113           HA       ALA 113 -16.674 -12.182  -3.018
 1080   1HB   ALA 113          3HB       ALA 113 -19.320 -10.715  -3.380
 1081   2HB   ALA 113          2HB       ALA 113 -19.166 -12.258  -2.534
 1082   3HB   ALA 113          1HB       ALA 113 -18.393 -10.806  -1.887
 1083    MB   ALA 113           QB       ALA 113 -18.960 -11.260  -2.600
 1084    H    ASP 114           H        ASP 114 -16.093 -11.563  -5.567
 1085    HA   ASP 114           HA       ASP 114 -17.901 -13.003  -7.350
 1086   1HB   ASP 114          2HB       ASP 114 -17.322 -10.736  -7.986
 1087   2HB   ASP 114          1HB       ASP 114 -15.613 -11.098  -7.828
 1088    QB   ASP 114           QB       ASP 114 -16.467 -10.917  -7.907
 1089    H    MET 115           H        MET 115 -14.354 -12.582  -6.998
 1090    HA   MET 115           HA       MET 115 -14.015 -15.337  -7.846
 1091   1HB   MET 115          2HB       MET 115 -12.063 -13.103  -7.381
 1092   2HB   MET 115          1HB       MET 115 -11.547 -14.745  -7.712
 1093   1HG   MET 115          2HG       MET 115 -13.275 -13.079  -9.507
 1094   2HG   MET 115          1HG       MET 115 -11.536 -13.308  -9.709
 1095   1HE   MET 115          1HE       MET 115 -13.639 -13.847 -12.004
 1096   2HE   MET 115          3HE       MET 115 -11.908 -14.119 -12.208
 1097   3HE   MET 115          2HE       MET 115 -13.060 -15.375 -12.665
 1098    QB   MET 115           QB       MET 115 -11.805 -13.924  -7.546
 1099    QG   MET 115           QG       MET 115 -12.405 -13.194  -9.608
 1100    ME   MET 115           QE       MET 115 -12.869 -14.447 -12.292
 1101    H    ARG 116           H        ARG 116 -12.813 -13.327  -5.173
 1102    HA   ARG 116           HA       ARG 116 -12.085 -13.709  -3.133
 1103   1HB   ARG 116          2HB       ARG 116 -13.867 -16.133  -3.222
 1104   2HB   ARG 116          1HB       ARG 116 -13.116 -15.498  -1.758
 1105   1HG   ARG 116          2HG       ARG 116 -15.184 -14.144  -3.485
 1106   2HG   ARG 116          1HG       ARG 116 -15.427 -14.807  -1.873
 1107   1HD   ARG 116          2HD       ARG 116 -13.596 -12.493  -2.548
 1108   2HD   ARG 116          1HD       ARG 116 -15.202 -12.336  -1.880
 1109    HE   ARG 116           HE       ARG 116 -13.367 -13.923  -0.322
 1110   1HH1  ARG 116          1HH1      ARG 116 -14.793 -10.712  -0.883
 1111   2HH1  ARG 116          2HH1      ARG 116 -14.438 -10.150   0.675
 1112   1HH2  ARG 116          1HH2      ARG 116 -12.863 -13.105   1.784
 1113   2HH2  ARG 116          2HH2      ARG 116 -13.301 -11.512   2.223
 1114    QB   ARG 116           QB       ARG 116 -13.491 -15.815  -2.490
 1115    QG   ARG 116           QG       ARG 116 -15.306 -14.476  -2.679
 1116    QD   ARG 116           QD       ARG 116 -14.399 -12.415  -2.214
 1117    QH1  ARG 116           QH1      ARG 116 -14.616 -10.431  -0.104
 1118    QH2  ARG 116           QH2      ARG 116 -13.082 -12.309   2.003
 1119    H    SER 117           H        SER 117 -11.970 -16.831  -4.828
 1120    HA   SER 117           HA       SER 117  -9.905 -17.962  -3.343
 1121   1HB   SER 117          2HB       SER 117 -10.672 -18.497  -6.205
 1122   2HB   SER 117          1HB       SER 117  -9.757 -19.574  -5.145
 1123    HG   SER 117           HG       SER 117 -11.542 -19.739  -3.807
 1124    QB   SER 117           QB       SER 117 -10.215 -19.036  -5.675
 1125    H    LEU 118           H        LEU 118  -9.571 -15.286  -5.265
 1126    HA   LEU 118           HA       LEU 118  -7.006 -15.838  -6.387
 1127   1HB   LEU 118          2HB       LEU 118  -6.954 -13.385  -6.844
 1128   2HB   LEU 118          1HB       LEU 118  -8.261 -14.288  -7.596
 1129    HG   LEU 118           HG       LEU 118  -9.771 -13.329  -5.779
 1130   1HD1  LEU 118          3HD1      LEU 118  -7.409 -11.528  -5.267
 1131   2HD1  LEU 118          2HD1      LEU 118  -9.034 -11.296  -4.628
 1132   3HD1  LEU 118          1HD1      LEU 118  -8.085 -12.703  -4.141
 1133   1HD2  LEU 118          3HD2      LEU 118  -8.410 -11.400  -7.651
 1134   2HD2  LEU 118          2HD2      LEU 118  -9.771 -12.453  -8.039
 1135   3HD2  LEU 118          1HD2      LEU 118  -9.973 -11.145  -6.874
 1136    MD1  LEU 118           QD1      LEU 118  -8.176 -11.842  -4.679
 1137    MD2  LEU 118           QD2      LEU 118  -9.384 -11.666  -7.521
 1138    QB   LEU 118           QB       LEU 118  -7.608 -13.836  -7.220
 1139    QD   LEU 118           QQD      LEU 118  -8.780 -11.754  -6.100
 1140    H    GLY 119           H        GLY 119  -7.680 -15.636  -3.301
 1141   1HA   GLY 119          1HA       GLY 119  -5.201 -14.144  -2.632
 1142   2HA   GLY 119          2HA       GLY 119  -5.629 -15.670  -1.862
 1143    QA   GLY 119           QA       GLY 119  -5.415 -14.907  -2.247
 1144    H    LEU 120           H        LEU 120  -8.375 -13.955  -2.415
 1145    HA   LEU 120           HA       LEU 120  -8.315 -12.459   0.115
 1146   1HB   LEU 120          2HB       LEU 120  -9.093 -11.461  -2.127
 1147   2HB   LEU 120          1HB       LEU 120 -10.418 -12.616  -1.983
 1148    HG   LEU 120           HG       LEU 120 -11.286 -11.484  -0.035
 1149   1HD1  LEU 120          3HD1      LEU 120  -8.912  -9.658  -0.320
 1150   2HD1  LEU 120          2HD1      LEU 120 -10.273  -9.393   0.770
 1151   3HD1  LEU 120          1HD1      LEU 120  -9.216 -10.786   1.001
 1152   1HD2  LEU 120          1HD2      LEU 120 -10.616  -9.539  -2.240
 1153   2HD2  LEU 120          3HD2      LEU 120 -11.985 -10.653  -2.220
 1154   3HD2  LEU 120          2HD2      LEU 120 -11.897  -9.345  -1.042
 1155    MD1  LEU 120           QD1      LEU 120  -9.467  -9.946   0.484
 1156    MD2  LEU 120           QD2      LEU 120 -11.499  -9.845  -1.834
 1157    QB   LEU 120           QB       LEU 120  -9.756 -12.039  -2.055
 1158    QD   LEU 120           QQD      LEU 120 -10.483  -9.896  -0.675
 1159    H    ALA 121           H        ALA 121  -8.686 -15.405  -0.691
 1160    HA   ALA 121           HA       ALA 121 -11.294 -16.031   0.074
 1161   1HB   ALA 121          2HB       ALA 121 -10.663 -18.377  -0.119
 1162   2HB   ALA 121          1HB       ALA 121 -10.138 -17.418  -1.505
 1163   3HB   ALA 121          3HB       ALA 121  -8.967 -17.902  -0.279
 1164    MB   ALA 121           QB       ALA 121  -9.923 -17.899  -0.634
 1165    H    GLU 122           H        GLU 122 -11.446 -15.139   2.020
 1166    HA   GLU 122           HA       GLU 122  -9.999 -15.992   4.361
 1167   1HB   GLU 122          2HB       GLU 122 -11.325 -13.798   4.025
 1168   2HB   GLU 122          1HB       GLU 122 -12.772 -14.756   4.237
 1169   1HG   GLU 122          2HG       GLU 122 -10.606 -14.388   6.312
 1170   2HG   GLU 122          1HG       GLU 122 -12.111 -13.486   6.256
 1171    QB   GLU 122           QB       GLU 122 -12.049 -14.277   4.131
 1172    QG   GLU 122           QG       GLU 122 -11.359 -13.937   6.284
 1173    H    SER 123           H        SER 123 -12.897 -16.825   2.633
 1174    HA   SER 123           HA       SER 123 -14.100 -18.663   4.305
 1175   1HB   SER 123          2HB       SER 123 -15.004 -19.484   2.045
 1176   2HB   SER 123          1HB       SER 123 -15.302 -17.792   2.471
 1177    HG   SER 123           HG       SER 123 -13.460 -18.886   0.659
 1178    QB   SER 123           QB       SER 123 -15.153 -18.638   2.258
 1179    H    ARG 124           H        ARG 124 -13.302 -20.492   5.023
 1180    HA   ARG 124           HA       ARG 124 -10.974 -21.668   3.721
 1181   1HB   ARG 124          2HB       ARG 124 -10.551 -22.956   5.695
 1182   2HB   ARG 124          1HB       ARG 124 -10.963 -21.341   6.214
 1183   1HG   ARG 124          2HG       ARG 124 -12.861 -23.687   6.256
 1184   2HG   ARG 124          1HG       ARG 124 -11.908 -23.148   7.632
 1185   1HD   ARG 124          2HD       ARG 124 -13.074 -20.992   7.571
 1186   2HD   ARG 124          1HD       ARG 124 -14.004 -21.547   6.177
 1187    HE   ARG 124           HE       ARG 124 -14.424 -23.422   8.071
 1188   1HH1  ARG 124          1HH1      ARG 124 -14.917 -19.886   7.964
 1189   2HH1  ARG 124          2HH1      ARG 124 -16.235 -19.913   9.041
 1190   1HH2  ARG 124          1HH2      ARG 124 -16.290 -23.419   9.546
 1191   2HH2  ARG 124          2HH2      ARG 124 -17.035 -21.953   9.933
 1192    QB   ARG 124           QB       ARG 124 -10.757 -22.148   5.955
 1193    QG   ARG 124           QG       ARG 124 -12.385 -23.418   6.944
 1194    QD   ARG 124           QD       ARG 124 -13.539 -21.270   6.874
 1195    QH1  ARG 124           QH1      ARG 124 -15.576 -19.899   8.503
 1196    QH2  ARG 124           QH2      ARG 124 -16.663 -22.686   9.739
 1197    H    GLN 125           H        GLN 125 -14.150 -21.961   3.357
 1198    HA   GLN 125           HA       GLN 125 -13.894 -24.548   2.099
 1199   1HB   GLN 125          2HB       GLN 125 -14.758 -25.047   4.369
 1200   2HB   GLN 125          1HB       GLN 125 -16.083 -23.931   4.095
 1201   1HG   GLN 125          2HG       GLN 125 -16.856 -25.334   2.236
 1202   2HG   GLN 125          1HG       GLN 125 -15.560 -26.475   2.581
 1203   1HE2  GLN 125          1HE2      GLN 125 -18.559 -25.141   3.653
 1204   2HE2  GLN 125          2HE2      GLN 125 -18.915 -26.347   4.821
 1205    QB   GLN 125           QB       GLN 125 -15.420 -24.489   4.232
 1206    QG   GLN 125           QG       GLN 125 -16.208 -25.905   2.408
 1207    QE   GLN 125           QE2      GLN 125 -18.737 -25.744   4.237

  No H/Q in entry =        1207