*HEADER    EUKARYOTIC TRANSCRIPTIONAL REGULATION   04-OCT-00   1E91
*TITLE     STRUCTURE OF THE COMPLEX OF THE MAD1-SIN3B INTERACTION
*TITLE    2 DOMAINS
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PAIRED AMPHIPATHIC HELIX PROTEIN SIN3B;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: PAH2 DOMAIN;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 MOL_ID: 2;
*COMPND   7 MOLECULE: MAD PROTEIN (MAX DIMERIZER);
*COMPND   8 CHAIN: B;
*COMPND   9 FRAGMENT: SIN INTERACTION DOMAIN
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE   3 ORGANISM_COMMON: HOUSE MOUSE;
*SOURCE   4 GENE: SIN3B;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: PBL21;
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX2T;
*SOURCE   9 EXPRESSION_SYSTEM_GENE: SIN3B;
*SOURCE  10 MOL_ID: 2;
*SOURCE  11 SYNTHETIC: YES;
*SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE  13 ORGANISM_COMMON: HUMAN;
*SOURCE  14 GENE: MAD1
*KEYWDS    EUKARYOTIC TRANSCRIPTIONAL REGULATION, SIN3, PAH DOMAINS,
*KEYWDS   2 MAD1, PROTEIN-PROTEIN INTERACTIONS
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    C.A.E.M.SPRONK,M.TESSARI,A.M.KAAN,J.F.A.JANSEN,
*AUTHOR   2 M.VERMEULEN,H.G.STUNNENBERG,G.W.VUISTER
*REVDAT   1   20-NOV-00 1E91    0




 ASSI {   13}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 22   and name HN  ))
      2.600     0.800     0.800 peak    13 weight  0.10000E+01 volume  0.35697E-02 ppm1      8.664 ppm2      7.204 CV     1
 ASSI {   15}
   (( segid "PAH2" and resid 6    and name HN  ))
   (( segid "PAH2" and resid 5    and name HN  ))
      2.700     0.900     0.900 peak    15 weight  0.10000E+01 volume  0.27007E-02 ppm1      8.591 ppm2      8.373 CV     1
 ASSI {   18}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 8    and name HN  ))
      2.700     0.900     0.900 peak    18 weight  0.10000E+01 volume  0.26828E-02 ppm1      8.532 ppm2      8.345 CV     1
 ASSI {   43}
   (( segid "PAH2" and resid 29   and name HN  ))
   (( segid "PAH2" and resid 28   and name HN  ))
      2.600     0.800     0.800 peak    43 weight  0.10000E+01 volume  0.32046E-02 ppm1      8.292 ppm2      6.679 CV     1
 ASSI {   46}
   (( segid "PAH2" and resid 30   and name HN  ))
   (( segid "PAH2" and resid 31   and name HN  ))
      2.800     1.000     1.000 peak    46 weight  0.10000E+01 volume  0.20025E-02 ppm1      8.271 ppm2      8.054 CV     1
 ASSI {   54}
   (( segid "PAH2" and resid 10   and name HN  ))
   (( segid "PAH2" and resid 9    and name HN  ))
      2.400     0.700     0.700 peak    54 weight  0.10000E+01 volume  0.48553E-02 ppm1      8.161 ppm2      8.339 CV     1
 ASSI {   59}
   (( segid "PAH2" and resid 13   and name HN  ))
   (( segid "PAH2" and resid 12   and name HN  ))
      3.000     1.100     1.100 peak    59 weight  0.10000E+01 volume  0.14372E-02 ppm1      8.129 ppm2      7.965 CV     1
 ASSI {   61}
   (( segid "PAH2" and resid 31   and name HN  ))
   (( segid "PAH2" and resid 32   and name HN  ))
      2.800     1.000     1.000 peak    61 weight  0.10000E+01 volume  0.22051E-02 ppm1      8.096 ppm2      7.601 CV     1
 ASSI {   63}
   (( segid "PAH2" and resid 58   and name HN  ))
   (( segid "PAH2" and resid 57   and name HN  ))
      2.800     1.000     1.000 peak    63 weight  0.10000E+01 volume  0.19555E-02 ppm1      8.051 ppm2      7.869 CV     1
 ASSI {   65}
   (( segid "PAH2" and resid 20   and name HN  ))
   (( segid "PAH2" and resid 21   and name HN  ))
      2.600     0.800     0.800 peak    65 weight  0.10000E+01 volume  0.34791E-02 ppm1      7.995 ppm2      7.193 CV     1
 ASSI {   74}
   (( segid "PAH2" and resid 16   and name HN  ))
   (( segid "PAH2" and resid 15   and name HN  ))
      2.600     0.800     0.800 peak    74 weight  0.10000E+01 volume  0.34327E-02 ppm1      7.954 ppm2      8.563 CV     1
 ASSI {   78}
   (( segid "PAH2" and resid 57   and name HN  ))
   (( segid "PAH2" and resid 56   and name HN  ))
      2.700     0.900     0.900 peak    78 weight  0.10000E+01 volume  0.26833E-02 ppm1      7.911 ppm2      8.809 CV     1
 ASSI {   89}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 23   and name HN  ))
      2.300     0.700     0.700 peak    89 weight  0.10000E+01 volume  0.69652E-02 ppm1      7.686 ppm2      8.641 CV     1
 ASSI {   90}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 16   and name HN  ))
      2.700     0.900     0.900 peak    90 weight  0.10000E+01 volume  0.27252E-02 ppm1      7.638 ppm2      7.937 CV     1
 ASSI {  115}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   115 weight  0.10000E+01 volume  0.20785E-02 ppm1      8.359 ppm2      7.618 CV     1
 ASSI {  163}
   (( segid "PAH2" and resid 55   and name HN  ))
   (( segid "PAH2" and resid 56   and name HN  ))
      2.900     1.100     1.100 peak   163 weight  0.10000E+01 volume  0.15829E-02 ppm1      9.140 ppm2      8.809 CV     1
 ASSI {  164}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   164 weight  0.10000E+01 volume  0.31105E-03 ppm1      8.954 ppm2      8.305 CV     1
 ASSI {  193}
   (( segid "PAH2" and resid 5    and name HN  ))
   (( segid "PAH2" and resid 4    and name HN  ))
      3.200     1.300     1.300 peak   193 weight  0.10000E+01 volume  0.92288E-03 ppm1      8.407 ppm2      8.110 CV     1
 ASSI {  212}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 18   and name HN  ))
      2.900     1.000     1.000 peak   212 weight  0.10000E+01 volume  0.17987E-02 ppm1      8.091 ppm2      8.339 CV     1
 ASSI {  257}
   (( segid "PAH2" and resid 4    and name HN  ))
   (( segid "PAH2" and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   257 weight  0.10000E+01 volume  0.48617E-02 ppm1      8.137 ppm2      4.506 CV     1
 ASSI {  261}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 8    and name HA  ))
      2.600     0.900     0.900 peak   261 weight  0.10000E+01 volume  0.30183E-02 ppm1      8.382 ppm2      4.296 CV     1
 ASSI {  262}
   (( segid "PAH2" and resid 9    and name HN  ))
   (( segid "PAH2" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   262 weight  0.10000E+01 volume  0.36016E-02 ppm1      8.376 ppm2      4.561 CV     1
 ASSI {  263}
   (( segid "PAH2" and resid 10   and name HN  ))
   (( segid "PAH2" and resid 10   and name HA  ))
      2.600     0.900     0.900 peak   263 weight  0.10000E+01 volume  0.29660E-02 ppm1      8.160 ppm2      4.092 CV     1
 ASSI {  264}
   (( segid "PAH2" and resid 11   and name HN  ))
   (( segid "PAH2" and resid 11   and name HA  ))
      2.800     1.000     1.000 peak   264 weight  0.10000E+01 volume  0.21140E-02 ppm1      8.266 ppm2      3.406 CV     1
 ASSI {  265}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   265 weight  0.10000E+01 volume  0.39951E-02 ppm1      8.011 ppm2      4.162 CV     1
 ASSI {  266}
   (( segid "PAH2" and resid 13   and name HN  ))
   (( segid "PAH2" and resid 13   and name HA  ))
      2.600     0.900     0.900 peak   266 weight  0.10000E+01 volume  0.29591E-02 ppm1      8.128 ppm2      4.406 CV     1
 ASSI {  267}
   (( segid "PAH2" and resid 14   and name HN  ))
   (( segid "PAH2" and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   267 weight  0.10000E+01 volume  0.38901E-02 ppm1      8.583 ppm2      3.396 CV     1
 ASSI {  270}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   270 weight  0.10000E+01 volume  0.18022E-02 ppm1      7.639 ppm2      3.094 CV     1
 ASSI {  272}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 19   and name HA  ))
      2.600     0.800     0.800 peak   272 weight  0.10000E+01 volume  0.35279E-02 ppm1      8.090 ppm2      3.743 CV     1
 ASSI {  273}
   (( segid "PAH2" and resid 20   and name HN  ))
   (( segid "PAH2" and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   273 weight  0.10000E+01 volume  0.41530E-02 ppm1      7.995 ppm2      3.760 CV     1
 ASSI {  274}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   274 weight  0.10000E+01 volume  0.20855E-02 ppm1      7.209 ppm2      4.979 CV     1
 ASSI {  275}
   (( segid "PAH2" and resid 22   and name HN  ))
   (( segid "PAH2" and resid 22   and name HA  ))
      2.400     0.700     0.700 peak   275 weight  0.10000E+01 volume  0.51682E-02 ppm1      7.224 ppm2      3.992 CV     1
 ASSI {  276}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 23   and name HA  ))
      2.600     0.800     0.800 peak   276 weight  0.10000E+01 volume  0.32917E-02 ppm1      8.666 ppm2      4.523 CV     1
 ASSI {  278}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   278 weight  0.10000E+01 volume  0.35470E-02 ppm1     10.319 ppm2      4.199 CV     1
 ASSI {  279}
   (( segid "PAH2" and resid 27   and name HN  ))
   (( segid "PAH2" and resid 27   and name HA  ))
      3.000     1.100     1.100 peak   279 weight  0.10000E+01 volume  0.15004E-02 ppm1      8.200 ppm2      3.647 CV     1
 ASSI {  283}
   (( segid "PAH2" and resid 30   and name HN  ))
   (( segid "PAH2" and resid 30   and name HA  ))
      2.200     0.600     0.600 peak   283 weight  0.10000E+01 volume  0.92869E-02 ppm1      8.271 ppm2      4.102 CV     1
 ASSI {  286}
   (( segid "PAH2" and resid 33   and name HN  ))
   (( segid "PAH2" and resid 33   and name HA  ))
      2.400     0.700     0.700 peak   286 weight  0.10000E+01 volume  0.54514E-02 ppm1      8.054 ppm2      4.077 CV     1
 ASSI {  288}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   288 weight  0.10000E+01 volume  0.22184E-02 ppm1      7.326 ppm2      3.804 CV     1
 ASSI {  289}
   (( segid "PAH2" and resid 36   and name HN  ))
   (( segid "PAH2" and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   289 weight  0.10000E+01 volume  0.23473E-02 ppm1      8.722 ppm2      4.180 CV     1
 ASSI {  290}
   (( segid "PAH2" and resid 37   and name HN  ))
   (( segid "PAH2" and resid 37   and name HA  ))
      2.600     0.800     0.800 peak   290 weight  0.10000E+01 volume  0.35064E-02 ppm1      8.553 ppm2      3.836 CV     1
 ASSI {  294}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   294 weight  0.10000E+01 volume  0.26473E-02 ppm1      8.344 ppm2      3.848 CV     1
 ASSI {  296}
   (( segid "PAH2" and resid 41   and name HN  ))
   (( segid "PAH2" and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   296 weight  0.10000E+01 volume  0.35011E-02 ppm1      7.873 ppm2      4.166 CV     1
 ASSI {  297}
   (( segid "PAH2" and resid 42   and name HN  ))
   (( segid "PAH2" and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   297 weight  0.10000E+01 volume  0.35302E-02 ppm1      7.658 ppm2      4.035 CV     1
 ASSI {  298}
   (( segid "PAH2" and resid 43   and name HN  ))
   (( segid "PAH2" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   298 weight  0.10000E+01 volume  0.36625E-02 ppm1      7.517 ppm2      4.207 CV     1
 ASSI {  300}
   (( segid "PAH2" and resid 45   and name HN  ))
   (( segid "PAH2" and resid 45   and name HA  ))
      3.700     1.700     1.700 peak   300 weight  0.10000E+01 volume  0.38877E-03 ppm1      8.011 ppm2      4.280 CV     1
 ASSI {  302}
   (( segid "PAH2" and resid 47   and name HN  ))
   (( segid "PAH2" and resid 47   and name HA2 ))
      3.300     1.300     1.300 peak   302 weight  0.10000E+01 volume  0.82944E-03 ppm1      8.692 ppm2      4.053 CV     1
 ASSI {  304}
   (( segid "PAH2" and resid 50   and name HN  ))
   (( segid "PAH2" and resid 50   and name HA  ))
      2.700     0.900     0.900 peak   304 weight  0.10000E+01 volume  0.24755E-02 ppm1      8.177 ppm2      4.566 CV     1
 ASSI {  305}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak   305 weight  0.10000E+01 volume  0.24349E-02 ppm1      7.864 ppm2      4.661 CV     1
 ASSI {  307}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 52   and name HA1 ))
      2.600     0.800     0.800 peak   307 weight  0.10000E+01 volume  0.34013E-02 ppm1      7.758 ppm2      3.941 CV     1
 ASSI {  308}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 52   and name HA2 ))
      2.500     0.800     0.800 peak   308 weight  0.10000E+01 volume  0.41106E-02 ppm1      7.758 ppm2      3.746 CV     1
 ASSI {  309}
   (( segid "PAH2" and resid 53   and name HN  ))
   (( segid "PAH2" and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   309 weight  0.10000E+01 volume  0.22010E-02 ppm1      8.335 ppm2      4.477 CV     1
 ASSI {  310}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   310 weight  0.10000E+01 volume  0.14905E-02 ppm1      8.952 ppm2      4.775 CV     1
 ASSI {  316}
   (( segid "PAH2" and resid 59   and name HN  ))
   (( segid "PAH2" and resid 59   and name HA  ))
      2.700     0.900     0.900 peak   316 weight  0.10000E+01 volume  0.27959E-02 ppm1      8.362 ppm2      3.980 CV     1
 ASSI {  322}
   (( segid "PAH2" and resid 64   and name HN  ))
   (( segid "PAH2" and resid 64   and name HA  ))
      2.500     0.800     0.800 peak   322 weight  0.10000E+01 volume  0.42017E-02 ppm1      7.522 ppm2      4.406 CV     1
 ASSI {  324}
   (( segid "PAH2" and resid 66   and name HN  ))
   (( segid "PAH2" and resid 66   and name HA  ))
      2.900     1.100     1.100 peak   324 weight  0.10000E+01 volume  0.16810E-02 ppm1      8.217 ppm2      4.861 CV     1
 ASSI {  325}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 67   and name HA  ))
      2.400     0.700     0.700 peak   325 weight  0.10000E+01 volume  0.49163E-02 ppm1      6.967 ppm2      4.087 CV     1
 ASSI {  326}
   (( segid "PAH2" and resid 68   and name HN  ))
   (( segid "PAH2" and resid 68   and name HA2 ))
      2.600     0.800     0.800 peak   326 weight  0.10000E+01 volume  0.33578E-02 ppm1      9.406 ppm2      4.305 CV     1
 ASSI {  327}
   (( segid "PAH2" and resid 68   and name HN  ))
   (( segid "PAH2" and resid 68   and name HA1 ))
      2.400     0.700     0.700 peak   327 weight  0.10000E+01 volume  0.47062E-02 ppm1      9.406 ppm2      3.860 CV     1
 ASSI {  329}
   (( segid "PAH2" and resid 70   and name HN  ))
   (( segid "PAH2" and resid 70   and name HA  ))
      2.300     0.700     0.700 peak   329 weight  0.10000E+01 volume  0.63905E-02 ppm1      8.592 ppm2      3.877 CV     1
 ASSI {  330}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak   330 weight  0.10000E+01 volume  0.45889E-02 ppm1      8.986 ppm2      4.364 CV     1
 ASSI {  331}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 72   and name HA  ))
      2.700     0.900     0.900 peak   331 weight  0.10000E+01 volume  0.23269E-02 ppm1      7.775 ppm2      4.280 CV     1
 ASSI {  335}
   (( segid "PAH2" and resid 76   and name HN  ))
   (( segid "PAH2" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak   335 weight  0.10000E+01 volume  0.39644E-02 ppm1      7.641 ppm2      4.322 CV     1
 ASSI {  341}
   (( segid "PAH2" and resid 82   and name HN  ))
   (( segid "PAH2" and resid 82   and name HA  ))
      2.800     1.000     1.000 peak   341 weight  0.10000E+01 volume  0.19074E-02 ppm1      9.150 ppm2      4.000 CV     1
 ASSI {  369}
   (( segid "PAH2" and resid 13   and name HN  ))
   (( segid "PAH2" and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   369 weight  0.10000E+01 volume  0.30722E-02 ppm1      8.129 ppm2      8.583 CV     1
 ASSI {  374}
   (( segid "PAH2" and resid 14   and name HN  ))
   (( segid "PAH2" and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   374 weight  0.10000E+01 volume  0.36666E-03 ppm1      8.583 ppm2      7.937 CV     1
 ASSI {  376}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 15   and name HN  ))
      5.800     4.200     0.200 peak   376 weight  0.10000E+01 volume  0.26979E-04 ppm1      7.638 ppm2      8.557 CV     1
 ASSI {  379}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 22   and name HN  ))
      3.000     1.200     1.200 peak   379 weight  0.10000E+01 volume  0.12810E-02 ppm1      7.686 ppm2      7.204 CV     1
 ASSI {  381}
   (( segid "PAH2" and resid 22   and name HN  ))
   (( segid "PAH2" and resid 20   and name HN  ))
      3.900     1.900     1.900 peak   381 weight  0.10000E+01 volume  0.30461E-03 ppm1      7.224 ppm2      7.995 CV     1
 ASSI {  382}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 27   and name HN  ))
      2.600     0.800     0.800 peak   382 weight  0.10000E+01 volume  0.32905E-02 ppm1     10.319 ppm2      8.177 CV     1
 ASSI {  383}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 28   and name HN  ))
      4.400     2.500     1.600 peak   383 weight  0.10000E+01 volume  0.13123E-03 ppm1     10.317 ppm2      6.675 CV     1
 ASSI {  387}
   (( segid "PAH2" and resid 28   and name HN  ))
   (( segid "PAH2" and resid 27   and name HN  ))
      2.600     0.800     0.800 peak   387 weight  0.10000E+01 volume  0.36265E-02 ppm1      6.701 ppm2      8.182 CV     1
 ASSI {  388}
   (( segid "PAH2" and resid 30   and name HN  ))
   (( segid "PAH2" and resid 28   and name HN  ))
      4.400     2.400     1.600 peak   388 weight  0.10000E+01 volume  0.14221E-03 ppm1      8.271 ppm2      6.685 CV     1
 ASSI {  391}
   (( segid "PAH2" and resid 33   and name HN  ))
   (( segid "PAH2" and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   391 weight  0.10000E+01 volume  0.24895E-02 ppm1      8.054 ppm2      7.607 CV     1
 ASSI {  392}
   (( segid "PAH2" and resid 30   and name HN  ))
   (( segid "PAH2" and resid 32   and name HN  ))
      5.800     4.200     0.200 peak   392 weight  0.10000E+01 volume  0.27234E-04 ppm1      8.271 ppm2      7.596 CV     1
 ASSI {  393}
   (( segid "PAH2" and resid 33   and name HN  ))
   (( segid "PAH2" and resid 35   and name HN  ))
      5.000     3.100     1.000 peak   393 weight  0.10000E+01 volume  0.63035E-04 ppm1      8.054 ppm2      7.305 CV     1
 ASSI {  394}
   (( segid "PAH2" and resid 34   and name HN  ))
   (( segid "PAH2" and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   394 weight  0.10000E+01 volume  0.24767E-02 ppm1      7.999 ppm2      7.299 CV     1
 ASSI {  395}
   (( segid "PAH2" and resid 34   and name HN  ))
   (( segid "PAH2" and resid 36   and name HN  ))
      4.300     2.300     1.700 peak   395 weight  0.10000E+01 volume  0.16333E-03 ppm1      7.999 ppm2      8.691 CV     1
 ASSI {  397}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 37   and name HN  ))
      4.600     2.700     1.400 peak   397 weight  0.10000E+01 volume  0.10517E-03 ppm1      7.326 ppm2      8.529 CV     1
 ASSI {  398}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   398 weight  0.10000E+01 volume  0.23537E-02 ppm1      7.326 ppm2      8.691 CV     1
 ASSI {  399}
   (( segid "PAH2" and resid 36   and name HN  ))
   (( segid "PAH2" and resid 37   and name HN  ))
      2.900     1.100     1.100 peak   399 weight  0.10000E+01 volume  0.16845E-02 ppm1      8.722 ppm2      8.512 CV     1
 ASSI {  402}
   (( segid "PAH2" and resid 37   and name HN  ))
   (( segid "PAH2" and resid 38   and name HN  ))
      2.700     0.900     0.900 peak   402 weight  0.10000E+01 volume  0.26509E-02 ppm1      8.554 ppm2      8.158 CV     1
 ASSI {  407}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 39   and name HN  ))
      3.200     1.200     1.200 peak   407 weight  0.10000E+01 volume  0.10105E-02 ppm1      8.150 ppm2      8.344 CV     1
 ASSI {  409}
   (( segid "PAH2" and resid 41   and name HN  ))
   (( segid "PAH2" and resid 40   and name HN  ))
      2.700     0.900     0.900 peak   409 weight  0.10000E+01 volume  0.28899E-02 ppm1      7.873 ppm2      8.150 CV     1
 ASSI {  410}
   (( segid "PAH2" and resid 41   and name HN  ))
   (( segid "PAH2" and resid 39   and name HN  ))
      5.600     3.900     0.400 peak   410 weight  0.10000E+01 volume  0.33509E-04 ppm1      7.873 ppm2      8.344 CV     1
 ASSI {  411}
   (( segid "PAH2" and resid 41   and name HN  ))
   (( segid "PAH2" and resid 42   and name HN  ))
      2.800     1.000     1.000 peak   411 weight  0.10000E+01 volume  0.21198E-02 ppm1      7.873 ppm2      7.635 CV     1
 ASSI {  413}
   (( segid "PAH2" and resid 43   and name HN  ))
   (( segid "PAH2" and resid 42   and name HN  ))
      3.000     1.100     1.100 peak   413 weight  0.10000E+01 volume  0.15056E-02 ppm1      7.517 ppm2      7.657 CV     1
 ASSI {  415}
   (( segid "PAH2" and resid 44   and name HN  ))
   (( segid "PAH2" and resid 43   and name HN  ))
      3.900     1.900     1.900 peak   415 weight  0.10000E+01 volume  0.27646E-03 ppm1      8.239 ppm2      7.484 CV     1
 ASSI {  417}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   417 weight  0.10000E+01 volume  0.12334E-02 ppm1      7.861 ppm2      8.663 CV     1
 ASSI {  418}
   (( segid "PAH2" and resid 53   and name HN  ))
   (( segid "PAH2" and resid 52   and name HN  ))
      3.300     1.400     1.400 peak   418 weight  0.10000E+01 volume  0.77430E-03 ppm1      8.333 ppm2      7.758 CV     1
 ASSI {  422}
   (( segid "PAH2" and resid 58   and name HN  ))
   (( segid "PAH2" and resid 59   and name HN  ))
      2.600     0.800     0.800 peak   422 weight  0.10000E+01 volume  0.32685E-02 ppm1      8.051 ppm2      8.328 CV     1
 ASSI {  424}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 61   and name HN  ))
      2.700     0.900     0.900 peak   424 weight  0.10000E+01 volume  0.23705E-02 ppm1      8.339 ppm2      7.959 CV     1
 ASSI {  426}
   (( segid "PAH2" and resid 63   and name HN  ))
   (( segid "PAH2" and resid 62   and name HN  ))
      2.600     0.800     0.800 peak   426 weight  0.10000E+01 volume  0.34733E-02 ppm1      8.717 ppm2      8.339 CV     1
 ASSI {  428}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 64   and name HN  ))
      4.200     2.200     1.800 peak   428 weight  0.10000E+01 volume  0.17366E-03 ppm1      8.339 ppm2      7.495 CV     1
 ASSI {  430}
   (( segid "PAH2" and resid 64   and name HN  ))
   (( segid "PAH2" and resid 63   and name HN  ))
      2.600     0.900     0.900 peak   430 weight  0.10000E+01 volume  0.29195E-02 ppm1      7.522 ppm2      8.717 CV     1
 ASSI {  431}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 66   and name HN  ))
      2.600     0.800     0.800 peak   431 weight  0.10000E+01 volume  0.33433E-02 ppm1      7.522 ppm2      8.194 CV     1
 ASSI {  432}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 63   and name HN  ))
      6.000     5.300     0.000 peak   432 weight  0.10000E+01 volume  0.13258E-04 ppm1      7.522 ppm2      8.717 CV     1
 ASSI {  434}
   (( segid "PAH2" and resid 64   and name HN  ))
   (( segid "PAH2" and resid 66   and name HN  ))
      3.700     1.700     1.700 peak   434 weight  0.10000E+01 volume  0.38611E-03 ppm1      7.522 ppm2      8.205 CV     1
 ASSI {  436}
   (( segid "PAH2" and resid 66   and name HN  ))
   (( segid "PAH2" and resid 67   and name HN  ))
      2.700     0.900     0.900 peak   436 weight  0.10000E+01 volume  0.28268E-02 ppm1      8.215 ppm2      6.967 CV     1
 ASSI {  439}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 68   and name HN  ))
      3.300     1.300     1.300 peak   439 weight  0.10000E+01 volume  0.80448E-03 ppm1      6.967 ppm2      9.406 CV     1
 ASSI {  442}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 67   and name HN  ))
      5.000     3.100     1.000 peak   442 weight  0.10000E+01 volume  0.64776E-04 ppm1      8.488 ppm2      6.967 CV     1
 ASSI {  444}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   444 weight  0.10000E+01 volume  0.43074E-02 ppm1      8.491 ppm2      9.406 CV     1
 ASSI {  446}
   (( segid "PAH2" and resid 70   and name HN  ))
   (( segid "PAH2" and resid 68   and name HN  ))
      5.300     3.600     0.700 peak   446 weight  0.10000E+01 volume  0.43010E-04 ppm1      8.592 ppm2      9.406 CV     1
 ASSI {  447}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 70   and name HN  ))
      2.600     0.800     0.800 peak   447 weight  0.10000E+01 volume  0.33526E-02 ppm1      8.986 ppm2      8.563 CV     1
 ASSI {  448}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 72   and name HN  ))
      2.400     0.700     0.700 peak   448 weight  0.10000E+01 volume  0.56128E-02 ppm1      8.986 ppm2      7.752 CV     1
 ASSI {  449}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      4.200     2.300     1.800 peak   449 weight  0.10000E+01 volume  0.17047E-03 ppm1      7.775 ppm2      8.300 CV     1
 ASSI {  452}
   (( segid "PAH2" and resid 73   and name HN  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   452 weight  0.10000E+01 volume  0.40120E-02 ppm1      7.886 ppm2      8.289 CV     1
 ASSI {  453}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 73   and name HN  ))
      3.000     1.100     1.100 peak   453 weight  0.10000E+01 volume  0.13425E-02 ppm1      7.775 ppm2      7.881 CV     1
 ASSI {  457}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   457 weight  0.10000E+01 volume  0.25417E-02 ppm1      7.910 ppm2      8.293 CV     1
 ASSI {  458}
   (( segid "PAH2" and resid 76   and name HN  ))
   (( segid "PAH2" and resid 75   and name HN  ))
      2.400     0.700     0.700 peak   458 weight  0.10000E+01 volume  0.49273E-02 ppm1      7.641 ppm2      7.892 CV     1
 ASSI {  459}
   (( segid "PAH2" and resid 76   and name HN  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      3.800     1.800     1.800 peak   459 weight  0.10000E+01 volume  0.31674E-03 ppm1      7.641 ppm2      8.300 CV     1
 ASSI {  463}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 79   and name HN  ))
      2.600     0.800     0.800 peak   463 weight  0.10000E+01 volume  0.34826E-02 ppm1      7.271 ppm2      7.607 CV     1
 ASSI {  466}
   (( segid "PAH2" and resid 79   and name HN  ))
   (( segid "PAH2" and resid 80   and name HN  ))
      2.400     0.700     0.700 peak   466 weight  0.10000E+01 volume  0.57219E-02 ppm1      7.623 ppm2      6.831 CV     1
 ASSI {  476}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 5    and name HA  ))
      3.400     1.500     1.500 peak   476 weight  0.10000E+01 volume  0.60249E-03 ppm1      8.382 ppm2      3.823 CV     1
 ASSI {  477}
   (( segid "PAH2" and resid 5    and name HN  ))
   (( segid "PAH2" and resid 4    and name HB3 ))
      2.800     0.900     0.900 peak   477 weight  0.10000E+01 volume  0.22933E-02 ppm1      8.408 ppm2      4.020 CV     1
 OR {  477}
   (( segid "PAH2" and resid 5    and name HN  ))
   (( segid "PAH2" and resid 4    and name HB2 ))
 ASSI {  480}
   (( segid "PAH2" and resid 5    and name HN  ))
   (( segid "PAH2" and resid 5    and name HB  ))
      2.300     0.600     0.600 peak   480 weight  0.10000E+01 volume  0.73251E-02 ppm1      8.408 ppm2      2.049 CV     1
 ASSI {  481}
   (( segid "PAH2" and resid 5    and name HN  ))
   (  segid "PAH2" and resid 5    and name HG2%)
      2.300     0.600     0.600 peak   481 weight  0.10000E+01 volume  0.72902E-02 ppm1      8.408 ppm2      0.992 CV     1
 ASSI {  485}
   (( segid "PAH2" and resid 4    and name HN  ))
   (( segid "PAH2" and resid 4    and name HB2 ))
      2.200     0.600     0.600 peak   485 weight  0.10000E+01 volume  0.78301E-02 ppm1      8.138 ppm2      3.996 CV     1
 ASSI {  486}
   (( segid "PAH2" and resid 4    and name HN  ))
   (( segid "PAH2" and resid 7    and name HB2 ))
      4.100     2.100     1.900 peak   486 weight  0.10000E+01 volume  0.19863E-03 ppm1      8.137 ppm2      3.262 CV     1
 ASSI {  487}
   (( segid "PAH2" and resid 4    and name HN  ))
   (( segid "PAH2" and resid 7    and name HB3 ))
      3.500     1.500     1.500 peak   487 weight  0.10000E+01 volume  0.54909E-03 ppm1      8.137 ppm2      2.990 CV     1
 ASSI {  490}
   (( segid "PAH2" and resid 4    and name HN  ))
   (  segid "PAH2" and resid 5    and name HG2%)
      4.200     2.200     1.800 peak   490 weight  0.10000E+01 volume  0.19189E-03 ppm1      8.138 ppm2      0.984 CV     1
 ASSI {  495}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   495 weight  0.10000E+01 volume  0.14882E-02 ppm1      8.530 ppm2      4.184 CV     1
 ASSI {  496}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 4    and name HB2 ))
      3.700     1.700     1.700 peak   496 weight  0.10000E+01 volume  0.38158E-03 ppm1      8.530 ppm2      3.980 CV     1
 OR {  496}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 4    and name HB3 ))
 ASSI {  497}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 7    and name HB2 ))
      2.500     0.800     0.800 peak   497 weight  0.10000E+01 volume  0.44827E-02 ppm1      8.530 ppm2      3.251 CV     1
 ASSI {  498}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 7    and name HB3 ))
      2.400     0.700     0.700 peak   498 weight  0.10000E+01 volume  0.49447E-02 ppm1      8.530 ppm2      2.989 CV     1
 ASSI {  499}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 6    and name HG3 ))
      3.700     1.700     1.700 peak   499 weight  0.10000E+01 volume  0.37798E-03 ppm1      8.530 ppm2      2.338 CV     1
 OR {  499}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 6    and name HG2 ))
 ASSI {  500}
   (( segid "PAH2" and resid 7    and name HN  ))
   (( segid "PAH2" and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak   500 weight  0.10000E+01 volume  0.34355E-02 ppm1      8.530 ppm2      2.030 CV     1
 ASSI {  502}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak   502 weight  0.10000E+01 volume  0.14099E-02 ppm1      8.382 ppm2      3.258 CV     1
 ASSI {  504}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 8    and name HB2 ))
      2.700     0.900     0.900 peak   504 weight  0.10000E+01 volume  0.27605E-02 ppm1      8.382 ppm2      2.752 CV     1
 ASSI {  506}
   (( segid "PAH2" and resid 9    and name HN  ))
   (( segid "PAH2" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   506 weight  0.10000E+01 volume  0.14818E-02 ppm1      8.376 ppm2      4.185 CV     1
 ASSI {  508}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 8    and name HA  ))
      3.800     1.800     1.800 peak   508 weight  0.10000E+01 volume  0.31396E-03 ppm1      8.014 ppm2      4.330 CV     1
 ASSI {  509}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   509 weight  0.10000E+01 volume  0.14790E-02 ppm1      8.011 ppm2      4.565 CV     1
 ASSI {  510}
   (( segid "PAH2" and resid 11   and name HN  ))
   (( segid "PAH2" and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   510 weight  0.10000E+01 volume  0.13135E-02 ppm1      8.266 ppm2      4.079 CV     1
 ASSI {  512}
   (( segid "PAH2" and resid 14   and name HN  ))
   (( segid "PAH2" and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   512 weight  0.10000E+01 volume  0.72554E-03 ppm1      8.583 ppm2      4.079 CV     1
 ASSI {  513}
   (( segid "PAH2" and resid 14   and name HN  ))
   (( segid "PAH2" and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   513 weight  0.10000E+01 volume  0.74586E-03 ppm1      8.583 ppm2      4.394 CV     1
 ASSI {  514}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   514 weight  0.10000E+01 volume  0.10772E-02 ppm1      8.011 ppm2      3.406 CV     1
 ASSI {  515}
   (( segid "PAH2" and resid 11   and name HN  ))
   (  segid "PAH2" and resid 10   and name HB% )
      2.600     0.800     0.800 peak   515 weight  0.10000E+01 volume  0.36481E-02 ppm1      8.266 ppm2      1.406 CV     1
 ASSI {  530}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   530 weight  0.10000E+01 volume  0.38599E-02 ppm1      8.011 ppm2      8.266 CV     1
 ASSI {  531}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 14   and name HN  ))
      4.300     2.300     1.700 peak   531 weight  0.10000E+01 volume  0.15567E-03 ppm1      8.011 ppm2      8.583 CV     1
 ASSI {  536}
   (( segid "PAH2" and resid 15   and name HN  ))
   (( segid "PAH2" and resid 13   and name HN  ))
      4.500     2.500     1.500 peak   536 weight  0.10000E+01 volume  0.11939E-03 ppm1      8.579 ppm2      8.115 CV     1
 ASSI {  592}
   (( segid "PAH2" and resid 77   and name HN  ))
   (( segid "PAH2" and resid 77   and name HA2 ))
      2.200     0.600     0.600 peak   592 weight  0.10000E+01 volume  0.81551E-02 ppm1      7.753 ppm2      3.845 CV     1
 ASSI {  593}
   (( segid "PAH2" and resid 77   and name HN  ))
   (( segid "PAH2" and resid 77   and name HA1 ))
      2.300     0.700     0.700 peak   593 weight  0.10000E+01 volume  0.59958E-02 ppm1      7.753 ppm2      3.463 CV     1
 ASSI {  601}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   601 weight  0.10000E+01 volume  0.24401E-02 ppm1      7.686 ppm2      5.170 CV     1
 ASSI {  606}
   (( segid "PAH2" and resid 61   and name HN  ))
   (( segid "PAH2" and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   606 weight  0.10000E+01 volume  0.32254E-02 ppm1      7.969 ppm2      4.037 CV     1
 ASSI {  623}
   (( segid "PAH2" and resid 10   and name HN  ))
   (( segid "PAH2" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak   623 weight  0.10000E+01 volume  0.18858E-02 ppm1      8.160 ppm2      3.096 CV     1
 ASSI {  626}
   (( segid "PAH2" and resid 10   and name HN  ))
   (( segid "PAH2" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   626 weight  0.10000E+01 volume  0.24413E-02 ppm1      8.160 ppm2      4.526 CV     1
 ASSI {  629}
   (( segid "PAH2" and resid 11   and name HN  ))
   (( segid "PAH2" and resid 11   and name HB  ))
      2.500     0.800     0.800 peak   629 weight  0.10000E+01 volume  0.45262E-02 ppm1      8.266 ppm2      1.736 CV     1
 ASSI {  631}
   (( segid "PAH2" and resid 11   and name HN  ))
   (  segid "PAH2" and resid 11   and name HG2%)
      3.000     1.100     1.100 peak   631 weight  0.10000E+01 volume  0.14226E-02 ppm1      8.266 ppm2      0.878 CV     1
 ASSI {  632}
   (( segid "PAH2" and resid 11   and name HN  ))
   (( segid "PAH2" and resid 11   and name HG13))
      2.900     1.000     1.000 peak   632 weight  0.10000E+01 volume  0.18133E-02 ppm1      8.266 ppm2      0.512 CV     1
 ASSI {  634}
   (( segid "PAH2" and resid 11   and name HN  ))
   (( segid "PAH2" and resid 7    and name HA  ))
      4.100     2.100     1.900 peak   634 weight  0.10000E+01 volume  0.20588E-03 ppm1      8.266 ppm2      4.537 CV     1
 ASSI {  635}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 15   and name HB3 ))
      3.700     1.700     1.700 peak   635 weight  0.10000E+01 volume  0.39011E-03 ppm1      8.013 ppm2      2.780 CV     1
 OR {  635}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 15   and name HB2 ))
 ASSI {  636}
   (( segid "PAH2" and resid 12   and name HN  ))
   (( segid "PAH2" and resid 11   and name HB  ))
      2.500     0.800     0.800 peak   636 weight  0.10000E+01 volume  0.40926E-02 ppm1      8.010 ppm2      1.726 CV     1
 ASSI {  641}
   (( segid "PAH2" and resid 13   and name HN  ))
   (( segid "PAH2" and resid 13   and name HB3 ))
      2.400     0.700     0.700 peak   641 weight  0.10000E+01 volume  0.54358E-02 ppm1      8.128 ppm2      3.447 CV     1
 ASSI {  642}
   (( segid "PAH2" and resid 13   and name HN  ))
   (( segid "PAH2" and resid 13   and name HB2 ))
      2.400     0.700     0.700 peak   642 weight  0.10000E+01 volume  0.52007E-02 ppm1      8.129 ppm2      2.822 CV     1
 ASSI {  644}
   (( segid "PAH2" and resid 13   and name HN  ))
   (  segid "PAH2" and resid 14   and name HG2%)
      3.500     1.500     1.500 peak   644 weight  0.10000E+01 volume  0.56128E-03 ppm1      8.129 ppm2      1.209 CV     1
 ASSI {  646}
   (( segid "PAH2" and resid 13   and name HN  ))
   (  segid "MAD1" and resid 205  and name HD1%)
      4.900     3.000     1.100 peak   646 weight  0.10000E+01 volume  0.73715E-04 ppm1      8.129 ppm2      0.881 CV     1
 ASSI {  647}
   (( segid "PAH2" and resid 13   and name HN  ))
   (  segid "MAD1" and resid 205  and name HD2%)
      4.900     3.000     1.100 peak   647 weight  0.10000E+01 volume  0.74122E-04 ppm1      8.129 ppm2      0.174 CV     1
 ASSI {  648}
   (( segid "PAH2" and resid 14   and name HN  ))
   (( segid "PAH2" and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   648 weight  0.10000E+01 volume  0.24825E-02 ppm1      8.583 ppm2      2.822 CV     1
 ASSI {  649}
   (( segid "PAH2" and resid 14   and name HN  ))
   (( segid "PAH2" and resid 14   and name HB  ))
      2.500     0.800     0.800 peak   649 weight  0.10000E+01 volume  0.42111E-02 ppm1      8.583 ppm2      2.017 CV     1
 ASSI {  650}
   (( segid "PAH2" and resid 14   and name HN  ))
   (  segid "PAH2" and resid 14   and name HG2%)
      2.200     0.600     0.600 peak   650 weight  0.10000E+01 volume  0.77546E-02 ppm1      8.582 ppm2      1.204 CV     1
 ASSI {  652}
   (( segid "PAH2" and resid 14   and name HN  ))
   (  segid "MAD1" and resid 205  and name HD2%)
      3.900     1.900     1.900 peak   652 weight  0.10000E+01 volume  0.26468E-03 ppm1      8.582 ppm2      0.157 CV     1
 ASSI {  653}
   (( segid "PAH2" and resid 14   and name HN  ))
   (  segid "PAH2" and resid 13   and name HD% )
      3.100     1.200     1.200 peak   653 weight  0.10000E+01 volume  0.10593E-02 ppm1      8.583 ppm2      6.948 CV     1
 ASSI {  654}
   (( segid "PAH2" and resid 15   and name HN  ))
   (( segid "PAH2" and resid 12   and name HA  ))
      3.300     1.400     1.400 peak   654 weight  0.10000E+01 volume  0.79404E-03 ppm1      8.579 ppm2      4.150 CV     1
 ASSI {  655}
   (( segid "PAH2" and resid 15   and name HN  ))
   (( segid "PAH2" and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   655 weight  0.10000E+01 volume  0.10442E-02 ppm1      8.579 ppm2      3.367 CV     1
 ASSI {  656}
   (( segid "PAH2" and resid 15   and name HN  ))
   (( segid "PAH2" and resid 15   and name HB2 ))
      2.100     0.600     0.600 peak   656 weight  0.10000E+01 volume  0.10784E-01 ppm1      8.579 ppm2      2.749 CV     1
 OR {  656}
   (( segid "PAH2" and resid 15   and name HN  ))
   (( segid "PAH2" and resid 15   and name HB3 ))
 ASSI {  657}
   (( segid "PAH2" and resid 15   and name HN  ))
   (( segid "PAH2" and resid 14   and name HB  ))
      2.700     0.900     0.900 peak   657 weight  0.10000E+01 volume  0.24436E-02 ppm1      8.579 ppm2      2.004 CV     1
 ASSI {  658}
   (( segid "PAH2" and resid 15   and name HN  ))
   (  segid "PAH2" and resid 14   and name HG1%)
      2.800     1.000     1.000 peak   658 weight  0.10000E+01 volume  0.22643E-02 ppm1      8.579 ppm2      1.196 CV     1
 OR {  658}
   (( segid "PAH2" and resid 15   and name HN  ))
   (  segid "PAH2" and resid 14   and name HG2%)
 ASSI {  659}
   (( segid "PAH2" and resid 15   and name HN  ))
   (  segid "MAD1" and resid 212  and name HD1%)
      2.700     0.900     0.900 peak   659 weight  0.10000E+01 volume  0.24355E-02 ppm1      8.579 ppm2      0.906 CV     1
 ASSI {  660}
   (( segid "PAH2" and resid 16   and name HN  ))
   (( segid "PAH2" and resid 15   and name HA  ))
      2.800     0.900     0.900 peak   660 weight  0.10000E+01 volume  0.22968E-02 ppm1      7.955 ppm2      4.377 CV     1
 ASSI {  661}
   (( segid "PAH2" and resid 16   and name HN  ))
   (( segid "PAH2" and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak   661 weight  0.10000E+01 volume  0.39162E-02 ppm1      7.955 ppm2      2.761 CV     1
 ASSI {  662}
   (( segid "PAH2" and resid 16   and name HN  ))
   (( segid "PAH2" and resid 16   and name HB2 ))
      2.100     0.600     0.600 peak   662 weight  0.10000E+01 volume  0.10651E-01 ppm1      7.955 ppm2      1.941 CV     1
 OR {  662}
   (( segid "PAH2" and resid 16   and name HN  ))
   (( segid "PAH2" and resid 16   and name HB3 ))
 ASSI {  666}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 14   and name HA  ))
      3.200     1.300     1.300 peak   666 weight  0.10000E+01 volume  0.85730E-03 ppm1      7.639 ppm2      3.357 CV     1
 ASSI {  667}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 16   and name HA  ))
      3.500     1.600     1.600 peak   667 weight  0.10000E+01 volume  0.50399E-03 ppm1      7.639 ppm2      3.823 CV     1
 ASSI {  668}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 15   and name HA  ))
      4.300     2.300     1.700 peak   668 weight  0.10000E+01 volume  0.16136E-03 ppm1      7.639 ppm2      4.365 CV     1
 ASSI {  669}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 16   and name HB3 ))
      2.900     1.000     1.000 peak   669 weight  0.10000E+01 volume  0.17790E-02 ppm1      7.639 ppm2      1.972 CV     1
 ASSI {  670}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 17   and name HB  ))
      2.400     0.700     0.700 peak   670 weight  0.10000E+01 volume  0.56133E-02 ppm1      7.639 ppm2      1.821 CV     1
 ASSI {  673}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 17   and name HG13))
      2.500     0.800     0.800 peak   673 weight  0.10000E+01 volume  0.40108E-02 ppm1      7.639 ppm2      1.040 CV     1
 ASSI {  676}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 17   and name HG12))
      2.800     1.000     1.000 peak   676 weight  0.10000E+01 volume  0.19717E-02 ppm1      7.639 ppm2      0.334 CV     1
 ASSI {  679}
   (( segid "PAH2" and resid 18   and name HN  ))
   (  segid "PAH2" and resid 28   and name HD% )
      3.600     1.600     1.600 peak   679 weight  0.10000E+01 volume  0.46138E-03 ppm1      8.361 ppm2      7.002 CV     1
 ASSI {  680}
   (( segid "PAH2" and resid 18   and name HN  ))
   (  segid "PAH2" and resid 28   and name HE% )
      3.300     1.400     1.400 peak   680 weight  0.10000E+01 volume  0.71335E-03 ppm1      8.364 ppm2      6.709 CV     1
 ASSI {  681}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   681 weight  0.10000E+01 volume  0.11127E-02 ppm1      8.359 ppm2      4.365 CV     1
 ASSI {  682}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   682 weight  0.10000E+01 volume  0.32151E-02 ppm1      8.359 ppm2      1.795 CV     1
 ASSI {  684}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak   684 weight  0.10000E+01 volume  0.55385E-02 ppm1      8.359 ppm2      1.216 CV     1
 ASSI {  686}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 18   and name HG2 ))
      3.400     1.500     1.500 peak   686 weight  0.10000E+01 volume  0.63557E-03 ppm1      8.359 ppm2      0.498 CV     1
 ASSI {  687}
   (( segid "PAH2" and resid 18   and name HN  ))
   (  segid "PAH2" and resid 17   and name HD1%)
      4.200     2.200     1.800 peak   687 weight  0.10000E+01 volume  0.18487E-03 ppm1      8.359 ppm2     -0.018 CV     1
 ASSI {  691}
   (( segid "PAH2" and resid 19   and name HN  ))
   (  segid "PAH2" and resid 28   and name HD% )
      5.100     3.200     0.900 peak   691 weight  0.10000E+01 volume  0.58856E-04 ppm1      8.091 ppm2      6.997 CV     1
 ASSI {  693}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 18   and name HA  ))
      3.200     1.300     1.300 peak   693 weight  0.10000E+01 volume  0.86601E-03 ppm1      8.091 ppm2      3.068 CV     1
 ASSI {  698}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 18   and name HB3 ))
      2.600     0.900     0.900 peak   698 weight  0.10000E+01 volume  0.29149E-02 ppm1      8.091 ppm2      1.581 CV     1
 ASSI {  700}
   (( segid "PAH2" and resid 19   and name HN  ))
   (  segid "PAH2" and resid 22   and name HD2%)
      4.100     2.100     1.900 peak   700 weight  0.10000E+01 volume  0.21395E-03 ppm1      8.091 ppm2      0.863 CV     1
 OR {  700}
   (( segid "PAH2" and resid 19   and name HN  ))
   (  segid "PAH2" and resid 22   and name HD1%)
 ASSI {  703}
   (( segid "PAH2" and resid 20   and name HN  ))
   (  segid "PAH2" and resid 72   and name HD1%)
      5.600     3.900     0.400 peak   703 weight  0.10000E+01 volume  0.32585E-04 ppm1      7.992 ppm2      0.150 CV     1
 ASSI {  704}
   (( segid "PAH2" and resid 20   and name HN  ))
   (( segid "PAH2" and resid 20   and name HG2 ))
      3.400     1.400     1.400 peak   704 weight  0.10000E+01 volume  0.65415E-03 ppm1      7.995 ppm2      0.435 CV     1
 ASSI {  706}
   (( segid "PAH2" and resid 20   and name HN  ))
   (( segid "PAH2" and resid 20   and name HB3 ))
      2.400     0.700     0.700 peak   706 weight  0.10000E+01 volume  0.56917E-02 ppm1      7.995 ppm2      1.090 CV     1
 ASSI {  707}
   (( segid "PAH2" and resid 20   and name HN  ))
   (( segid "PAH2" and resid 20   and name HB2 ))
      2.400     0.700     0.700 peak   707 weight  0.10000E+01 volume  0.49743E-02 ppm1      7.995 ppm2      1.578 CV     1
 ASSI {  710}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 21   and name HB3 ))
      2.700     0.900     0.900 peak   710 weight  0.10000E+01 volume  0.28644E-02 ppm1      7.209 ppm2      3.915 CV     1
 ASSI {  711}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 20   and name HA  ))
      2.900     1.000     1.000 peak   711 weight  0.10000E+01 volume  0.17134E-02 ppm1      7.209 ppm2      3.764 CV     1
 ASSI {  712}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 20   and name HD2 ))
      3.000     1.100     1.100 peak   712 weight  0.10000E+01 volume  0.14232E-02 ppm1      7.209 ppm2      3.074 CV     1
 OR {  712}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 20   and name HD3 ))
 ASSI {  713}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak   713 weight  0.10000E+01 volume  0.28761E-02 ppm1      7.209 ppm2      2.409 CV     1
 ASSI {  715}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 20   and name HB2 ))
      2.900     1.000     1.000 peak   715 weight  0.10000E+01 volume  0.17297E-02 ppm1      7.209 ppm2      1.581 CV     1
 ASSI {  716}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 20   and name HB3 ))
      2.800     1.000     1.000 peak   716 weight  0.10000E+01 volume  0.22283E-02 ppm1      7.208 ppm2      1.075 CV     1
 ASSI {  717}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 20   and name HG3 ))
      3.700     1.700     1.700 peak   717 weight  0.10000E+01 volume  0.37943E-03 ppm1      7.207 ppm2      0.844 CV     1
 ASSI {  718}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 20   and name HG2 ))
      3.900     1.900     1.900 peak   718 weight  0.10000E+01 volume  0.27484E-03 ppm1      7.206 ppm2      0.442 CV     1
 ASSI {  719}
   (( segid "PAH2" and resid 22   and name HN  ))
   (( segid "PAH2" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   719 weight  0.10000E+01 volume  0.19416E-02 ppm1      7.225 ppm2      4.964 CV     1
 ASSI {  721}
   (( segid "PAH2" and resid 22   and name HN  ))
   (( segid "PAH2" and resid 21   and name HB2 ))
      4.300     2.300     1.700 peak   721 weight  0.10000E+01 volume  0.15300E-03 ppm1      7.224 ppm2      2.422 CV     1
 ASSI {  723}
   (( segid "PAH2" and resid 22   and name HN  ))
   (( segid "PAH2" and resid 22   and name HB2 ))
      2.200     0.600     0.600 peak   723 weight  0.10000E+01 volume  0.99602E-02 ppm1      7.224 ppm2      1.795 CV     1
 ASSI {  726}
   (( segid "PAH2" and resid 22   and name HN  ))
   (  segid "PAH2" and resid 22   and name HD2%)
      2.800     1.000     1.000 peak   726 weight  0.10000E+01 volume  0.19514E-02 ppm1      7.224 ppm2      0.866 CV     1
 OR {  726}
   (( segid "PAH2" and resid 22   and name HN  ))
   (  segid "PAH2" and resid 22   and name HD1%)
 ASSI {  728}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 21   and name HA  ))
      3.300     1.400     1.400 peak   728 weight  0.10000E+01 volume  0.78417E-03 ppm1      8.666 ppm2      4.981 CV     1
 ASSI {  729}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   729 weight  0.10000E+01 volume  0.14575E-02 ppm1      8.666 ppm2      3.990 CV     1
 ASSI {  730}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      3.900     1.900     1.900 peak   730 weight  0.10000E+01 volume  0.28871E-03 ppm1      8.666 ppm2      3.714 CV     1
 ASSI {  732}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 23   and name HB2 ))
      2.300     0.700     0.700 peak   732 weight  0.10000E+01 volume  0.68491E-02 ppm1      8.666 ppm2      2.522 CV     1
 OR {  732}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 23   and name HB3 ))
 ASSI {  733}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 22   and name HB2 ))
      2.900     1.000     1.000 peak   733 weight  0.10000E+01 volume  0.18492E-02 ppm1      8.666 ppm2      1.795 CV     1
 ASSI {  734}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 22   and name HB3 ))
      2.700     0.900     0.900 peak   734 weight  0.10000E+01 volume  0.24059E-02 ppm1      8.666 ppm2      1.556 CV     1
 ASSI {  735}
   (( segid "PAH2" and resid 23   and name HN  ))
   (  segid "PAH2" and resid 22   and name HD2%)
      3.600     1.700     1.700 peak   735 weight  0.10000E+01 volume  0.43556E-03 ppm1      8.666 ppm2      0.866 CV     1
 OR {  735}
   (( segid "PAH2" and resid 23   and name HN  ))
   (  segid "PAH2" and resid 22   and name HD1%)
 ASSI {  736}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 21   and name HA  ))
      3.200     1.300     1.300 peak   736 weight  0.10000E+01 volume  0.93043E-03 ppm1      7.686 ppm2      4.966 CV     1
 ASSI {  737}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak   737 weight  0.10000E+01 volume  0.18620E-02 ppm1      7.686 ppm2      4.517 CV     1
 ASSI {  738}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 21   and name HB3 ))
      2.900     1.000     1.000 peak   738 weight  0.10000E+01 volume  0.18702E-02 ppm1      7.686 ppm2      3.952 CV     1
 ASSI {  739}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      3.000     1.200     1.200 peak   739 weight  0.10000E+01 volume  0.12577E-02 ppm1      7.686 ppm2      3.701 CV     1
 ASSI {  740}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 24   and name HB2 ))
      2.600     0.800     0.800 peak   740 weight  0.10000E+01 volume  0.33822E-02 ppm1      7.686 ppm2      3.463 CV     1
 ASSI {  741}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 24   and name HB3 ))
      2.700     0.900     0.900 peak   741 weight  0.10000E+01 volume  0.24941E-02 ppm1      7.686 ppm2      2.961 CV     1
 ASSI {  742}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 23   and name HB3 ))
      2.800     1.000     1.000 peak   742 weight  0.10000E+01 volume  0.18748E-02 ppm1      7.686 ppm2      2.510 CV     1
 OR {  742}
   (( segid "PAH2" and resid 24   and name HN  ))
   (( segid "PAH2" and resid 23   and name HB2 ))
 ASSI {  743}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 25   and name HA  ))
      3.500     1.500     1.500 peak   743 weight  0.10000E+01 volume  0.55948E-03 ppm1     10.319 ppm2      4.429 CV     1
 ASSI {  744}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   744 weight  0.10000E+01 volume  0.11980E-02 ppm1     10.319 ppm2      5.157 CV     1
 ASSI {  745}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      2.900     1.000     1.000 peak   745 weight  0.10000E+01 volume  0.17947E-02 ppm1     10.319 ppm2      3.676 CV     1
 ASSI {  746}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 25   and name HD3 ))
      3.200     1.200     1.200 peak   746 weight  0.10000E+01 volume  0.10268E-02 ppm1     10.319 ppm2      3.476 CV     1
 ASSI {  750}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 26   and name HG2 ))
      2.900     1.000     1.000 peak   750 weight  0.10000E+01 volume  0.17221E-02 ppm1     10.319 ppm2      2.510 CV     1
 ASSI {  751}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 26   and name HG3 ))
      2.900     1.000     1.000 peak   751 weight  0.10000E+01 volume  0.17506E-02 ppm1     10.319 ppm2      2.322 CV     1
 ASSI {  753}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 27   and name HG12))
      3.400     1.400     1.400 peak   753 weight  0.10000E+01 volume  0.68027E-03 ppm1     10.319 ppm2      1.494 CV     1
 OR {  753}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 27   and name HB  ))
 ASSI {  755}
   (( segid "PAH2" and resid 27   and name HN  ))
   (( segid "PAH2" and resid 26   and name HA  ))
      3.200     1.300     1.300 peak   755 weight  0.10000E+01 volume  0.99893E-03 ppm1      8.200 ppm2      4.170 CV     1
 ASSI {  756}
   (( segid "PAH2" and resid 27   and name HN  ))
   (( segid "PAH2" and resid 24   and name HB2 ))
      4.100     2.100     1.900 peak   756 weight  0.10000E+01 volume  0.22625E-03 ppm1      8.200 ppm2      3.422 CV     1
 ASSI {  757}
   (( segid "PAH2" and resid 27   and name HN  ))
   (( segid "PAH2" and resid 24   and name HB3 ))
      4.500     2.500     1.500 peak   757 weight  0.10000E+01 volume  0.11922E-03 ppm1      8.199 ppm2      2.973 CV     1
 ASSI {  758}
   (( segid "PAH2" and resid 27   and name HN  ))
   (( segid "PAH2" and resid 26   and name HG2 ))
      4.000     2.000     2.000 peak   758 weight  0.10000E+01 volume  0.26305E-03 ppm1      8.200 ppm2      2.497 CV     1
 ASSI {  759}
   (( segid "PAH2" and resid 27   and name HN  ))
   (( segid "PAH2" and resid 26   and name HG3 ))
      3.000     1.200     1.200 peak   759 weight  0.10000E+01 volume  0.12515E-02 ppm1      8.200 ppm2      2.300 CV     1
 ASSI {  760}
   (( segid "PAH2" and resid 27   and name HN  ))
   (( segid "PAH2" and resid 27   and name HB  ))
      2.300     0.700     0.700 peak   760 weight  0.10000E+01 volume  0.69768E-02 ppm1      8.201 ppm2      1.484 CV     1
 ASSI {  761}
   (( segid "PAH2" and resid 27   and name HN  ))
   (( segid "PAH2" and resid 27   and name HG13))
      2.900     1.000     1.000 peak   761 weight  0.10000E+01 volume  0.17547E-02 ppm1      8.200 ppm2      1.117 CV     1
 ASSI {  763}
   (( segid "PAH2" and resid 27   and name HN  ))
   (  segid "PAH2" and resid 27   and name HG2%)
      3.100     1.200     1.200 peak   763 weight  0.10000E+01 volume  0.11910E-02 ppm1      8.198 ppm2     -0.053 CV     1
 ASSI {  766}
   (( segid "PAH2" and resid 28   and name HN  ))
   (( segid "PAH2" and resid 28   and name HB2 ))
      2.600     0.800     0.800 peak   766 weight  0.10000E+01 volume  0.33056E-02 ppm1      6.700 ppm2      3.239 CV     1
 ASSI {  767}
   (( segid "PAH2" and resid 28   and name HN  ))
   (( segid "PAH2" and resid 28   and name HB3 ))
      2.600     0.800     0.800 peak   767 weight  0.10000E+01 volume  0.33804E-02 ppm1      6.700 ppm2      3.124 CV     1
 ASSI {  768}
   (( segid "PAH2" and resid 28   and name HN  ))
   (( segid "PAH2" and resid 27   and name HB  ))
      2.800     1.000     1.000 peak   768 weight  0.10000E+01 volume  0.20391E-02 ppm1      6.700 ppm2      1.494 CV     1
 ASSI {  770}
   (( segid "PAH2" and resid 28   and name HN  ))
   (  segid "PAH2" and resid 27   and name HG2%)
      3.600     1.600     1.600 peak   770 weight  0.10000E+01 volume  0.47590E-03 ppm1      6.700 ppm2     -0.046 CV     1
 ASSI {  771}
   (( segid "PAH2" and resid 28   and name HN  ))
   (  segid "PAH2" and resid 28   and name HD% )
      3.300     1.300     1.300 peak   771 weight  0.10000E+01 volume  0.81319E-03 ppm1      6.700 ppm2      7.013 CV     1
 ASSI {  773}
   (( segid "PAH2" and resid 29   and name HN  ))
   (( segid "PAH2" and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   773 weight  0.10000E+01 volume  0.20815E-02 ppm1      8.292 ppm2      4.166 CV     1
 ASSI {  774}
   (( segid "PAH2" and resid 29   and name HN  ))
   (( segid "PAH2" and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak   774 weight  0.10000E+01 volume  0.42058E-02 ppm1      8.293 ppm2      3.177 CV     1
 ASSI {  775}
   (( segid "PAH2" and resid 29   and name HN  ))
   (( segid "PAH2" and resid 29   and name HB2 ))
      2.200     0.600     0.600 peak   775 weight  0.10000E+01 volume  0.94611E-02 ppm1      8.292 ppm2      1.883 CV     1
 ASSI {  776}
   (( segid "PAH2" and resid 29   and name HN  ))
   (( segid "PAH2" and resid 29   and name HG2 ))
      2.900     1.100     1.100 peak   776 weight  0.10000E+01 volume  0.15991E-02 ppm1      8.292 ppm2      1.644 CV     1
 ASSI {  778}
   (( segid "PAH2" and resid 30   and name HN  ))
   (( segid "PAH2" and resid 30   and name HB2 ))
      2.600     0.800     0.800 peak   778 weight  0.10000E+01 volume  0.35644E-02 ppm1      8.271 ppm2      3.839 CV     1
 OR {  778}
   (( segid "PAH2" and resid 30   and name HN  ))
   (( segid "PAH2" and resid 30   and name HB3 ))
 ASSI {  779}
   (( segid "PAH2" and resid 30   and name HN  ))
   (( segid "PAH2" and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   779 weight  0.10000E+01 volume  0.15625E-02 ppm1      8.271 ppm2      3.676 CV     1
 ASSI {  780}
   (( segid "PAH2" and resid 30   and name HN  ))
   (( segid "PAH2" and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak   780 weight  0.10000E+01 volume  0.46580E-02 ppm1      8.271 ppm2      1.883 CV     1
 ASSI {  781}
   (( segid "PAH2" and resid 30   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD1%)
      3.100     1.200     1.200 peak   781 weight  0.10000E+01 volume  0.10779E-02 ppm1      8.271 ppm2      0.754 CV     1
 OR {  781}
   (( segid "PAH2" and resid 30   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD2%)
 ASSI {  783}
   (( segid "PAH2" and resid 31   and name HN  ))
   (( segid "PAH2" and resid 31   and name HB3 ))
      2.500     0.800     0.800 peak   783 weight  0.10000E+01 volume  0.42685E-02 ppm1      8.096 ppm2      3.476 CV     1
 ASSI {  784}
   (( segid "PAH2" and resid 31   and name HN  ))
   (( segid "PAH2" and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak   784 weight  0.10000E+01 volume  0.38744E-02 ppm1      8.096 ppm2      2.999 CV     1
 ASSI {  785}
   (( segid "PAH2" and resid 31   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD1%)
      2.600     0.800     0.800 peak   785 weight  0.10000E+01 volume  0.33671E-02 ppm1      8.096 ppm2      0.754 CV     1
 ASSI {  787}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 31   and name HB2 ))
      3.300     1.400     1.400 peak   787 weight  0.10000E+01 volume  0.77836E-03 ppm1      7.634 ppm2      2.986 CV     1
 ASSI {  788}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 32   and name HB2 ))
      2.600     0.900     0.900 peak   788 weight  0.10000E+01 volume  0.31802E-02 ppm1      7.634 ppm2      1.732 CV     1
 ASSI {  789}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 32   and name HG  ))
      2.500     0.800     0.800 peak   789 weight  0.10000E+01 volume  0.45181E-02 ppm1      7.634 ppm2      1.368 CV     1
 ASSI {  790}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 32   and name HB3 ))
      2.900     1.100     1.100 peak   790 weight  0.10000E+01 volume  0.16397E-02 ppm1      7.634 ppm2      1.105 CV     1
 ASSI {  791}
   (( segid "PAH2" and resid 32   and name HN  ))
   (  segid "PAH2" and resid 32   and name HD2%)
      2.500     0.800     0.800 peak   791 weight  0.10000E+01 volume  0.38274E-02 ppm1      7.634 ppm2      0.578 CV     1
 OR {  791}
   (( segid "PAH2" and resid 32   and name HN  ))
   (  segid "PAH2" and resid 32   and name HD1%)
 ASSI {  792}
   (( segid "PAH2" and resid 32   and name HN  ))
   (  segid "PAH2" and resid 31   and name HD% )
      3.000     1.100     1.100 peak   792 weight  0.10000E+01 volume  0.13432E-02 ppm1      7.634 ppm2      6.800 CV     1
 ASSI {  795}
   (( segid "PAH2" and resid 33   and name HN  ))
   (( segid "PAH2" and resid 29   and name HA  ))
      3.700     1.700     1.700 peak   795 weight  0.10000E+01 volume  0.39156E-03 ppm1      8.054 ppm2      3.701 CV     1
 ASSI {  796}
   (( segid "PAH2" and resid 33   and name HN  ))
   (( segid "PAH2" and resid 32   and name HA  ))
      3.200     1.300     1.300 peak   796 weight  0.10000E+01 volume  0.96875E-03 ppm1      8.054 ppm2      3.438 CV     1
 ASSI {  799}
   (( segid "PAH2" and resid 33   and name HN  ))
   (( segid "PAH2" and resid 32   and name HB2 ))
      2.600     0.800     0.800 peak   799 weight  0.10000E+01 volume  0.32220E-02 ppm1      8.054 ppm2      1.745 CV     1
 ASSI {  800}
   (( segid "PAH2" and resid 33   and name HN  ))
   (( segid "PAH2" and resid 32   and name HG  ))
      3.400     1.500     1.500 peak   800 weight  0.10000E+01 volume  0.62802E-03 ppm1      8.054 ppm2      1.355 CV     1
 ASSI {  801}
   (( segid "PAH2" and resid 33   and name HN  ))
   (( segid "PAH2" and resid 32   and name HB3 ))
      3.000     1.200     1.200 peak   801 weight  0.10000E+01 volume  0.12515E-02 ppm1      8.052 ppm2      1.103 CV     1
 ASSI {  802}
   (( segid "PAH2" and resid 33   and name HN  ))
   (  segid "PAH2" and resid 32   and name HD1%)
      3.000     1.200     1.200 peak   802 weight  0.10000E+01 volume  0.12538E-02 ppm1      8.054 ppm2      0.580 CV     1
 OR {  802}
   (( segid "PAH2" and resid 33   and name HN  ))
   (  segid "PAH2" and resid 32   and name HD2%)
 ASSI {  804}
   (( segid "PAH2" and resid 34   and name HN  ))
   (( segid "PAH2" and resid 33   and name HA  ))
      3.100     1.200     1.200 peak   804 weight  0.10000E+01 volume  0.11109E-02 ppm1      7.999 ppm2      4.103 CV     1
 ASSI {  806}
   (( segid "PAH2" and resid 34   and name HN  ))
   (( segid "PAH2" and resid 34   and name HB  ))
      2.100     0.600     0.600 peak   806 weight  0.10000E+01 volume  0.10570E-01 ppm1      7.998 ppm2      1.749 CV     1
 OR {  806}
   (( segid "PAH2" and resid 34   and name HN  ))
   (( segid "PAH2" and resid 34   and name HG12))
 ASSI {  808}
   (( segid "PAH2" and resid 34   and name HN  ))
   (  segid "PAH2" and resid 34   and name HD1%)
      2.500     0.800     0.800 peak   808 weight  0.10000E+01 volume  0.43654E-02 ppm1      7.998 ppm2      0.709 CV     1
 OR {  808}
   (( segid "PAH2" and resid 34   and name HN  ))
   (  segid "PAH2" and resid 34   and name HG2%)
 ASSI {  810}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 32   and name HA  ))
      3.300     1.400     1.400 peak   810 weight  0.10000E+01 volume  0.73889E-03 ppm1      7.326 ppm2      3.413 CV     1
 ASSI {  812}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 35   and name HG  ))
      2.500     0.800     0.800 peak   812 weight  0.10000E+01 volume  0.40451E-02 ppm1      7.326 ppm2      1.331 CV     1
 ASSI {  813}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 35   and name HB3 ))
      2.800     1.000     1.000 peak   813 weight  0.10000E+01 volume  0.19450E-02 ppm1      7.326 ppm2      1.090 CV     1
 ASSI {  817}
   (( segid "PAH2" and resid 36   and name HN  ))
   (( segid "PAH2" and resid 35   and name HA  ))
      3.400     1.400     1.400 peak   817 weight  0.10000E+01 volume  0.68143E-03 ppm1      8.722 ppm2      3.803 CV     1
 ASSI {  818}
   (( segid "PAH2" and resid 36   and name HN  ))
   (( segid "PAH2" and resid 36   and name HB2 ))
      2.200     0.600     0.600 peak   818 weight  0.10000E+01 volume  0.78301E-02 ppm1      8.722 ppm2      3.225 CV     1
 ASSI {  819}
   (( segid "PAH2" and resid 36   and name HN  ))
   (( segid "PAH2" and resid 35   and name HB2 ))
      2.900     1.000     1.000 peak   819 weight  0.10000E+01 volume  0.17668E-02 ppm1      8.722 ppm2      1.688 CV     1
 ASSI {  820}
   (( segid "PAH2" and resid 36   and name HN  ))
   (( segid "PAH2" and resid 35   and name HG  ))
      3.800     1.800     1.800 peak   820 weight  0.10000E+01 volume  0.33085E-03 ppm1      8.722 ppm2      1.331 CV     1
 ASSI {  821}
   (( segid "PAH2" and resid 36   and name HN  ))
   (( segid "PAH2" and resid 35   and name HB3 ))
      3.200     1.300     1.300 peak   821 weight  0.10000E+01 volume  0.98152E-03 ppm1      8.722 ppm2      1.130 CV     1
 ASSI {  822}
   (( segid "PAH2" and resid 36   and name HN  ))
   (  segid "MAD1" and resid 206  and name HD1%)
      3.000     1.100     1.100 peak   822 weight  0.10000E+01 volume  0.13826E-02 ppm1      8.722 ppm2      0.528 CV     1
 ASSI {  823}
   (( segid "PAH2" and resid 37   and name HN  ))
   (( segid "PAH2" and resid 34   and name HA  ))
      3.500     1.500     1.500 peak   823 weight  0.10000E+01 volume  0.56046E-03 ppm1      8.553 ppm2      3.668 CV     1
 ASSI {  824}
   (( segid "PAH2" and resid 37   and name HN  ))
   (( segid "PAH2" and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak   824 weight  0.10000E+01 volume  0.35569E-02 ppm1      8.553 ppm2      3.194 CV     1
 OR {  824}
   (( segid "PAH2" and resid 37   and name HN  ))
   (( segid "PAH2" and resid 36   and name HB3 ))
 ASSI {  826}
   (( segid "PAH2" and resid 37   and name HN  ))
   (( segid "PAH2" and resid 33   and name HA  ))
      3.400     1.400     1.400 peak   826 weight  0.10000E+01 volume  0.65821E-03 ppm1      8.553 ppm2      4.093 CV     1
 ASSI {  827}
   (( segid "PAH2" and resid 37   and name HN  ))
   (( segid "PAH2" and resid 37   and name HB  ))
      2.400     0.700     0.700 peak   827 weight  0.10000E+01 volume  0.52889E-02 ppm1      8.553 ppm2      4.405 CV     1
 ASSI {  830}
   (( segid "PAH2" and resid 38   and name HN  ))
   (( segid "PAH2" and resid 38   and name HB3 ))
      2.200     0.600     0.600 peak   830 weight  0.10000E+01 volume  0.89213E-02 ppm1      8.185 ppm2      3.131 CV     1
 OR {  830}
   (( segid "PAH2" and resid 38   and name HN  ))
   (( segid "PAH2" and resid 38   and name HB2 ))
 ASSI {  831}
   (( segid "PAH2" and resid 38   and name HN  ))
   (  segid "PAH2" and resid 38   and name HD% )
      3.000     1.100     1.100 peak   831 weight  0.10000E+01 volume  0.13013E-02 ppm1      8.185 ppm2      6.925 CV     1
 ASSI {  834}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   834 weight  0.10000E+01 volume  0.10314E-02 ppm1      8.344 ppm2      4.130 CV     1
 ASSI {  835}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak   835 weight  0.10000E+01 volume  0.28250E-02 ppm1      8.344 ppm2      3.144 CV     1
 ASSI {  836}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 39   and name HG2 ))
      2.900     1.100     1.100 peak   836 weight  0.10000E+01 volume  0.15335E-02 ppm1      8.344 ppm2      2.342 CV     1
 OR {  836}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 39   and name HG3 ))
 ASSI {  837}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 39   and name HB3 ))
      2.300     0.700     0.700 peak   837 weight  0.10000E+01 volume  0.61584E-02 ppm1      8.344 ppm2      2.111 CV     1
 ASSI {  843}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 36   and name HA  ))
      3.800     1.800     1.800 peak   843 weight  0.10000E+01 volume  0.34850E-03 ppm1      8.150 ppm2      4.193 CV     1
 ASSI {  845}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 39   and name HG2 ))
      3.500     1.500     1.500 peak   845 weight  0.10000E+01 volume  0.58740E-03 ppm1      8.150 ppm2      2.332 CV     1
 OR {  845}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 39   and name HG3 ))
 ASSI {  846}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 39   and name HB3 ))
      2.600     0.800     0.800 peak   846 weight  0.10000E+01 volume  0.33671E-02 ppm1      8.150 ppm2      2.107 CV     1
 OR {  846}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 39   and name HB2 ))
 ASSI {  847}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 40   and name HB2 ))
      2.100     0.600     0.600 peak   847 weight  0.10000E+01 volume  0.10744E-01 ppm1      8.150 ppm2      1.894 CV     1
 ASSI {  848}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 40   and name HG3 ))
      2.800     1.000     1.000 peak   848 weight  0.10000E+01 volume  0.20200E-02 ppm1      8.150 ppm2      1.479 CV     1
 ASSI {  849}
   (( segid "PAH2" and resid 41   and name HN  ))
   (( segid "PAH2" and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   849 weight  0.10000E+01 volume  0.22207E-02 ppm1      7.873 ppm2      3.993 CV     1
 ASSI {  852}
   (( segid "PAH2" and resid 41   and name HN  ))
   (( segid "PAH2" and resid 40   and name HB2 ))
      2.200     0.600     0.600 peak   852 weight  0.10000E+01 volume  0.93160E-02 ppm1      7.873 ppm2      1.907 CV     1
 ASSI {  853}
   (( segid "PAH2" and resid 41   and name HN  ))
   (( segid "PAH2" and resid 40   and name HG3 ))
      4.100     2.100     1.900 peak   853 weight  0.10000E+01 volume  0.20385E-03 ppm1      7.873 ppm2      1.482 CV     1
 OR {  853}
   (( segid "PAH2" and resid 41   and name HN  ))
   (( segid "PAH2" and resid 40   and name HG2 ))
 ASSI {  854}
   (( segid "PAH2" and resid 42   and name HN  ))
   (( segid "PAH2" and resid 41   and name HA  ))
      2.900     1.100     1.100 peak   854 weight  0.10000E+01 volume  0.16166E-02 ppm1      7.658 ppm2      4.168 CV     1
 ASSI {  855}
   (( segid "PAH2" and resid 42   and name HN  ))
   (( segid "PAH2" and resid 39   and name HA  ))
      3.300     1.400     1.400 peak   855 weight  0.10000E+01 volume  0.75920E-03 ppm1      7.658 ppm2      3.906 CV     1
 ASSI {  857}
   (( segid "PAH2" and resid 42   and name HN  ))
   (( segid "PAH2" and resid 42   and name HB2 ))
      2.500     0.800     0.800 peak   857 weight  0.10000E+01 volume  0.44078E-02 ppm1      7.656 ppm2      1.873 CV     1
 ASSI {  858}
   (( segid "PAH2" and resid 42   and name HN  ))
   (( segid "PAH2" and resid 42   and name HB3 ))
      2.200     0.600     0.600 peak   858 weight  0.10000E+01 volume  0.83002E-02 ppm1      7.655 ppm2      2.057 CV     1
 ASSI {  862}
   (( segid "PAH2" and resid 43   and name HN  ))
   (( segid "PAH2" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   862 weight  0.10000E+01 volume  0.28986E-02 ppm1      7.517 ppm2      4.056 CV     1
 ASSI {  863}
   (( segid "PAH2" and resid 43   and name HN  ))
   (( segid "PAH2" and resid 42   and name HB3 ))
      2.900     1.000     1.000 peak   863 weight  0.10000E+01 volume  0.17523E-02 ppm1      7.517 ppm2      2.057 CV     1
 ASSI {  864}
   (( segid "PAH2" and resid 43   and name HN  ))
   (( segid "PAH2" and resid 42   and name HB2 ))
      3.000     1.200     1.200 peak   864 weight  0.10000E+01 volume  0.12526E-02 ppm1      7.517 ppm2      1.869 CV     1
 ASSI {  865}
   (( segid "PAH2" and resid 43   and name HN  ))
   (( segid "PAH2" and resid 43   and name HG  ))
      2.200     0.600     0.600 peak   865 weight  0.10000E+01 volume  0.92173E-02 ppm1      7.517 ppm2      1.632 CV     1
 ASSI {  867}
   (( segid "PAH2" and resid 43   and name HN  ))
   (  segid "PAH2" and resid 43   and name HD2%)
      3.000     1.100     1.100 peak   867 weight  0.10000E+01 volume  0.13641E-02 ppm1      7.517 ppm2      0.845 CV     1
 OR {  867}
   (( segid "PAH2" and resid 43   and name HN  ))
   (  segid "PAH2" and resid 43   and name HD1%)
 ASSI {  868}
   (( segid "PAH2" and resid 44   and name HN  ))
   (( segid "PAH2" and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   868 weight  0.10000E+01 volume  0.19154E-02 ppm1      8.239 ppm2      4.218 CV     1
 ASSI {  869}
   (( segid "PAH2" and resid 44   and name HN  ))
   (( segid "PAH2" and resid 44   and name HB2 ))
      3.000     1.100     1.100 peak   869 weight  0.10000E+01 volume  0.15166E-02 ppm1      8.239 ppm2      3.094 CV     1
 OR {  869}
   (( segid "PAH2" and resid 44   and name HN  ))
   (( segid "PAH2" and resid 44   and name HB3 ))
 ASSI {  870}
   (( segid "PAH2" and resid 45   and name HN  ))
   (  segid "PAH2" and resid 45   and name HG2%)
      3.900     1.900     1.900 peak   870 weight  0.10000E+01 volume  0.26805E-03 ppm1      8.011 ppm2      1.145 CV     1
 ASSI {  871}
   (( segid "PAH2" and resid 45   and name HN  ))
   (( segid "PAH2" and resid 44   and name HA  ))
      3.000     1.100     1.100 peak   871 weight  0.10000E+01 volume  0.13577E-02 ppm1      8.011 ppm2      4.655 CV     1
 ASSI {  873}
   (( segid "PAH2" and resid 46   and name HN  ))
   (( segid "PAH2" and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak   873 weight  0.10000E+01 volume  0.45883E-02 ppm1      8.382 ppm2      1.794 CV     1
 ASSI {  874}
   (( segid "PAH2" and resid 46   and name HN  ))
   (( segid "PAH2" and resid 46   and name HG2 ))
      3.600     1.700     1.700 peak   874 weight  0.10000E+01 volume  0.43028E-03 ppm1      8.382 ppm2      1.420 CV     1
 OR {  874}
   (( segid "PAH2" and resid 46   and name HN  ))
   (( segid "PAH2" and resid 46   and name HG3 ))
 ASSI {  875}
   (( segid "PAH2" and resid 46   and name HN  ))
   (  segid "PAH2" and resid 45   and name HG2%)
      3.900     1.900     1.900 peak   875 weight  0.10000E+01 volume  0.30658E-03 ppm1      8.382 ppm2      1.145 CV     1
 ASSI {  877}
   (( segid "PAH2" and resid 46   and name HN  ))
   (( segid "PAH2" and resid 46   and name HA  ))
      2.800     0.900     0.900 peak   877 weight  0.10000E+01 volume  0.23020E-02 ppm1      8.382 ppm2      4.130 CV     1
 ASSI {  878}
   (( segid "PAH2" and resid 47   and name HN  ))
   (( segid "PAH2" and resid 47   and name HA1 ))
      3.200     1.200     1.200 peak   878 weight  0.10000E+01 volume  0.10134E-02 ppm1      8.691 ppm2      3.781 CV     1
 ASSI {  879}
   (( segid "PAH2" and resid 47   and name HN  ))
   (( segid "PAH2" and resid 46   and name HB2 ))
      4.100     2.100     1.900 peak   879 weight  0.10000E+01 volume  0.22213E-03 ppm1      8.691 ppm2      1.782 CV     1
 OR {  879}
   (( segid "PAH2" and resid 47   and name HN  ))
   (( segid "PAH2" and resid 46   and name HB3 ))
 ASSI {  880}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 47   and name HA2 ))
      2.500     0.800     0.800 peak   880 weight  0.10000E+01 volume  0.41977E-02 ppm1      7.861 ppm2      4.059 CV     1
 ASSI {  881}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 47   and name HA1 ))
      2.600     0.900     0.900 peak   881 weight  0.10000E+01 volume  0.31210E-02 ppm1      7.861 ppm2      3.772 CV     1
 ASSI {  882}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 49   and name HD3 ))
      3.900     1.900     1.900 peak   882 weight  0.10000E+01 volume  0.26734E-03 ppm1      7.862 ppm2      3.552 CV     1
 ASSI {  883}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 48   and name HD2 ))
      3.900     1.900     1.900 peak   883 weight  0.10000E+01 volume  0.27599E-03 ppm1      7.863 ppm2      3.108 CV     1
 OR {  883}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 48   and name HD3 ))
 ASSI {  884}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 48   and name HB2 ))
      2.500     0.800     0.800 peak   884 weight  0.10000E+01 volume  0.37345E-02 ppm1      7.860 ppm2      1.791 CV     1
 ASSI {  885}
   (( segid "PAH2" and resid 48   and name HN  ))
   (( segid "PAH2" and resid 48   and name HG3 ))
      2.300     0.600     0.600 peak   885 weight  0.10000E+01 volume  0.77023E-02 ppm1      7.861 ppm2      1.633 CV     1
 ASSI {  886}
   (( segid "PAH2" and resid 50   and name HN  ))
   (( segid "PAH2" and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   886 weight  0.10000E+01 volume  0.82305E-02 ppm1      8.176 ppm2      4.382 CV     1
 ASSI {  887}
   (( segid "PAH2" and resid 50   and name HN  ))
   (( segid "PAH2" and resid 50   and name HB3 ))
      2.400     0.700     0.700 peak   887 weight  0.10000E+01 volume  0.56110E-02 ppm1      8.177 ppm2      3.001 CV     1
 OR {  887}
   (( segid "PAH2" and resid 50   and name HN  ))
   (( segid "PAH2" and resid 50   and name HB2 ))
 ASSI {  888}
   (( segid "PAH2" and resid 50   and name HN  ))
   (( segid "PAH2" and resid 49   and name HB3 ))
      3.300     1.300     1.300 peak   888 weight  0.10000E+01 volume  0.85091E-03 ppm1      8.177 ppm2      2.155 CV     1
 ASSI {  889}
   (( segid "PAH2" and resid 50   and name HN  ))
   (( segid "PAH2" and resid 49   and name HG2 ))
      4.200     2.200     1.800 peak   889 weight  0.10000E+01 volume  0.18673E-03 ppm1      8.177 ppm2      1.944 CV     1
 OR {  889}
   (( segid "PAH2" and resid 50   and name HN  ))
   (( segid "PAH2" and resid 49   and name HG3 ))
 ASSI {  890}
   (( segid "PAH2" and resid 50   and name HN  ))
   (( segid "PAH2" and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak   890 weight  0.10000E+01 volume  0.13182E-02 ppm1      8.177 ppm2      1.769 CV     1
 ASSI {  891}
   (( segid "PAH2" and resid 50   and name HN  ))
   (  segid "PAH2" and resid 50   and name HD% )
      3.500     1.600     1.600 peak   891 weight  0.10000E+01 volume  0.51165E-03 ppm1      8.177 ppm2      7.132 CV     1
 ASSI {  892}
   (( segid "PAH2" and resid 51   and name HN  ))
   (( segid "PAH2" and resid 50   and name HB3 ))
      2.800     1.000     1.000 peak   892 weight  0.10000E+01 volume  0.22289E-02 ppm1      8.332 ppm2      3.001 CV     1
 OR {  892}
   (( segid "PAH2" and resid 51   and name HN  ))
   (( segid "PAH2" and resid 50   and name HB2 ))
 ASSI {  893}
   (( segid "PAH2" and resid 51   and name HN  ))
   (( segid "PAH2" and resid 51   and name HB2 ))
      2.800     0.900     0.900 peak   893 weight  0.10000E+01 volume  0.23037E-02 ppm1      8.332 ppm2      1.745 CV     1
 ASSI {  896}
   (( segid "PAH2" and resid 51   and name HN  ))
   (  segid "PAH2" and resid 50   and name HD% )
      3.800     1.800     1.800 peak   896 weight  0.10000E+01 volume  0.33189E-03 ppm1      8.332 ppm2      7.107 CV     1
 ASSI {  897}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 51   and name HA  ))
      2.400     0.700     0.700 peak   897 weight  0.10000E+01 volume  0.57353E-02 ppm1      7.758 ppm2      4.270 CV     1
 ASSI {  899}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak   899 weight  0.10000E+01 volume  0.11301E-02 ppm1      7.758 ppm2      1.782 CV     1
 ASSI {  901}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   901 weight  0.10000E+01 volume  0.33653E-02 ppm1      7.758 ppm2      8.326 CV     1
 ASSI {  903}
   (( segid "PAH2" and resid 53   and name HN  ))
   (( segid "PAH2" and resid 52   and name HA2 ))
      2.500     0.800     0.800 peak   903 weight  0.10000E+01 volume  0.43375E-02 ppm1      8.335 ppm2      3.748 CV     1
 ASSI {  904}
   (( segid "PAH2" and resid 53   and name HN  ))
   (( segid "PAH2" and resid 53   and name HG2 ))
      3.100     1.200     1.200 peak   904 weight  0.10000E+01 volume  0.10703E-02 ppm1      8.335 ppm2      2.640 CV     1
 OR {  904}
   (( segid "PAH2" and resid 53   and name HN  ))
   (( segid "PAH2" and resid 53   and name HG3 ))
 ASSI {  905}
   (( segid "PAH2" and resid 53   and name HN  ))
   (( segid "PAH2" and resid 53   and name HB3 ))
      2.400     0.700     0.700 peak   905 weight  0.10000E+01 volume  0.50452E-02 ppm1      8.335 ppm2      2.018 CV     1
 ASSI {  906}
   (( segid "PAH2" and resid 53   and name HN  ))
   (( segid "PAH2" and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   906 weight  0.10000E+01 volume  0.37531E-02 ppm1      8.335 ppm2      1.894 CV     1
 ASSI {  907}
   (( segid "PAH2" and resid 53   and name HN  ))
   (  segid "PAH2" and resid 38   and name HD% )
      5.000     3.100     1.000 peak   907 weight  0.10000E+01 volume  0.63905E-04 ppm1      8.335 ppm2      6.936 CV     1
 ASSI {  908}
   (( segid "PAH2" and resid 53   and name HN  ))
   (  segid "PAH2" and resid 38   and name HE% )
      4.700     2.800     1.300 peak   908 weight  0.10000E+01 volume  0.94031E-04 ppm1      8.335 ppm2      6.775 CV     1
 ASSI {  909}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   909 weight  0.10000E+01 volume  0.27373E-03 ppm1      8.954 ppm2      7.890 CV     1
 ASSI {  911}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 54   and name HB3 ))
      2.700     0.900     0.900 peak   911 weight  0.10000E+01 volume  0.28667E-02 ppm1      8.952 ppm2      4.058 CV     1
 ASSI {  912}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 53   and name HG3 ))
      2.900     1.000     1.000 peak   912 weight  0.10000E+01 volume  0.18260E-02 ppm1      8.950 ppm2      2.650 CV     1
 OR {  912}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 53   and name HG2 ))
 ASSI {  913}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 56   and name HG2 ))
      2.500     0.800     0.800 peak   913 weight  0.10000E+01 volume  0.38541E-02 ppm1      8.950 ppm2      2.352 CV     1
 OR {  913}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 56   and name HG3 ))
 ASSI {  914}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 53   and name HB3 ))
      2.700     0.900     0.900 peak   914 weight  0.10000E+01 volume  0.27112E-02 ppm1      8.950 ppm2      2.055 CV     1
 OR {  914}
   (( segid "PAH2" and resid 54   and name HN  ))
   (  segid "PAH2" and resid 53   and name HE% )
 ASSI {  915}
   (( segid "PAH2" and resid 54   and name HN  ))
   (( segid "PAH2" and resid 53   and name HB2 ))
      3.300     1.400     1.400 peak   915 weight  0.10000E+01 volume  0.74528E-03 ppm1      8.950 ppm2      1.894 CV     1
 ASSI {  916}
   (( segid "PAH2" and resid 55   and name HN  ))
   (( segid "PAH2" and resid 54   and name HA  ))
      2.700     0.900     0.900 peak   916 weight  0.10000E+01 volume  0.24952E-02 ppm1      9.140 ppm2      4.793 CV     1
 ASSI {  917}
   (( segid "PAH2" and resid 55   and name HN  ))
   (( segid "PAH2" and resid 54   and name HB2 ))
      2.600     0.900     0.900 peak   917 weight  0.10000E+01 volume  0.30844E-02 ppm1      9.140 ppm2      4.483 CV     1
 ASSI {  918}
   (( segid "PAH2" and resid 55   and name HN  ))
   (( segid "PAH2" and resid 54   and name HB3 ))
      2.600     0.900     0.900 peak   918 weight  0.10000E+01 volume  0.29057E-02 ppm1      9.140 ppm2      4.062 CV     1
 ASSI {  919}
   (( segid "PAH2" and resid 55   and name HN  ))
   (( segid "PAH2" and resid 55   and name HA  ))
      2.900     1.000     1.000 peak   919 weight  0.10000E+01 volume  0.17088E-02 ppm1      9.140 ppm2      3.799 CV     1
 ASSI {  920}
   (( segid "PAH2" and resid 55   and name HN  ))
   (( segid "PAH2" and resid 55   and name HG3 ))
      2.500     0.800     0.800 peak   920 weight  0.10000E+01 volume  0.42708E-02 ppm1      9.140 ppm2      2.359 CV     1
 OR {  920}
   (( segid "PAH2" and resid 55   and name HN  ))
   (( segid "PAH2" and resid 55   and name HG2 ))
 ASSI {  921}
   (( segid "PAH2" and resid 55   and name HN  ))
   (( segid "PAH2" and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak   921 weight  0.10000E+01 volume  0.48507E-02 ppm1      9.140 ppm2      2.104 CV     1
 ASSI {  924}
   (( segid "PAH2" and resid 56   and name HN  ))
   (( segid "PAH2" and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   924 weight  0.10000E+01 volume  0.26782E-02 ppm1      8.833 ppm2      4.010 CV     1
 ASSI {  925}
   (( segid "PAH2" and resid 56   and name HN  ))
   (( segid "PAH2" and resid 56   and name HG2 ))
      2.700     0.900     0.900 peak   925 weight  0.10000E+01 volume  0.23415E-02 ppm1      8.833 ppm2      2.338 CV     1
 ASSI {  927}
   (( segid "PAH2" and resid 56   and name HN  ))
   (( segid "PAH2" and resid 54   and name HB2 ))
      3.200     1.300     1.300 peak   927 weight  0.10000E+01 volume  0.92928E-03 ppm1      8.833 ppm2      4.468 CV     1
 ASSI {  928}
   (( segid "PAH2" and resid 57   and name HN  ))
   (( segid "PAH2" and resid 56   and name HG3 ))
      2.100     0.600     0.600 peak   928 weight  0.10000E+01 volume  0.10616E-01 ppm1      7.913 ppm2      2.352 CV     1
 ASSI {  929}
   (( segid "PAH2" and resid 73   and name HN  ))
   (( segid "PAH2" and resid 73   and name HB2 ))
      2.200     0.600     0.600 peak   929 weight  0.10000E+01 volume  0.97977E-02 ppm1      7.912 ppm2      2.065 CV     1
 ASSI {  931}
   (( segid "PAH2" and resid 58   and name HN  ))
   (( segid "PAH2" and resid 57   and name HA  ))
      3.100     1.200     1.200 peak   931 weight  0.10000E+01 volume  0.12270E-02 ppm1      8.051 ppm2      4.062 CV     1
 ASSI {  934}
   (( segid "PAH2" and resid 58   and name HN  ))
   (  segid "PAH2" and resid 58   and name HG2%)
      2.300     0.700     0.700 peak   934 weight  0.10000E+01 volume  0.70001E-02 ppm1      8.052 ppm2      0.789 CV     1
 ASSI {  935}
   (( segid "PAH2" and resid 59   and name HN  ))
   (  segid "PAH2" and resid 76   and name HE% )
      3.600     1.600     1.600 peak   935 weight  0.10000E+01 volume  0.46876E-03 ppm1      8.361 ppm2      7.122 CV     1
 ASSI {  936}
   (( segid "PAH2" and resid 59   and name HN  ))
   (( segid "PAH2" and resid 59   and name HB3 ))
      2.700     0.900     0.900 peak   936 weight  0.10000E+01 volume  0.26374E-02 ppm1      8.360 ppm2      3.273 CV     1
 ASSI {  937}
   (( segid "PAH2" and resid 59   and name HN  ))
   (( segid "PAH2" and resid 58   and name HB  ))
      2.700     0.900     0.900 peak   937 weight  0.10000E+01 volume  0.25342E-02 ppm1      8.360 ppm2      2.113 CV     1
 ASSI {  938}
   (( segid "PAH2" and resid 59   and name HN  ))
   (  segid "PAH2" and resid 58   and name HG1%)
      2.700     0.900     0.900 peak   938 weight  0.10000E+01 volume  0.25174E-02 ppm1      8.361 ppm2      0.779 CV     1
 OR {  938}
   (( segid "PAH2" and resid 59   and name HN  ))
   (  segid "PAH2" and resid 58   and name HG2%)
 ASSI {  939}
   (( segid "PAH2" and resid 59   and name HN  ))
   (  segid "PAH2" and resid 80   and name HD1%)
      3.400     1.400     1.400 peak   939 weight  0.10000E+01 volume  0.65473E-03 ppm1      8.361 ppm2      0.630 CV     1
 OR {  939}
   (( segid "PAH2" and resid 59   and name HN  ))
   (  segid "PAH2" and resid 80   and name HD2%)
 ASSI {  940}
   (( segid "PAH2" and resid 59   and name HN  ))
   (( segid "PAH2" and resid 59   and name HB2 ))
      2.200     0.600     0.600 peak   940 weight  0.10000E+01 volume  0.78010E-02 ppm1      8.361 ppm2      3.041 CV     1
 ASSI {  946}
   (( segid "PAH2" and resid 61   and name HN  ))
   (( segid "PAH2" and resid 60   and name HB  ))
      2.700     0.900     0.900 peak   946 weight  0.10000E+01 volume  0.27280E-02 ppm1      7.969 ppm2      4.310 CV     1
 ASSI {  950}
   (( segid "PAH2" and resid 61   and name HN  ))
   (( segid "PAH2" and resid 61   and name HB2 ))
      2.300     0.700     0.700 peak   950 weight  0.10000E+01 volume  0.64080E-02 ppm1      7.969 ppm2      2.005 CV     1
 ASSI {  952}
   (( segid "PAH2" and resid 61   and name HN  ))
   (  segid "PAH2" and resid 34   and name HG2%)
      3.400     1.500     1.500 peak   952 weight  0.10000E+01 volume  0.60539E-03 ppm1      7.969 ppm2      0.729 CV     1
 OR {  952}
   (( segid "PAH2" and resid 61   and name HN  ))
   (  segid "PAH2" and resid 34   and name HD1%)
 ASSI {  953}
   (( segid "PAH2" and resid 61   and name HN  ))
   (  segid "PAH2" and resid 62   and name HG2%)
      4.900     3.100     1.100 peak   953 weight  0.10000E+01 volume  0.68549E-04 ppm1      7.969 ppm2      0.519 CV     1
 ASSI {  954}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 58   and name HA  ))
      5.100     3.300     0.900 peak   954 weight  0.10000E+01 volume  0.56029E-04 ppm1      8.339 ppm2      3.542 CV     1
 ASSI {  955}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 60   and name HA  ))
      4.700     2.800     1.300 peak   955 weight  0.10000E+01 volume  0.93623E-04 ppm1      8.339 ppm2      3.740 CV     1
 ASSI {  957}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 61   and name HB2 ))
      2.500     0.800     0.800 peak   957 weight  0.10000E+01 volume  0.42522E-02 ppm1      8.339 ppm2      2.005 CV     1
 OR {  957}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 61   and name HB3 ))
 ASSI {  958}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 62   and name HB  ))
      2.400     0.700     0.700 peak   958 weight  0.10000E+01 volume  0.52198E-02 ppm1      8.339 ppm2      1.510 CV     1
 ASSI {  959}
   (( segid "PAH2" and resid 62   and name HN  ))
   (  segid "PAH2" and resid 34   and name HG2%)
      2.900     1.000     1.000 peak   959 weight  0.10000E+01 volume  0.17785E-02 ppm1      8.339 ppm2      0.754 CV     1
 OR {  959}
   (( segid "PAH2" and resid 62   and name HN  ))
   (  segid "PAH2" and resid 34   and name HD1%)
 ASSI {  960}
   (( segid "PAH2" and resid 62   and name HN  ))
   (  segid "PAH2" and resid 62   and name HG2%)
      2.400     0.700     0.700 peak   960 weight  0.10000E+01 volume  0.47729E-02 ppm1      8.339 ppm2      0.519 CV     1
 ASSI {  964}
   (( segid "PAH2" and resid 63   and name HN  ))
   (( segid "PAH2" and resid 63   and name HA  ))
      2.500     0.800     0.800 peak   964 weight  0.10000E+01 volume  0.44084E-02 ppm1      8.717 ppm2      3.731 CV     1
 ASSI {  966}
   (( segid "PAH2" and resid 63   and name HN  ))
   (( segid "PAH2" and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak   966 weight  0.10000E+01 volume  0.15294E-03 ppm1      8.717 ppm2      2.775 CV     1
 OR {  966}
   (( segid "PAH2" and resid 63   and name HN  ))
   (( segid "PAH2" and resid 64   and name HB3 ))
 ASSI {  967}
   (( segid "PAH2" and resid 63   and name HN  ))
   (( segid "PAH2" and resid 62   and name HB  ))
      2.700     0.900     0.900 peak   967 weight  0.10000E+01 volume  0.25568E-02 ppm1      8.717 ppm2      1.499 CV     1
 ASSI {  968}
   (( segid "PAH2" and resid 63   and name HN  ))
   (  segid "PAH2" and resid 63   and name HB% )
      2.200     0.600     0.600 peak   968 weight  0.10000E+01 volume  0.92463E-02 ppm1      8.717 ppm2      1.137 CV     1
 ASSI {  969}
   (( segid "PAH2" and resid 63   and name HN  ))
   (  segid "PAH2" and resid 73   and name HD1%)
      2.900     1.100     1.100 peak   969 weight  0.10000E+01 volume  0.16118E-02 ppm1      8.717 ppm2      0.784 CV     1
 OR {  969}
   (( segid "PAH2" and resid 63   and name HN  ))
   (  segid "PAH2" and resid 73   and name HD2%)
 ASSI {  970}
   (( segid "PAH2" and resid 63   and name HN  ))
   (  segid "PAH2" and resid 62   and name HG2%)
      3.600     1.600     1.600 peak   970 weight  0.10000E+01 volume  0.46661E-03 ppm1      8.714 ppm2      0.509 CV     1
 ASSI {  971}
   (( segid "PAH2" and resid 63   and name HN  ))
   (  segid "PAH2" and resid 62   and name HG1%)
      3.200     1.300     1.300 peak   971 weight  0.10000E+01 volume  0.90490E-03 ppm1      8.714 ppm2     -0.269 CV     1
 ASSI {  972}
   (( segid "PAH2" and resid 64   and name HN  ))
   (( segid "PAH2" and resid 61   and name HA  ))
      2.900     1.000     1.000 peak   972 weight  0.10000E+01 volume  0.17732E-02 ppm1      7.521 ppm2      4.038 CV     1
 ASSI {  974}
   (( segid "PAH2" and resid 64   and name HN  ))
   (( segid "PAH2" and resid 64   and name HB2 ))
      2.100     0.600     0.600 peak   974 weight  0.10000E+01 volume  0.10947E-01 ppm1      7.522 ppm2      2.770 CV     1
 ASSI {  975}
   (( segid "PAH2" and resid 64   and name HN  ))
   (  segid "PAH2" and resid 63   and name HB% )
      2.400     0.700     0.700 peak   975 weight  0.10000E+01 volume  0.49354E-02 ppm1      7.522 ppm2      1.150 CV     1
 ASSI {  977}
   (( segid "PAH2" and resid 64   and name HN  ))
   (( segid "PAH2" and resid 67   and name HN  ))
      4.400     2.400     1.600 peak   977 weight  0.10000E+01 volume  0.13721E-03 ppm1      7.522 ppm2      6.923 CV     1
 ASSI {  978}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 64   and name HA  ))
      3.500     1.500     1.500 peak   978 weight  0.10000E+01 volume  0.57828E-03 ppm1      7.522 ppm2      4.399 CV     1
 ASSI {  979}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 63   and name HA  ))
      4.300     2.300     1.700 peak   979 weight  0.10000E+01 volume  0.16909E-03 ppm1      7.522 ppm2      3.708 CV     1
 ASSI {  980}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   980 weight  0.10000E+01 volume  0.13513E-02 ppm1      7.522 ppm2      2.930 CV     1
 ASSI {  981}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 64   and name HB2 ))
      2.500     0.800     0.800 peak   981 weight  0.10000E+01 volume  0.38685E-02 ppm1      7.522 ppm2      2.770 CV     1
 OR {  981}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 64   and name HB3 ))
 ASSI {  982}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 65   and name HG  ))
      2.600     0.900     0.900 peak   982 weight  0.10000E+01 volume  0.31250E-02 ppm1      7.522 ppm2      1.536 CV     1
 ASSI {  983}
   (( segid "PAH2" and resid 65   and name HN  ))
   (( segid "PAH2" and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak   983 weight  0.10000E+01 volume  0.83292E-02 ppm1      7.522 ppm2      1.400 CV     1
 ASSI {  984}
   (( segid "PAH2" and resid 65   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD1%)
      2.700     0.900     0.900 peak   984 weight  0.10000E+01 volume  0.23658E-02 ppm1      7.522 ppm2      0.763 CV     1
 OR {  984}
   (( segid "PAH2" and resid 65   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD2%)
 ASSI {  985}
   (( segid "PAH2" and resid 66   and name HN  ))
   (  segid "PAH2" and resid 66   and name HD% )
      3.000     1.100     1.100 peak   985 weight  0.10000E+01 volume  0.13089E-02 ppm1      8.213 ppm2      6.568 CV     1
 ASSI {  986}
   (( segid "PAH2" and resid 66   and name HN  ))
   (( segid "PAH2" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   986 weight  0.10000E+01 volume  0.10575E-02 ppm1      8.217 ppm2      4.028 CV     1
 ASSI {  988}
   (( segid "PAH2" and resid 66   and name HN  ))
   (( segid "PAH2" and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   988 weight  0.10000E+01 volume  0.48060E-02 ppm1      8.217 ppm2      2.881 CV     1
 ASSI {  989}
   (( segid "PAH2" and resid 66   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD1%)
      3.200     1.300     1.300 peak   989 weight  0.10000E+01 volume  0.99776E-03 ppm1      8.217 ppm2      0.784 CV     1
 OR {  989}
   (( segid "PAH2" and resid 66   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD2%)
 ASSI {  990}
   (( segid "PAH2" and resid 66   and name HN  ))
   (  segid "PAH2" and resid 62   and name HG1%)
      5.400     3.700     0.600 peak   990 weight  0.10000E+01 volume  0.38587E-04 ppm1      8.217 ppm2     -0.241 CV     1
 ASSI {  991}
   (( segid "PAH2" and resid 66   and name HN  ))
   (( segid "PAH2" and resid 65   and name HB3 ))
      2.500     0.800     0.800 peak   991 weight  0.10000E+01 volume  0.37943E-02 ppm1      8.217 ppm2      1.376 CV     1
 OR {  991}
   (( segid "PAH2" and resid 66   and name HN  ))
   (( segid "PAH2" and resid 65   and name HB2 ))
 ASSI {  992}
   (( segid "PAH2" and resid 66   and name HN  ))
   (( segid "PAH2" and resid 65   and name HG  ))
      3.900     1.900     1.900 peak   992 weight  0.10000E+01 volume  0.30206E-03 ppm1      8.217 ppm2      1.546 CV     1
 ASSI {  993}
   (( segid "PAH2" and resid 67   and name HN  ))
   (  segid "PAH2" and resid 66   and name HD% )
      4.300     2.300     1.700 peak   993 weight  0.10000E+01 volume  0.16240E-03 ppm1      6.967 ppm2      6.562 CV     1
 ASSI {  994}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 64   and name HA  ))
      3.400     1.400     1.400 peak   994 weight  0.10000E+01 volume  0.70116E-03 ppm1      6.967 ppm2      4.399 CV     1
 ASSI {  995}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 66   and name HA  ))
      2.900     1.100     1.100 peak   995 weight  0.10000E+01 volume  0.16223E-02 ppm1      6.967 ppm2      4.843 CV     1
 ASSI {  996}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 66   and name HB3 ))
      3.700     1.700     1.700 peak   996 weight  0.10000E+01 volume  0.38669E-03 ppm1      6.967 ppm2      3.695 CV     1
 ASSI {  997}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 67   and name HD3 ))
      3.700     1.700     1.700 peak   997 weight  0.10000E+01 volume  0.41455E-03 ppm1      6.967 ppm2      3.251 CV     1
 OR {  997}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 67   and name HD2 ))
 ASSI {  998}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak   998 weight  0.10000E+01 volume  0.35993E-03 ppm1      6.967 ppm2      2.869 CV     1
 ASSI {  999}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 67   and name HB2 ))
      2.300     0.700     0.700 peak   999 weight  0.10000E+01 volume  0.70407E-02 ppm1      6.967 ppm2      1.968 CV     1
 ASSI { 1000}
   (( segid "PAH2" and resid 67   and name HN  ))
   (( segid "PAH2" and resid 67   and name HB3 ))
      2.200     0.600     0.600 peak  1000 weight  0.10000E+01 volume  0.81551E-02 ppm1      6.967 ppm2      1.833 CV     1
 ASSI { 1002}
   (( segid "PAH2" and resid 68   and name HN  ))
   (( segid "PAH2" and resid 67   and name HA  ))
      2.200     0.600     0.600 peak  1002 weight  0.10000E+01 volume  0.93740E-02 ppm1      9.407 ppm2      4.094 CV     1
 ASSI { 1003}
   (( segid "PAH2" and resid 68   and name HN  ))
   (( segid "PAH2" and resid 67   and name HB2 ))
      3.400     1.500     1.500 peak  1003 weight  0.10000E+01 volume  0.61816E-03 ppm1      9.406 ppm2      1.956 CV     1
 ASSI { 1004}
   (( segid "PAH2" and resid 68   and name HN  ))
   (( segid "PAH2" and resid 67   and name HG2 ))
      2.700     0.900     0.900 peak  1004 weight  0.10000E+01 volume  0.25057E-02 ppm1      9.406 ppm2      1.800 CV     1
 ASSI { 1005}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 68   and name HA2 ))
      2.900     1.000     1.000 peak  1005 weight  0.10000E+01 volume  0.18505E-02 ppm1      8.491 ppm2      4.300 CV     1
 ASSI { 1006}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak  1006 weight  0.10000E+01 volume  0.19177E-02 ppm1      8.491 ppm2      4.090 CV     1
 ASSI { 1007}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 68   and name HA1 ))
      2.800     1.000     1.000 peak  1007 weight  0.10000E+01 volume  0.22608E-02 ppm1      8.491 ppm2      3.880 CV     1
 ASSI { 1008}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 66   and name HB3 ))
      4.000     2.000     2.000 peak  1008 weight  0.10000E+01 volume  0.23182E-03 ppm1      8.491 ppm2      3.683 CV     1
 ASSI { 1009}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 69   and name HG3 ))
      2.500     0.800     0.800 peak  1009 weight  0.10000E+01 volume  0.44269E-02 ppm1      8.489 ppm2      2.230 CV     1
 OR { 1009}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 69   and name HG2 ))
 ASSI { 1010}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak  1010 weight  0.10000E+01 volume  0.56516E-02 ppm1      8.491 ppm2      1.845 CV     1
 OR { 1010}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 69   and name HB3 ))
 ASSI { 1011}
   (( segid "PAH2" and resid 69   and name HN  ))
   (  segid "PAH2" and resid 73   and name HD2%)
      5.500     3.800     0.500 peak  1011 weight  0.10000E+01 volume  0.34733E-04 ppm1      8.491 ppm2      0.808 CV     1
 ASSI { 1012}
   (( segid "PAH2" and resid 69   and name HN  ))
   (  segid "PAH2" and resid 72   and name HD1%)
      4.800     2.800     1.200 peak  1012 weight  0.10000E+01 volume  0.85672E-04 ppm1      8.491 ppm2      0.142 CV     1
 ASSI { 1013}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 69   and name HE22))
      3.700     1.700     1.700 peak  1013 weight  0.10000E+01 volume  0.37589E-03 ppm1      8.488 ppm2      6.755 CV     1
 ASSI { 1014}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 69   and name HE21))
      4.000     2.000     2.000 peak  1014 weight  0.10000E+01 volume  0.23188E-03 ppm1      8.489 ppm2      7.516 CV     1
 ASSI { 1015}
   (( segid "PAH2" and resid 70   and name HN  ))
   (( segid "PAH2" and resid 72   and name HN  ))
      3.700     1.700     1.700 peak  1015 weight  0.10000E+01 volume  0.36951E-03 ppm1      8.590 ppm2      7.786 CV     1
 ASSI { 1021}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 70   and name HA  ))
      3.000     1.100     1.100 peak  1021 weight  0.10000E+01 volume  0.13641E-02 ppm1      8.986 ppm2      3.905 CV     1
 ASSI { 1022}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak  1022 weight  0.10000E+01 volume  0.45175E-02 ppm1      8.986 ppm2      2.819 CV     1
 ASSI { 1023}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 71   and name HB3 ))
      2.700     0.900     0.900 peak  1023 weight  0.10000E+01 volume  0.27977E-02 ppm1      8.986 ppm2      2.647 CV     1
 ASSI { 1024}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak  1024 weight  0.10000E+01 volume  0.28738E-02 ppm1      8.986 ppm2      2.091 CV     1
 OR { 1024}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 70   and name HB3 ))
 ASSI { 1026}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 72   and name HG  ))
      3.200     1.300     1.300 peak  1026 weight  0.10000E+01 volume  0.91593E-03 ppm1      8.986 ppm2      1.548 CV     1
 ASSI { 1027}
   (( segid "PAH2" and resid 71   and name HN  ))
   (  segid "PAH2" and resid 72   and name HD2%)
      6.000     4.600     0.000 peak  1027 weight  0.10000E+01 volume  0.20530E-04 ppm1      8.986 ppm2      0.450 CV     1
 ASSI { 1028}
   (( segid "PAH2" and resid 71   and name HN  ))
   (  segid "PAH2" and resid 72   and name HD1%)
      5.700     4.000     0.300 peak  1028 weight  0.10000E+01 volume  0.30484E-04 ppm1      8.986 ppm2      0.154 CV     1
 ASSI { 1029}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 71   and name HB2 ))
      4.000     2.000     2.000 peak  1029 weight  0.10000E+01 volume  0.23780E-03 ppm1      7.775 ppm2      2.828 CV     1
 ASSI { 1031}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 72   and name HG  ))
      2.200     0.600     0.600 peak  1031 weight  0.10000E+01 volume  0.80448E-02 ppm1      7.776 ppm2      1.561 CV     1
 ASSI { 1032}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 72   and name HB2 ))
      2.900     1.100     1.100 peak  1032 weight  0.10000E+01 volume  0.15590E-02 ppm1      7.775 ppm2      0.985 CV     1
 ASSI { 1035}
   (( segid "PAH2" and resid 73   and name HN  ))
   (  segid "PAH2" and resid 73   and name HD2%)
      2.800     1.000     1.000 peak  1035 weight  0.10000E+01 volume  0.20843E-02 ppm1      7.887 ppm2      0.810 CV     1
 ASSI { 1036}
   (( segid "PAH2" and resid 73   and name HN  ))
   (( segid "PAH2" and resid 72   and name HB2 ))
      3.600     1.600     1.600 peak  1036 weight  0.10000E+01 volume  0.49290E-03 ppm1      7.886 ppm2      0.961 CV     1
 ASSI { 1038}
   (( segid "PAH2" and resid 73   and name HN  ))
   (( segid "PAH2" and resid 73   and name HB3 ))
      2.200     0.600     0.600 peak  1038 weight  0.10000E+01 volume  0.96003E-02 ppm1      7.886 ppm2      1.821 CV     1
 ASSI { 1045}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 75   and name HG2 ))
      2.800     1.000     1.000 peak  1045 weight  0.10000E+01 volume  0.22684E-02 ppm1      7.911 ppm2      2.311 CV     1
 ASSI { 1046}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 75   and name HG3 ))
      2.300     0.700     0.700 peak  1046 weight  0.10000E+01 volume  0.66575E-02 ppm1      7.910 ppm2      2.046 CV     1
 OR { 1046}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 75   and name HB3 ))
 ASSI { 1047}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak  1047 weight  0.10000E+01 volume  0.42918E-02 ppm1      7.910 ppm2      1.861 CV     1
 ASSI { 1050}
   (( segid "PAH2" and resid 75   and name HN  ))
   (  segid "PAH2" and resid 13   and name HE% )
      3.600     1.600     1.600 peak  1050 weight  0.10000E+01 volume  0.48344E-03 ppm1      7.909 ppm2      6.783 CV     1
 ASSI { 1051}
   (( segid "PAH2" and resid 76   and name HN  ))
   (( segid "PAH2" and resid 76   and name HB3 ))
      2.300     0.700     0.700 peak  1051 weight  0.10000E+01 volume  0.59784E-02 ppm1      7.641 ppm2      4.041 CV     1
 ASSI { 1052}
   (( segid "PAH2" and resid 76   and name HN  ))
   (( segid "PAH2" and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak  1052 weight  0.10000E+01 volume  0.42464E-02 ppm1      7.641 ppm2      3.249 CV     1
 ASSI { 1053}
   (( segid "PAH2" and resid 76   and name HN  ))
   (( segid "PAH2" and resid 75   and name HB3 ))
      3.200     1.300     1.300 peak  1053 weight  0.10000E+01 volume  0.95655E-03 ppm1      7.641 ppm2      2.030 CV     1
 ASSI { 1054}
   (( segid "PAH2" and resid 76   and name HN  ))
   (( segid "PAH2" and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak  1054 weight  0.10000E+01 volume  0.98732E-03 ppm1      7.641 ppm2      1.860 CV     1
 ASSI { 1055}
   (( segid "PAH2" and resid 76   and name HN  ))
   (  segid "PAH2" and resid 13   and name HE% )
      3.400     1.400     1.400 peak  1055 weight  0.10000E+01 volume  0.70929E-03 ppm1      7.640 ppm2      6.794 CV     1
 ASSI { 1057}
   (( segid "PAH2" and resid 76   and name HN  ))
   (  segid "PAH2" and resid 76   and name HD% )
      3.200     1.300     1.300 peak  1057 weight  0.10000E+01 volume  0.87007E-03 ppm1      7.641 ppm2      7.318 CV     1
 ASSI { 1058}
   (( segid "PAH2" and resid 77   and name HN  ))
   (( segid "PAH2" and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak  1058 weight  0.10000E+01 volume  0.19468E-02 ppm1      7.753 ppm2      3.249 CV     1
 ASSI { 1059}
   (( segid "PAH2" and resid 77   and name HN  ))
   (( segid "PAH2" and resid 76   and name HB3 ))
      2.800     1.000     1.000 peak  1059 weight  0.10000E+01 volume  0.20808E-02 ppm1      7.753 ppm2      4.053 CV     1
 ASSI { 1060}
   (( segid "PAH2" and resid 77   and name HN  ))
   (( segid "PAH2" and resid 76   and name HA  ))
      2.800     1.000     1.000 peak  1060 weight  0.10000E+01 volume  0.19038E-02 ppm1      7.753 ppm2      4.296 CV     1
 ASSI { 1062}
   (( segid "PAH2" and resid 77   and name HN  ))
   (( segid "PAH2" and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  1062 weight  0.10000E+01 volume  0.40816E-02 ppm1      7.753 ppm2      7.281 CV     1
 ASSI { 1065}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 80   and name HN  ))
      3.500     1.500     1.500 peak  1065 weight  0.10000E+01 volume  0.55936E-03 ppm1      7.271 ppm2      6.843 CV     1
 ASSI { 1067}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 75   and name HA  ))
      3.400     1.400     1.400 peak  1067 weight  0.10000E+01 volume  0.69826E-03 ppm1      7.271 ppm2      4.041 CV     1
 ASSI { 1068}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 77   and name HA1 ))
      3.200     1.300     1.300 peak  1068 weight  0.10000E+01 volume  0.94959E-03 ppm1      7.271 ppm2      3.431 CV     1
 ASSI { 1069}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 78   and name HG3 ))
      2.800     1.000     1.000 peak  1069 weight  0.10000E+01 volume  0.22115E-02 ppm1      7.271 ppm2      1.933 CV     1
 ASSI { 1070}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 78   and name HG2 ))
      2.200     0.600     0.600 peak  1070 weight  0.10000E+01 volume  0.94901E-02 ppm1      7.271 ppm2      1.555 CV     1
 OR { 1070}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 78   and name HB3 ))
 ASSI { 1071}
   (( segid "PAH2" and resid 79   and name HN  ))
   (( segid "PAH2" and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  1071 weight  0.10000E+01 volume  0.12131E-02 ppm1      7.623 ppm2      3.822 CV     1
 ASSI { 1072}
   (( segid "PAH2" and resid 79   and name HN  ))
   (( segid "PAH2" and resid 77   and name HA1 ))
      5.400     3.700     0.600 peak  1072 weight  0.10000E+01 volume  0.38895E-04 ppm1      7.623 ppm2      3.446 CV     1
 ASSI { 1073}
   (( segid "PAH2" and resid 79   and name HN  ))
   (( segid "PAH2" and resid 79   and name HB3 ))
      2.900     1.100     1.100 peak  1073 weight  0.10000E+01 volume  0.15654E-02 ppm1      7.624 ppm2      2.941 CV     1
 ASSI { 1074}
   (( segid "PAH2" and resid 79   and name HN  ))
   (( segid "PAH2" and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  1074 weight  0.10000E+01 volume  0.26271E-02 ppm1      7.625 ppm2      2.422 CV     1
 ASSI { 1075}
   (( segid "PAH2" and resid 79   and name HN  ))
   (( segid "PAH2" and resid 78   and name HB3 ))
      2.900     1.000     1.000 peak  1075 weight  0.10000E+01 volume  0.18145E-02 ppm1      7.624 ppm2      1.555 CV     1
 ASSI { 1076}
   (( segid "PAH2" and resid 79   and name HN  ))
   (( segid "PAH2" and resid 80   and name HG  ))
      4.300     2.300     1.700 peak  1076 weight  0.10000E+01 volume  0.15916E-03 ppm1      7.624 ppm2      1.263 CV     1
 ASSI { 1077}
   (( segid "PAH2" and resid 79   and name HN  ))
   (  segid "MAD1" and resid 202  and name HD1%)
      4.400     2.500     1.600 peak  1077 weight  0.10000E+01 volume  0.13141E-03 ppm1      7.624 ppm2      0.617 CV     1
 ASSI { 1080}
   (( segid "PAH2" and resid 80   and name HN  ))
   (( segid "PAH2" and resid 81   and name HD2 ))
      3.600     1.600     1.600 peak  1080 weight  0.10000E+01 volume  0.49046E-03 ppm1      6.852 ppm2      3.687 CV     1
 OR { 1080}
   (( segid "PAH2" and resid 80   and name HN  ))
   (( segid "PAH2" and resid 81   and name HD3 ))
 ASSI { 1081}
   (( segid "PAH2" and resid 80   and name HN  ))
   (( segid "PAH2" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak  1081 weight  0.10000E+01 volume  0.50173E-02 ppm1      6.852 ppm2      1.385 CV     1
 ASSI { 1082}
   (( segid "PAH2" and resid 80   and name HN  ))
   (( segid "PAH2" and resid 80   and name HG  ))
      2.700     0.900     0.900 peak  1082 weight  0.10000E+01 volume  0.28801E-02 ppm1      6.852 ppm2      1.275 CV     1
 ASSI { 1083}
   (( segid "PAH2" and resid 80   and name HN  ))
   (  segid "PAH2" and resid 80   and name HD2%)
      3.100     1.200     1.200 peak  1083 weight  0.10000E+01 volume  0.12125E-02 ppm1      6.852 ppm2      0.641 CV     1
 OR { 1083}
   (( segid "PAH2" and resid 80   and name HN  ))
   (  segid "PAH2" and resid 80   and name HD1%)
 ASSI { 1084}
   (( segid "PAH2" and resid 80   and name HN  ))
   (( segid "PAH2" and resid 79   and name HB2 ))
      3.800     1.800     1.800 peak  1084 weight  0.10000E+01 volume  0.31309E-03 ppm1      6.852 ppm2      2.420 CV     1
 ASSI { 1087}
   (( segid "PAH2" and resid 82   and name HN  ))
   (( segid "PAH2" and resid 81   and name HD3 ))
      3.900     1.900     1.900 peak  1087 weight  0.10000E+01 volume  0.27623E-03 ppm1      9.150 ppm2      3.693 CV     1
 OR { 1087}
   (( segid "PAH2" and resid 82   and name HN  ))
   (( segid "PAH2" and resid 81   and name HD2 ))
 ASSI { 1175}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 8    and name HB3 ))
      2.300     0.700     0.700 peak  1175 weight  0.10000E+01 volume  0.71219E-02 ppm1      8.382 ppm2      2.922 CV     1
 ASSI { 1176}
   (( segid "PAH2" and resid 6    and name HN  ))
   (  segid "PAH2" and resid 5    and name HG1%)
      2.700     0.900     0.900 peak  1176 weight  0.10000E+01 volume  0.28459E-02 ppm1      8.591 ppm2      0.922 CV     1
 OR { 1176}
   (( segid "PAH2" and resid 6    and name HN  ))
   (  segid "PAH2" and resid 5    and name HG2%)
 ASSI { 1178}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 7    and name HB3 ))
      2.500     0.800     0.800 peak  1178 weight  0.10000E+01 volume  0.39963E-02 ppm1      8.382 ppm2      2.993 CV     1
 ASSI { 1180}
   (( segid "PAH2" and resid 9    and name HN  ))
   (  segid "PAH2" and resid 5    and name HG1%)
      3.600     1.700     1.700 peak  1180 weight  0.10000E+01 volume  0.42546E-03 ppm1      8.376 ppm2      0.890 CV     1
 ASSI { 1182}
   (( segid "PAH2" and resid 9    and name HN  ))
   (( segid "PAH2" and resid 8    and name HB2 ))
      3.000     1.100     1.100 peak  1182 weight  0.10000E+01 volume  0.13774E-02 ppm1      8.375 ppm2      2.753 CV     1
 ASSI { 1183}
   (( segid "PAH2" and resid 9    and name HN  ))
   (( segid "PAH2" and resid 9    and name HB3 ))
      2.200     0.600     0.600 peak  1183 weight  0.10000E+01 volume  0.80855E-02 ppm1      8.374 ppm2      2.964 CV     1
 ASSI { 1184}
   (( segid "PAH2" and resid 9    and name HN  ))
   (( segid "PAH2" and resid 9    and name HB2 ))
      2.300     0.700     0.700 peak  1184 weight  0.10000E+01 volume  0.65183E-02 ppm1      8.374 ppm2      3.093 CV     1
 ASSI { 1185}
   (( segid "PAH2" and resid 9    and name HN  ))
   (( segid "PAH2" and resid 8    and name HA  ))
      3.200     1.200     1.200 peak  1185 weight  0.10000E+01 volume  0.10169E-02 ppm1      8.376 ppm2      4.297 CV     1
 ASSI { 1186}
   (( segid "PAH2" and resid 16   and name HN  ))
   (( segid "PAH2" and resid 12   and name HA  ))
      4.400     2.400     1.600 peak  1186 weight  0.10000E+01 volume  0.13768E-03 ppm1      7.955 ppm2      4.154 CV     1
 ASSI { 1187}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 14   and name HA  ))
      5.800     4.200     0.200 peak  1187 weight  0.10000E+01 volume  0.25922E-04 ppm1      8.360 ppm2      3.360 CV     1
 ASSI { 1188}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 15   and name HA  ))
      4.100     2.100     1.900 peak  1188 weight  0.10000E+01 volume  0.20083E-03 ppm1      8.091 ppm2      4.347 CV     1
 ASSI { 1190}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.900     1.000     1.000 peak  1190 weight  0.10000E+01 volume  0.18388E-02 ppm1      8.091 ppm2      1.210 CV     1
 ASSI { 1191}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 18   and name HB3 ))
      2.600     0.800     0.800 peak  1191 weight  0.10000E+01 volume  0.32649E-02 ppm1      8.359 ppm2      1.583 CV     1
 ASSI { 1192}
   (( segid "PAH2" and resid 31   and name HN  ))
   (( segid "PAH2" and resid 27   and name HA  ))
      4.400     2.400     1.600 peak  1192 weight  0.10000E+01 volume  0.13559E-03 ppm1      8.096 ppm2      3.674 CV     1
 ASSI { 1194}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 31   and name HA  ))
      3.400     1.500     1.500 peak  1194 weight  0.10000E+01 volume  0.62919E-03 ppm1      7.634 ppm2      3.823 CV     1
 ASSI { 1196}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  1196 weight  0.10000E+01 volume  0.39081E-03 ppm1      7.326 ppm2      3.670 CV     1
 ASSI { 1197}
   (( segid "PAH2" and resid 38   and name HN  ))
   (( segid "PAH2" and resid 34   and name HA  ))
      4.000     2.000     2.000 peak  1197 weight  0.10000E+01 volume  0.25319E-03 ppm1      8.185 ppm2      3.664 CV     1
 ASSI { 1200}
   (( segid "PAH2" and resid 38   and name HN  ))
   (( segid "PAH2" and resid 37   and name HB  ))
      2.800     0.900     0.900 peak  1200 weight  0.10000E+01 volume  0.23032E-02 ppm1      8.185 ppm2      4.411 CV     1
 ASSI { 1201}
   (( segid "PAH2" and resid 37   and name HN  ))
   (( segid "PAH2" and resid 36   and name HA  ))
      3.800     1.800     1.800 peak  1201 weight  0.10000E+01 volume  0.32899E-03 ppm1      8.553 ppm2      4.184 CV     1
 ASSI { 1204}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 36   and name HA  ))
      3.500     1.500     1.500 peak  1204 weight  0.10000E+01 volume  0.57986E-03 ppm1      8.344 ppm2      4.184 CV     1
 ASSI { 1206}
   (( segid "PAH2" and resid 51   and name HN  ))
   (( segid "PAH2" and resid 51   and name HB3 ))
      2.600     0.800     0.800 peak  1206 weight  0.10000E+01 volume  0.33885E-02 ppm1      8.332 ppm2      1.623 CV     1
 ASSI { 1207}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 51   and name HB3 ))
      3.200     1.300     1.300 peak  1207 weight  0.10000E+01 volume  0.96120E-03 ppm1      7.758 ppm2      1.634 CV     1
 ASSI { 1208}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 51   and name HG3 ))
      3.300     1.300     1.300 peak  1208 weight  0.10000E+01 volume  0.81725E-03 ppm1      7.758 ppm2      1.553 CV     1
 OR { 1208}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 51   and name HG2 ))
 ASSI { 1209}
   (( segid "PAH2" and resid 59   and name HN  ))
   (( segid "PAH2" and resid 55   and name HA  ))
      4.500     2.500     1.500 peak  1209 weight  0.10000E+01 volume  0.12607E-03 ppm1      8.362 ppm2      3.807 CV     1
 ASSI { 1210}
   (( segid "PAH2" and resid 56   and name HN  ))
   (( segid "PAH2" and resid 55   and name HA  ))
      4.100     2.100     1.900 peak  1210 weight  0.10000E+01 volume  0.21285E-03 ppm1      8.831 ppm2      3.807 CV     1
 ASSI { 1214}
   (( segid "PAH2" and resid 60   and name HN  ))
   (( segid "PAH2" and resid 59   and name HB3 ))
      2.700     0.900     0.900 peak  1214 weight  0.10000E+01 volume  0.25000E-02 ppm1      8.318 ppm2      3.268 CV     1
 ASSI { 1215}
   (( segid "PAH2" and resid 60   and name HN  ))
   (( segid "PAH2" and resid 59   and name HB2 ))
      3.100     1.200     1.200 peak  1215 weight  0.10000E+01 volume  0.11859E-02 ppm1      8.318 ppm2      3.022 CV     1
 ASSI { 1218}
   (( segid "PAH2" and resid 59   and name HN  ))
   (( segid "PAH2" and resid 58   and name HA  ))
      5.600     4.000     0.400 peak  1218 weight  0.10000E+01 volume  0.31135E-04 ppm1      8.362 ppm2      3.554 CV     1
 ASSI { 1220}
   (( segid "PAH2" and resid 74   and name HN  ))
   (( segid "PAH2" and resid 73   and name HB3 ))
      2.800     1.000     1.000 peak  1220 weight  0.10000E+01 volume  0.22805E-02 ppm1      8.316 ppm2      1.807 CV     1
 ASSI { 1221}
   (( segid "PAH2" and resid 74   and name HN  ))
   (( segid "PAH2" and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak  1221 weight  0.10000E+01 volume  0.38512E-02 ppm1      8.316 ppm2      2.032 CV     1
 ASSI { 1222}
   (( segid "PAH2" and resid 60   and name HN  ))
   (  segid "PAH2" and resid 76   and name HE% )
      3.400     1.500     1.500 peak  1222 weight  0.10000E+01 volume  0.61932E-03 ppm1      8.320 ppm2      7.107 CV     1
 ASSI { 1224}
   (( segid "PAH2" and resid 60   and name HN  ))
   (  segid "PAH2" and resid 60   and name HG2%)
      2.900     1.000     1.000 peak  1224 weight  0.10000E+01 volume  0.17251E-02 ppm1      8.318 ppm2      1.200 CV     1
 ASSI { 1226}
   (( segid "PAH2" and resid 69   and name HN  ))
   (( segid "PAH2" and resid 66   and name HB2 ))
      4.700     2.700     1.300 peak  1226 weight  0.10000E+01 volume  0.94901E-04 ppm1      8.491 ppm2      2.866 CV     1
 ASSI { 1228}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak  1228 weight  0.10000E+01 volume  0.11655E-02 ppm1      7.775 ppm2      4.365 CV     1
 ASSI { 1229}
   (( segid "PAH2" and resid 73   and name HN  ))
   (  segid "PAH2" and resid 72   and name HD2%)
      5.400     3.700     0.600 peak  1229 weight  0.10000E+01 volume  0.39069E-04 ppm1      7.886 ppm2      0.460 CV     1
 ASSI { 1230}
   (( segid "PAH2" and resid 73   and name HN  ))
   (  segid "PAH2" and resid 72   and name HD1%)
      6.000     4.900     0.000 peak  1230 weight  0.10000E+01 volume  0.16693E-04 ppm1      7.886 ppm2      0.144 CV     1
 ASSI { 1231}
   (( segid "PAH2" and resid 73   and name HN  ))
   (  segid "PAH2" and resid 66   and name HD% )
      4.500     2.500     1.500 peak  1231 weight  0.10000E+01 volume  0.12375E-03 ppm1      7.887 ppm2      6.579 CV     1
 ASSI { 1232}
   (( segid "PAH2" and resid 74   and name HN  ))
   (  segid "PAH2" and resid 73   and name HD2%)
      3.400     1.400     1.400 peak  1232 weight  0.10000E+01 volume  0.65125E-03 ppm1      8.318 ppm2      0.797 CV     1
 OR { 1232}
   (( segid "PAH2" and resid 74   and name HN  ))
   (  segid "PAH2" and resid 73   and name HD1%)
 ASSI { 1234}
   (( segid "PAH2" and resid 79   and name HN  ))
   (  segid "PAH2" and resid 79   and name HD% )
      2.600     0.800     0.800 peak  1234 weight  0.10000E+01 volume  0.32882E-02 ppm1      7.621 ppm2      7.120 CV     1
 ASSI { 1239}
   (( segid "PAH2" and resid 21   and name HN  ))
   (  segid "PAH2" and resid 21   and name HE% )
      3.500     1.500     1.500 peak  1239 weight  0.10000E+01 volume  0.57951E-03 ppm1      7.210 ppm2      6.875 CV     1
 ASSI { 1242}
   (( segid "PAH2" and resid 8    and name HN  ))
   (  segid "PAH2" and resid 11   and name HD1%)
      4.900     3.000     1.100 peak  1242 weight  0.10000E+01 volume  0.75225E-04 ppm1      8.390 ppm2      0.351 CV     1
 ASSI { 1248}
   (( segid "PAH2" and resid 42   and name HE21))
   (( segid "PAH2" and resid 42   and name HE22))
      1.900     0.500     0.500 peak  1248 weight  0.10000E+01 volume  0.18969E-01 ppm1      6.787 ppm2      6.971 CV     1
 ASSI { 1250}
   (( segid "PAH2" and resid 42   and name HE21))
   (( segid "PAH2" and resid 42   and name HA  ))
      3.800     1.800     1.800 peak  1250 weight  0.10000E+01 volume  0.35267E-03 ppm1      6.787 ppm2      4.056 CV     1
 ASSI { 1251}
   (( segid "PAH2" and resid 42   and name HE21))
   (( segid "PAH2" and resid 42   and name HB3 ))
      2.700     0.900     0.900 peak  1251 weight  0.10000E+01 volume  0.25684E-02 ppm1      6.787 ppm2      2.078 CV     1
 ASSI { 1252}
   (( segid "PAH2" and resid 42   and name HE21))
   (( segid "PAH2" and resid 42   and name HB2 ))
      3.300     1.400     1.400 peak  1252 weight  0.10000E+01 volume  0.78881E-03 ppm1      6.787 ppm2      1.907 CV     1
 ASSI { 1254}
   (( segid "PAH2" and resid 42   and name HE22))
   (( segid "PAH2" and resid 42   and name HA  ))
      4.000     2.000     2.000 peak  1254 weight  0.10000E+01 volume  0.25945E-03 ppm1      6.992 ppm2      4.056 CV     1
 ASSI { 1256}
   (( segid "PAH2" and resid 42   and name HE22))
   (( segid "PAH2" and resid 42   and name HB2 ))
      3.300     1.300     1.300 peak  1256 weight  0.10000E+01 volume  0.79926E-03 ppm1      6.992 ppm2      1.920 CV     1
 ASSI { 1259}
   (( segid "PAH2" and resid 64   and name HD22))
   (( segid "PAH2" and resid 64   and name HD21))
      1.800     0.400     0.400 peak  1259 weight  0.10000E+01 volume  0.34350E-01 ppm1      6.903 ppm2      7.657 CV     1
 ASSI { 1261}
   (( segid "PAH2" and resid 64   and name HD22))
   (( segid "PAH2" and resid 64   and name HA  ))
      4.000     2.000     2.000 peak  1261 weight  0.10000E+01 volume  0.25278E-03 ppm1      6.903 ppm2      4.399 CV     1
 ASSI { 1262}
   (( segid "PAH2" and resid 64   and name HD22))
   (( segid "PAH2" and resid 61   and name HA  ))
      3.400     1.400     1.400 peak  1262 weight  0.10000E+01 volume  0.68085E-03 ppm1      6.903 ppm2      4.043 CV     1
 ASSI { 1263}
   (( segid "PAH2" and resid 64   and name HD22))
   (( segid "PAH2" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1263 weight  0.10000E+01 volume  0.27228E-02 ppm1      6.903 ppm2      2.764 CV     1
 ASSI { 1268}
   (( segid "PAH2" and resid 64   and name HD21))
   (( segid "PAH2" and resid 61   and name HA  ))
      3.200     1.300     1.300 peak  1268 weight  0.10000E+01 volume  0.10012E-02 ppm1      7.680 ppm2      4.043 CV     1
 ASSI { 1269}
   (( segid "PAH2" and resid 64   and name HD21))
   (( segid "PAH2" and resid 60   and name HA  ))
      5.200     3.400     0.800 peak  1269 weight  0.10000E+01 volume  0.51699E-04 ppm1      7.680 ppm2      3.753 CV     1
 ASSI { 1272}
   (( segid "PAH2" and resid 64   and name HD21))
   (( segid "PAH2" and resid 57   and name HG3 ))
      5.800     4.200     0.200 peak  1272 weight  0.10000E+01 volume  0.27129E-04 ppm1      7.680 ppm2      2.329 CV     1
 OR { 1272}
   (( segid "PAH2" and resid 64   and name HD21))
   (( segid "PAH2" and resid 57   and name HG2 ))
 ASSI { 1279}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 9    and name HD21))
      1.800     0.400     0.400 peak  1279 weight  0.10000E+01 volume  0.33288E-01 ppm1      7.881 ppm2      6.879 CV     1
 ASSI { 1280}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 9    and name HA  ))
      3.500     1.500     1.500 peak  1280 weight  0.10000E+01 volume  0.56052E-03 ppm1      7.881 ppm2      4.571 CV     1
 ASSI { 1281}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 6    and name HA  ))
      3.100     1.200     1.200 peak  1281 weight  0.10000E+01 volume  0.10889E-02 ppm1      7.881 ppm2      4.188 CV     1
 ASSI { 1282}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  1282 weight  0.10000E+01 volume  0.24431E-02 ppm1      7.881 ppm2      3.094 CV     1
 ASSI { 1283}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 9    and name HB3 ))
      2.700     0.900     0.900 peak  1283 weight  0.10000E+01 volume  0.25034E-02 ppm1      7.881 ppm2      2.988 CV     1
 ASSI { 1284}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 6    and name HG2 ))
      6.000     5.100     0.000 peak  1284 weight  0.10000E+01 volume  0.15143E-04 ppm1      7.881 ppm2      2.342 CV     1
 OR { 1284}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 6    and name HG3 ))
 ASSI { 1286}
   (( segid "PAH2" and resid 9    and name HD22))
   (  segid "PAH2" and resid 5    and name HG1%)
      3.200     1.200     1.200 peak  1286 weight  0.10000E+01 volume  0.10274E-02 ppm1      7.881 ppm2      0.904 CV     1
 ASSI { 1288}
   (( segid "PAH2" and resid 9    and name HD21))
   (( segid "PAH2" and resid 9    and name HA  ))
      4.000     2.000     2.000 peak  1288 weight  0.10000E+01 volume  0.23223E-03 ppm1      6.905 ppm2      4.571 CV     1
 ASSI { 1289}
   (( segid "PAH2" and resid 9    and name HD21))
   (( segid "PAH2" and resid 6    and name HA  ))
      3.400     1.500     1.500 peak  1289 weight  0.10000E+01 volume  0.63325E-03 ppm1      6.905 ppm2      4.188 CV     1
 ASSI { 1296}
   (( segid "PAH2" and resid 8    and name HD22))
   (( segid "PAH2" and resid 8    and name HD21))
      1.800     0.400     0.400 peak  1296 weight  0.10000E+01 volume  0.32371E-01 ppm1      7.001 ppm2      7.538 CV     1
 ASSI { 1299}
   (( segid "PAH2" and resid 8    and name HD21))
   (( segid "PAH2" and resid 8    and name HB3 ))
      2.800     1.000     1.000 peak  1299 weight  0.10000E+01 volume  0.21737E-02 ppm1      7.569 ppm2      2.922 CV     1
 ASSI { 1300}
   (( segid "PAH2" and resid 8    and name HD21))
   (( segid "PAH2" and resid 8    and name HB2 ))
      2.900     1.100     1.100 peak  1300 weight  0.10000E+01 volume  0.16014E-02 ppm1      7.569 ppm2      2.751 CV     1
 ASSI { 1301}
   (( segid "PAH2" and resid 8    and name HD22))
   (( segid "PAH2" and resid 5    and name HA  ))
      4.100     2.100     1.900 peak  1301 weight  0.10000E+01 volume  0.22741E-03 ppm1      7.001 ppm2      3.819 CV     1
 ASSI { 1302}
   (( segid "PAH2" and resid 8    and name HD22))
   (( segid "PAH2" and resid 8    and name HB3 ))
      3.000     1.100     1.100 peak  1302 weight  0.10000E+01 volume  0.13861E-02 ppm1      7.001 ppm2      2.909 CV     1
 ASSI { 1303}
   (( segid "PAH2" and resid 8    and name HD22))
   (( segid "PAH2" and resid 8    and name HB2 ))
      3.100     1.200     1.200 peak  1303 weight  0.10000E+01 volume  0.10988E-02 ppm1      7.001 ppm2      2.751 CV     1
 ASSI { 1307}
   (( segid "PAH2" and resid 15   and name HD21))
   (( segid "PAH2" and resid 15   and name HN  ))
      4.400     2.400     1.600 peak  1307 weight  0.10000E+01 volume  0.13930E-03 ppm1      7.465 ppm2      8.567 CV     1
 ASSI { 1310}
   (( segid "PAH2" and resid 15   and name HD21))
   (( segid "PAH2" and resid 15   and name HA  ))
      5.300     3.600     0.700 peak  1310 weight  0.10000E+01 volume  0.43771E-04 ppm1      7.465 ppm2      4.360 CV     1
 ASSI { 1311}
   (( segid "PAH2" and resid 15   and name HD21))
   (( segid "PAH2" and resid 12   and name HA  ))
      5.000     3.200     1.000 peak  1311 weight  0.10000E+01 volume  0.62222E-04 ppm1      7.465 ppm2      4.149 CV     1
 ASSI { 1312}
   (( segid "PAH2" and resid 15   and name HD21))
   (( segid "PAH2" and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak  1312 weight  0.10000E+01 volume  0.37263E-02 ppm1      7.465 ppm2      2.751 CV     1
 OR { 1312}
   (( segid "PAH2" and resid 15   and name HD21))
   (( segid "PAH2" and resid 15   and name HB3 ))
 ASSI { 1313}
   (( segid "PAH2" and resid 15   and name HD21))
   (  segid "PAH2" and resid 19   and name HG2%)
      5.200     3.400     0.800 peak  1313 weight  0.10000E+01 volume  0.50736E-04 ppm1      7.465 ppm2      1.129 CV     1
 ASSI { 1314}
   (( segid "PAH2" and resid 15   and name HD21))
   (  segid "PAH2" and resid 11   and name HG2%)
      2.900     1.100     1.100 peak  1314 weight  0.10000E+01 volume  0.16682E-02 ppm1      7.465 ppm2      0.891 CV     1
 ASSI { 1315}
   (( segid "PAH2" and resid 15   and name HD22))
   (( segid "PAH2" and resid 15   and name HD21))
      1.800     0.400     0.400 peak  1315 weight  0.10000E+01 volume  0.31988E-01 ppm1      6.747 ppm2      7.446 CV     1
 ASSI { 1318}
   (( segid "PAH2" and resid 15   and name HD22))
   (( segid "PAH2" and resid 15   and name HB3 ))
      2.700     0.900     0.900 peak  1318 weight  0.10000E+01 volume  0.23403E-02 ppm1      6.747 ppm2      2.738 CV     1
 ASSI { 1320}
   (( segid "PAH2" and resid 15   and name HD22))
   (  segid "MAD1" and resid 212  and name HD2%)
      3.100     1.200     1.200 peak  1320 weight  0.10000E+01 volume  0.12346E-02 ppm1      6.747 ppm2      0.904 CV     1
 OR { 1320}
   (( segid "PAH2" and resid 15   and name HD22))
   (  segid "MAD1" and resid 212  and name HD1%)
 ASSI { 1328}
   (( segid "PAH2" and resid 78   and name HE21))
   (( segid "PAH2" and resid 75   and name HA  ))
      3.200     1.300     1.300 peak  1328 weight  0.10000E+01 volume  0.98906E-03 ppm1      7.441 ppm2      4.043 CV     1
 ASSI { 1329}
   (( segid "PAH2" and resid 78   and name HE21))
   (( segid "PAH2" and resid 75   and name HG2 ))
      4.500     2.500     1.500 peak  1329 weight  0.10000E+01 volume  0.12834E-03 ppm1      7.441 ppm2      2.316 CV     1
 ASSI { 1330}
   (( segid "PAH2" and resid 78   and name HE21))
   (( segid "PAH2" and resid 78   and name HG3 ))
      2.500     0.800     0.800 peak  1330 weight  0.10000E+01 volume  0.43329E-02 ppm1      7.441 ppm2      1.946 CV     1
 ASSI { 1331}
   (( segid "PAH2" and resid 78   and name HE21))
   (( segid "PAH2" and resid 78   and name HB3 ))
      2.900     1.100     1.100 peak  1331 weight  0.10000E+01 volume  0.16258E-02 ppm1      7.441 ppm2      1.551 CV     1
 OR { 1331}
   (( segid "PAH2" and resid 78   and name HE21))
   (( segid "PAH2" and resid 78   and name HG2 ))
 ASSI { 1332}
   (( segid "PAH2" and resid 78   and name HE22))
   (( segid "PAH2" and resid 78   and name HE21))
      1.800     0.400     0.400 peak  1332 weight  0.10000E+01 volume  0.31848E-01 ppm1      6.953 ppm2      7.419 CV     1
 ASSI { 1333}
   (( segid "PAH2" and resid 78   and name HE22))
   (( segid "PAH2" and resid 75   and name HA  ))
      3.600     1.600     1.600 peak  1333 weight  0.10000E+01 volume  0.45239E-03 ppm1      6.953 ppm2      4.043 CV     1
 ASSI { 1334}
   (( segid "PAH2" and resid 78   and name HE22))
   (( segid "PAH2" and resid 78   and name HG3 ))
      2.900     1.000     1.000 peak  1334 weight  0.10000E+01 volume  0.18469E-02 ppm1      6.953 ppm2      1.946 CV     1
 ASSI { 1335}
   (( segid "PAH2" and resid 78   and name HE22))
   (( segid "PAH2" and resid 78   and name HG2 ))
      3.400     1.400     1.400 peak  1335 weight  0.10000E+01 volume  0.64486E-03 ppm1      6.953 ppm2      1.564 CV     1
 OR { 1335}
   (( segid "PAH2" and resid 78   and name HE22))
   (( segid "PAH2" and resid 78   and name HB3 ))
 ASSI { 1338}
   (( segid "PAH2" and resid 69   and name HE21))
   (( segid "PAH2" and resid 69   and name HE22))
      1.900     0.500     0.500 peak  1338 weight  0.10000E+01 volume  0.20159E-01 ppm1      7.528 ppm2      6.760 CV     1
 ASSI { 1339}
   (( segid "PAH2" and resid 69   and name HE21))
   (( segid "PAH2" and resid 69   and name HG3 ))
      2.600     0.800     0.800 peak  1339 weight  0.10000E+01 volume  0.36063E-02 ppm1      7.528 ppm2      2.236 CV     1
 OR { 1339}
   (( segid "PAH2" and resid 69   and name HE21))
   (( segid "PAH2" and resid 69   and name HG2 ))
 ASSI { 1341}
   (( segid "PAH2" and resid 69   and name HE22))
   (( segid "PAH2" and resid 69   and name HG3 ))
      2.700     0.900     0.900 peak  1341 weight  0.10000E+01 volume  0.27014E-02 ppm1      6.779 ppm2      2.236 CV     1
 OR { 1341}
   (( segid "PAH2" and resid 69   and name HE22))
   (( segid "PAH2" and resid 69   and name HG2 ))
 ASSI { 1342}
   (( segid "PAH2" and resid 69   and name HE22))
   (( segid "PAH2" and resid 69   and name HB2 ))
      4.000     2.000     2.000 peak  1342 weight  0.10000E+01 volume  0.24163E-03 ppm1      6.779 ppm2      1.854 CV     1
 OR { 1342}
   (( segid "PAH2" and resid 69   and name HE22))
   (( segid "PAH2" and resid 69   and name HB3 ))
 ASSI { 1346}
   (( segid "PAH2" and resid 39   and name HE22))
   (( segid "PAH2" and resid 39   and name HE21))
      1.800     0.400     0.400 peak  1346 weight  0.10000E+01 volume  0.30298E-01 ppm1      7.386 ppm2      6.813 CV     1
 ASSI { 1348}
   (( segid "PAH2" and resid 39   and name HE22))
   (( segid "PAH2" and resid 39   and name HG3 ))
      2.600     0.800     0.800 peak  1348 weight  0.10000E+01 volume  0.34890E-02 ppm1      7.386 ppm2      2.355 CV     1
 OR { 1348}
   (( segid "PAH2" and resid 39   and name HE22))
   (( segid "PAH2" and resid 39   and name HG2 ))
 ASSI { 1350}
   (( segid "PAH2" and resid 39   and name HE22))
   (  segid "PAH2" and resid 43   and name HD2%)
      4.300     2.300     1.700 peak  1350 weight  0.10000E+01 volume  0.16636E-03 ppm1      7.386 ppm2      0.865 CV     1
 OR { 1350}
   (( segid "PAH2" and resid 39   and name HE22))
   (  segid "PAH2" and resid 43   and name HD1%)
 ASSI { 1351}
   (( segid "PAH2" and resid 39   and name HE22))
   (  segid "MAD1" and resid 206  and name HD1%)
      5.000     3.100     1.000 peak  1351 weight  0.10000E+01 volume  0.65821E-04 ppm1      7.386 ppm2      0.548 CV     1
 ASSI { 1354}
   (( segid "PAH2" and resid 39   and name HE21))
   (( segid "PAH2" and resid 39   and name HG3 ))
      2.700     0.900     0.900 peak  1354 weight  0.10000E+01 volume  0.27803E-02 ppm1      6.826 ppm2      2.355 CV     1
 OR { 1354}
   (( segid "PAH2" and resid 39   and name HE21))
   (( segid "PAH2" and resid 39   and name HG2 ))
 ASSI { 1355}
   (( segid "PAH2" and resid 39   and name HE21))
   (( segid "PAH2" and resid 39   and name HB2 ))
      2.900     1.100     1.100 peak  1355 weight  0.10000E+01 volume  0.16786E-02 ppm1      6.826 ppm2      2.091 CV     1
 ASSI { 1356}
   (( segid "PAH2" and resid 39   and name HE21))
   (  segid "PAH2" and resid 43   and name HD1%)
      5.000     3.200     1.000 peak  1356 weight  0.10000E+01 volume  0.61758E-04 ppm1      6.826 ppm2      0.878 CV     1
 OR { 1356}
   (( segid "PAH2" and resid 39   and name HE21))
   (  segid "PAH2" and resid 43   and name HD2%)
 ASSI { 1357}
   (( segid "PAH2" and resid 39   and name HE21))
   (  segid "MAD1" and resid 206  and name HD2%)
      4.500     2.500     1.500 peak  1357 weight  0.10000E+01 volume  0.12410E-03 ppm1      6.826 ppm2      0.562 CV     1
 ASSI { 1358}
   (( segid "PAH2" and resid 8    and name HD22))
   (( segid "PAH2" and resid 8    and name HN  ))
      3.500     1.600     1.600 peak  1358 weight  0.10000E+01 volume  0.51496E-03 ppm1      7.001 ppm2      8.366 CV     1
 ASSI { 1359}
   (( segid "PAH2" and resid 8    and name HD21))
   (( segid "PAH2" and resid 8    and name HN  ))
      3.300     1.400     1.400 peak  1359 weight  0.10000E+01 volume  0.78532E-03 ppm1      7.569 ppm2      8.366 CV     1
 ASSI { 1362}
   (( segid "PAH2" and resid 9    and name HN  ))
   (( segid "PAH2" and resid 9    and name HD22))
      3.900     1.900     1.900 peak  1362 weight  0.10000E+01 volume  0.30229E-03 ppm1      8.374 ppm2      7.878 CV     1
 ASSI { 1363}
   (( segid "PAH2" and resid 9    and name HN  ))
   (( segid "PAH2" and resid 9    and name HD21))
      3.800     1.800     1.800 peak  1363 weight  0.10000E+01 volume  0.34350E-03 ppm1      8.374 ppm2      6.883 CV     1
 ASSI { 1364}
   (( segid "PAH2" and resid 39   and name HE21))
   (( segid "PAH2" and resid 39   and name HA  ))
      3.600     1.700     1.700 peak  1364 weight  0.10000E+01 volume  0.43161E-03 ppm1      6.826 ppm2      3.896 CV     1
 ASSI { 1365}
   (( segid "PAH2" and resid 39   and name HE22))
   (( segid "PAH2" and resid 39   and name HA  ))
      3.500     1.600     1.600 peak  1365 weight  0.10000E+01 volume  0.52257E-03 ppm1      7.386 ppm2      3.896 CV     1
 ASSI { 1366}
   (( segid "PAH2" and resid 42   and name HE21))
   (( segid "PAH2" and resid 39   and name HN  ))
      4.300     2.300     1.700 peak  1366 weight  0.10000E+01 volume  0.16299E-03 ppm1      6.787 ppm2      8.323 CV     1
 ASSI {  589}
   (( segid "PAH2" and resid 4    and name HA  ))
   (( segid "PAH2" and resid 5    and name HN  ))
      2.000     0.500     0.500 peak   589 weight  0.10000E+01 volume  0.14975E-01 ppm1      4.532 ppm2      8.425 CV     1
 ASSI {  590}
   (( segid "PAH2" and resid 4    and name HA  ))
   (( segid "PAH2" and resid 6    and name HN  ))
      2.900     1.100     1.100 peak   590 weight  0.10000E+01 volume  0.15096E-02 ppm1      4.532 ppm2      8.597 CV     1
 ASSI {  591}
   (( segid "PAH2" and resid 4    and name HA  ))
   (( segid "PAH2" and resid 4    and name HB3 ))
      2.000     0.500     0.500 peak   591 weight  0.10000E+01 volume  0.16411E-01 ppm1      4.533 ppm2      4.046 CV     1
 OR {  591}
   (( segid "PAH2" and resid 4    and name HA  ))
   (( segid "PAH2" and resid 4    and name HB2 ))
 ASSI {  592}
   (( segid "PAH2" and resid 4    and name HA  ))
   (( segid "PAH2" and resid 7    and name HB3 ))
      3.500     1.600     1.600 peak   592 weight  0.10000E+01 volume  0.49985E-03 ppm1      4.532 ppm2      3.304 CV     1
 ASSI {  593}
   (( segid "PAH2" and resid 4    and name HA  ))
   (( segid "PAH2" and resid 7    and name HB2 ))
      3.700     1.700     1.700 peak   593 weight  0.10000E+01 volume  0.39038E-03 ppm1      4.532 ppm2      3.017 CV     1
 ASSI {  596}
   (( segid "PAH2" and resid 4    and name HB3 ))
   (( segid "PAH2" and resid 7    and name HB3 ))
      4.000     2.000     2.000 peak   596 weight  0.10000E+01 volume  0.24119E-03 ppm1      4.004 ppm2      3.281 CV     1
 ASSI {  597}
   (( segid "PAH2" and resid 4    and name HB3 ))
   (( segid "PAH2" and resid 7    and name HB2 ))
      3.300     1.300     1.300 peak   597 weight  0.10000E+01 volume  0.78572E-03 ppm1      4.004 ppm2      3.040 CV     1
 ASSI {  598}
   (( segid "PAH2" and resid 4    and name HB3 ))
   (( segid "PAH2" and resid 5    and name HB  ))
      4.100     2.100     1.900 peak   598 weight  0.10000E+01 volume  0.20354E-03 ppm1      4.004 ppm2      2.083 CV     1
 ASSI {  599}
   (( segid "PAH2" and resid 4    and name HB3 ))
   (  segid "PAH2" and resid 5    and name HG2%)
      3.800     1.800     1.800 peak   599 weight  0.10000E+01 volume  0.30882E-03 ppm1      4.003 ppm2      1.030 CV     1
 ASSI {  600}
   (( segid "PAH2" and resid 4    and name HB2 ))
   (( segid "PAH2" and resid 7    and name HB3 ))
      4.700     2.700     1.300 peak   600 weight  0.10000E+01 volume  0.91218E-04 ppm1      4.078 ppm2      3.270 CV     1
 ASSI {  601}
   (( segid "PAH2" and resid 4    and name HB2 ))
   (( segid "PAH2" and resid 7    and name HB2 ))
      3.700     1.700     1.700 peak   601 weight  0.10000E+01 volume  0.39939E-03 ppm1      4.078 ppm2      3.017 CV     1
 ASSI {  602}
   (( segid "PAH2" and resid 4    and name HB2 ))
   (( segid "PAH2" and resid 5    and name HB  ))
      3.700     1.700     1.700 peak   602 weight  0.10000E+01 volume  0.38498E-03 ppm1      4.079 ppm2      2.083 CV     1
 ASSI {  603}
   (( segid "PAH2" and resid 4    and name HB2 ))
   (( segid "PAH2" and resid 4    and name HA  ))
      2.200     0.600     0.600 peak   603 weight  0.10000E+01 volume  0.75447E-02 ppm1      4.078 ppm2      4.532 CV     1
 ASSI {  606}
   (( segid "PAH2" and resid 4    and name HB2 ))
   (( segid "PAH2" and resid 5    and name HN  ))
      2.700     0.900     0.900 peak   606 weight  0.10000E+01 volume  0.22968E-02 ppm1      4.078 ppm2      8.425 CV     1
 ASSI {  607}
   (( segid "PAH2" and resid 4    and name HB2 ))
   (( segid "PAH2" and resid 6    and name HN  ))
      3.000     1.100     1.100 peak   607 weight  0.10000E+01 volume  0.12710E-02 ppm1      4.078 ppm2      8.586 CV     1
 ASSI {  608}
   (( segid "PAH2" and resid 4    and name HB3 ))
   (( segid "PAH2" and resid 4    and name HN  ))
      2.500     0.800     0.800 peak   608 weight  0.10000E+01 volume  0.36899E-02 ppm1      4.004 ppm2      8.173 CV     1
 ASSI {  610}
   (( segid "PAH2" and resid 4    and name HB3 ))
   (( segid "PAH2" and resid 6    and name HN  ))
      3.000     1.100     1.100 peak   610 weight  0.10000E+01 volume  0.12681E-02 ppm1      4.004 ppm2      8.586 CV     1
 ASSI {  613}
   (( segid "PAH2" and resid 5    and name HA  ))
   (( segid "PAH2" and resid 5    and name HB  ))
      2.400     0.700     0.700 peak   613 weight  0.10000E+01 volume  0.54319E-02 ppm1      3.855 ppm2      2.083 CV     1
 ASSI {  614}
   (( segid "PAH2" and resid 5    and name HA  ))
   (  segid "PAH2" and resid 5    and name HG2%)
      2.000     0.500     0.500 peak   614 weight  0.10000E+01 volume  0.14478E-01 ppm1      3.855 ppm2      1.030 CV     1
 ASSI {  615}
   (( segid "PAH2" and resid 5    and name HA  ))
   (  segid "PAH2" and resid 5    and name HG1%)
      2.200     0.600     0.600 peak   615 weight  0.10000E+01 volume  0.85606E-02 ppm1      3.855 ppm2      0.935 CV     1
 ASSI {  617}
   (( segid "PAH2" and resid 5    and name HA  ))
   (( segid "PAH2" and resid 8    and name HD21))
      3.500     1.500     1.500 peak   617 weight  0.10000E+01 volume  0.54396E-03 ppm1      3.855 ppm2      7.598 CV     1
 ASSI {  618}
   (( segid "PAH2" and resid 5    and name HA  ))
   (( segid "PAH2" and resid 5    and name HN  ))
      2.300     0.700     0.700 peak   618 weight  0.10000E+01 volume  0.57494E-02 ppm1      3.855 ppm2      8.425 CV     1
 ASSI {  620}
   (( segid "PAH2" and resid 5    and name HB  ))
   (  segid "PAH2" and resid 5    and name HG2%)
      2.000     0.500     0.500 peak   620 weight  0.10000E+01 volume  0.15090E-01 ppm1      2.083 ppm2      1.030 CV     1
 ASSI {  624}
   (( segid "PAH2" and resid 5    and name HB  ))
   (( segid "PAH2" and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   624 weight  0.10000E+01 volume  0.40046E-02 ppm1      2.083 ppm2      8.610 CV     1
 ASSI {  625}
   (  segid "PAH2" and resid 5    and name HG1%)
   (( segid "PAH2" and resid 5    and name HB  ))
      2.000     0.500     0.500 peak   625 weight  0.10000E+01 volume  0.16070E-01 ppm1      0.935 ppm2      2.083 CV     1
 ASSI {  627}
   (  segid "PAH2" and resid 5    and name HG1%)
   (( segid "PAH2" and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   627 weight  0.10000E+01 volume  0.10869E-02 ppm1      0.935 ppm2      4.222 CV     1
 ASSI {  628}
   (  segid "PAH2" and resid 5    and name HG1%)
   (( segid "PAH2" and resid 9    and name HD21))
      2.500     0.800     0.800 peak   628 weight  0.10000E+01 volume  0.36075E-02 ppm1      0.935 ppm2      6.922 CV     1
 ASSI {  631}
   (  segid "PAH2" and resid 5    and name HG1%)
   (( segid "PAH2" and resid 6    and name HN  ))
      2.700     0.900     0.900 peak   631 weight  0.10000E+01 volume  0.25490E-02 ppm1      0.935 ppm2      8.610 CV     1
 ASSI {  636}
   (  segid "PAH2" and resid 5    and name HG2%)
   (( segid "PAH2" and resid 6    and name HN  ))
      2.900     1.100     1.100 peak   636 weight  0.10000E+01 volume  0.15345E-02 ppm1      1.030 ppm2      8.610 CV     1
 ASSI {  644}
   (( segid "PAH2" and resid 6    and name HB2 ))
   (( segid "PAH2" and resid 6    and name HN  ))
      2.200     0.600     0.600 peak   644 weight  0.10000E+01 volume  0.76867E-02 ppm1      2.062 ppm2      8.599 CV     1
 ASSI {  645}
   (( segid "PAH2" and resid 6    and name HG3 ))
   (( segid "PAH2" and resid 6    and name HN  ))
      2.200     0.600     0.600 peak   645 weight  0.10000E+01 volume  0.79852E-02 ppm1      2.371 ppm2      8.611 CV     1
 ASSI {  646}
   (( segid "PAH2" and resid 7    and name HA  ))
   (  segid "PAH2" and resid 7    and name HD% )
      2.300     0.700     0.700 peak   646 weight  0.10000E+01 volume  0.59639E-02 ppm1      4.541 ppm2      7.213 CV     1
 ASSI {  648}
   (( segid "PAH2" and resid 7    and name HA  ))
   (( segid "PAH2" and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   648 weight  0.10000E+01 volume  0.22591E-02 ppm1      4.541 ppm2      8.405 CV     1
 ASSI {  649}
   (( segid "PAH2" and resid 7    and name HA  ))
   (( segid "PAH2" and resid 7    and name HN  ))
      2.600     0.800     0.800 peak   649 weight  0.10000E+01 volume  0.33588E-02 ppm1      4.541 ppm2      8.553 CV     1
 ASSI {  650}
   (( segid "PAH2" and resid 7    and name HA  ))
   (( segid "PAH2" and resid 7    and name HB2 ))
      2.600     0.800     0.800 peak   650 weight  0.10000E+01 volume  0.31862E-02 ppm1      4.541 ppm2      3.031 CV     1
 ASSI {  651}
   (( segid "PAH2" and resid 7    and name HA  ))
   (( segid "PAH2" and resid 7    and name HB3 ))
      2.500     0.800     0.800 peak   651 weight  0.10000E+01 volume  0.36694E-02 ppm1      4.541 ppm2      3.295 CV     1
 ASSI {  652}
   (( segid "PAH2" and resid 7    and name HA  ))
   (  segid "PAH2" and resid 10   and name HB% )
      2.300     0.700     0.700 peak   652 weight  0.10000E+01 volume  0.65636E-02 ppm1      4.541 ppm2      1.450 CV     1
 ASSI {  658}
   (( segid "PAH2" and resid 7    and name HB3 ))
   (  segid "PAH2" and resid 7    and name HD% )
      2.400     0.700     0.700 peak   658 weight  0.10000E+01 volume  0.52479E-02 ppm1      3.288 ppm2      7.201 CV     1
 ASSI {  660}
   (( segid "PAH2" and resid 8    and name HA  ))
   (( segid "PAH2" and resid 8    and name HB3 ))
      2.400     0.700     0.700 peak   660 weight  0.10000E+01 volume  0.54837E-02 ppm1      4.340 ppm2      2.930 CV     1
 ASSI {  661}
   (( segid "PAH2" and resid 8    and name HA  ))
   (( segid "PAH2" and resid 8    and name HB2 ))
      2.200     0.600     0.600 peak   661 weight  0.10000E+01 volume  0.79496E-02 ppm1      4.340 ppm2      2.804 CV     1
 ASSI {  662}
   (( segid "PAH2" and resid 8    and name HA  ))
   (( segid "PAH2" and resid 11   and name HG13))
      2.700     0.900     0.900 peak   662 weight  0.10000E+01 volume  0.22783E-02 ppm1      4.338 ppm2      0.515 CV     1
 ASSI {  664}
   (( segid "PAH2" and resid 8    and name HA  ))
   (  segid "PAH2" and resid 11   and name HG2%)
      2.900     1.100     1.100 peak   664 weight  0.10000E+01 volume  0.15281E-02 ppm1      4.337 ppm2      0.917 CV     1
 ASSI {  665}
   (( segid "PAH2" and resid 8    and name HA  ))
   (( segid "PAH2" and resid 11   and name HG12))
      3.200     1.300     1.300 peak   665 weight  0.10000E+01 volume  0.88589E-03 ppm1      4.337 ppm2      1.135 CV     1
 ASSI {  667}
   (( segid "PAH2" and resid 8    and name HA  ))
   (( segid "PAH2" and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   667 weight  0.10000E+01 volume  0.48876E-02 ppm1      4.340 ppm2      8.292 CV     1
 ASSI {  668}
   (( segid "PAH2" and resid 8    and name HB2 ))
   (( segid "PAH2" and resid 8    and name HB3 ))
      1.800     0.400     0.400 peak   668 weight  0.10000E+01 volume  0.24389E-01 ppm1      2.788 ppm2      2.942 CV     1
 ASSI {  675}
   (( segid "PAH2" and resid 9    and name HA  ))
   (( segid "PAH2" and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak   675 weight  0.10000E+01 volume  0.80775E-02 ppm1      4.603 ppm2      2.999 CV     1
 ASSI {  676}
   (( segid "PAH2" and resid 9    and name HA  ))
   (( segid "PAH2" and resid 10   and name HN  ))
      3.200     1.300     1.300 peak   676 weight  0.10000E+01 volume  0.82764E-03 ppm1      4.603 ppm2      8.179 CV     1
 ASSI {  679}
   (( segid "PAH2" and resid 9    and name HB2 ))
   (( segid "PAH2" and resid 9    and name HD21))
      2.700     0.900     0.900 peak   679 weight  0.10000E+01 volume  0.23814E-02 ppm1      3.003 ppm2      6.917 CV     1
 ASSI {  683}
   (( segid "PAH2" and resid 9    and name HB2 ))
   (( segid "PAH2" and resid 9    and name HB3 ))
      1.800     0.400     0.400 peak   683 weight  0.10000E+01 volume  0.26911E-01 ppm1      3.003 ppm2      3.136 CV     1
 ASSI {  685}
   (( segid "PAH2" and resid 9    and name HB3 ))
   (( segid "PAH2" and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   685 weight  0.10000E+01 volume  0.30512E-02 ppm1      3.131 ppm2      4.603 CV     1
 ASSI {  686}
   (( segid "PAH2" and resid 9    and name HB3 ))
   (( segid "PAH2" and resid 9    and name HD21))
      2.600     0.900     0.900 peak   686 weight  0.10000E+01 volume  0.27813E-02 ppm1      3.131 ppm2      6.940 CV     1
 ASSI {  688}
   (( segid "PAH2" and resid 9    and name HB3 ))
   (( segid "PAH2" and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   688 weight  0.10000E+01 volume  0.32239E-02 ppm1      3.131 ppm2      8.189 CV     1
 ASSI {  692}
   (( segid "PAH2" and resid 10   and name HA  ))
   (( segid "PAH2" and resid 13   and name HB3 ))
      2.900     1.000     1.000 peak   692 weight  0.10000E+01 volume  0.17214E-02 ppm1      4.123 ppm2      2.884 CV     1
 ASSI {  693}
   (( segid "PAH2" and resid 10   and name HA  ))
   (  segid "PAH2" and resid 10   and name HB% )
      2.000     0.500     0.500 peak   693 weight  0.10000E+01 volume  0.14911E-01 ppm1      4.123 ppm2      1.441 CV     1
 ASSI {  696}
   (( segid "PAH2" and resid 10   and name HA  ))
   (  segid "MAD1" and resid 205  and name HD2%)
      2.700     0.900     0.900 peak   696 weight  0.10000E+01 volume  0.24616E-02 ppm1      4.123 ppm2      0.208 CV     1
 ASSI {  697}
   (  segid "PAH2" and resid 10   and name HB% )
   (  segid "MAD1" and resid 205  and name HD2%)
      2.400     0.700     0.700 peak   697 weight  0.10000E+01 volume  0.48855E-02 ppm1      1.443 ppm2      0.202 CV     1
 ASSI {  703}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "MAD1" and resid 205  and name HA  ))
      2.600     0.800     0.800 peak   703 weight  0.10000E+01 volume  0.32423E-02 ppm1      1.443 ppm2      3.938 CV     1
 ASSI {  708}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "PAH2" and resid 10   and name HN  ))
      2.100     0.500     0.500 peak   708 weight  0.10000E+01 volume  0.11879E-01 ppm1      1.443 ppm2      8.200 CV     1
 ASSI {  710}
   (  segid "PAH2" and resid 10   and name HB% )
   (  segid "MAD1" and resid 205  and name HD1%)
      3.300     1.400     1.400 peak   710 weight  0.10000E+01 volume  0.71965E-03 ppm1      1.443 ppm2      0.883 CV     1
 ASSI {  711}
   (( segid "PAH2" and resid 11   and name HA  ))
   (( segid "PAH2" and resid 14   and name HB  ))
      3.200     1.300     1.300 peak   711 weight  0.10000E+01 volume  0.88945E-03 ppm1      3.438 ppm2      2.061 CV     1
 ASSI {  712}
   (( segid "PAH2" and resid 11   and name HA  ))
   (( segid "PAH2" and resid 11   and name HB  ))
      3.300     1.300     1.300 peak   712 weight  0.10000E+01 volume  0.80491E-03 ppm1      3.438 ppm2      1.773 CV     1
 ASSI {  713}
   (( segid "PAH2" and resid 11   and name HA  ))
   (  segid "MAD1" and resid 208  and name HB% )
      2.100     0.500     0.500 peak   713 weight  0.10000E+01 volume  0.12433E-01 ppm1      3.438 ppm2      1.302 CV     1
 ASSI {  714}
   (( segid "PAH2" and resid 11   and name HA  ))
   (( segid "PAH2" and resid 11   and name HG12))
      2.500     0.800     0.800 peak   714 weight  0.10000E+01 volume  0.40742E-02 ppm1      3.438 ppm2      1.154 CV     1
 ASSI {  715}
   (( segid "PAH2" and resid 11   and name HA  ))
   (  segid "PAH2" and resid 11   and name HG2%)
      2.400     0.700     0.700 peak   715 weight  0.10000E+01 volume  0.51995E-02 ppm1      3.438 ppm2      0.914 CV     1
 ASSI {  722}
   (( segid "PAH2" and resid 11   and name HB  ))
   (( segid "PAH2" and resid 8    and name HA  ))
      2.900     1.000     1.000 peak   722 weight  0.10000E+01 volume  0.16468E-02 ppm1      1.762 ppm2      4.328 CV     1
 ASSI {  725}
   (( segid "PAH2" and resid 11   and name HB  ))
   (( segid "PAH2" and resid 11   and name HG12))
      2.900     1.100     1.100 peak   725 weight  0.10000E+01 volume  0.14812E-02 ppm1      1.762 ppm2      1.143 CV     1
 ASSI {  727}
   (( segid "PAH2" and resid 11   and name HB  ))
   (  segid "PAH2" and resid 11   and name HD1%)
      2.900     1.100     1.100 peak   727 weight  0.10000E+01 volume  0.15921E-02 ppm1      1.762 ppm2      0.374 CV     1
 ASSI {  729}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 11   and name HG13))
      2.300     0.600     0.600 peak   729 weight  0.10000E+01 volume  0.70261E-02 ppm1      0.898 ppm2      0.547 CV     1
 ASSI {  730}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 11   and name HB  ))
      2.200     0.600     0.600 peak   730 weight  0.10000E+01 volume  0.96475E-02 ppm1      0.898 ppm2      1.762 CV     1
 ASSI {  732}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak   732 weight  0.10000E+01 volume  0.23884E-02 ppm1      0.898 ppm2      2.804 CV     1
 ASSI {  737}
   (  segid "PAH2" and resid 11   and name HG2%)
   (  segid "MAD1" and resid 211  and name HE% )
      2.800     1.000     1.000 peak   737 weight  0.10000E+01 volume  0.20488E-02 ppm1      0.898 ppm2      6.871 CV     1
 ASSI {  738}
   (  segid "PAH2" and resid 11   and name HG2%)
   (  segid "MAD1" and resid 211  and name HD% )
      2.700     0.900     0.900 peak   738 weight  0.10000E+01 volume  0.27422E-02 ppm1      0.898 ppm2      7.146 CV     1
 ASSI {  740}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 12   and name HN  ))
      2.600     0.900     0.900 peak   740 weight  0.10000E+01 volume  0.29945E-02 ppm1      0.898 ppm2      8.029 CV     1
 ASSI {  743}
   (( segid "PAH2" and resid 11   and name HG13))
   (  segid "PAH2" and resid 11   and name HD1%)
      2.300     0.600     0.600 peak   743 weight  0.10000E+01 volume  0.73031E-02 ppm1      0.547 ppm2      0.374 CV     1
 ASSI {  746}
   (( segid "PAH2" and resid 11   and name HG13))
   (( segid "PAH2" and resid 11   and name HG12))
      2.200     0.600     0.600 peak   746 weight  0.10000E+01 volume  0.88092E-02 ppm1      0.547 ppm2      1.143 CV     1
 ASSI {  749}
   (( segid "PAH2" and resid 11   and name HG13))
   (( segid "PAH2" and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   749 weight  0.10000E+01 volume  0.14549E-02 ppm1      0.547 ppm2      3.438 CV     1
 ASSI {  757}
   (( segid "PAH2" and resid 11   and name HG12))
   (( segid "PAH2" and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   757 weight  0.10000E+01 volume  0.45297E-02 ppm1      1.146 ppm2      8.267 CV     1
 ASSI {  758}
   (  segid "PAH2" and resid 11   and name HD1%)
   (  segid "PAH2" and resid 11   and name HG2%)
      1.900     0.400     0.400 peak   758 weight  0.10000E+01 volume  0.23699E-01 ppm1      0.374 ppm2      0.899 CV     1
 ASSI {  759}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 11   and name HG12))
      2.100     0.600     0.600 peak   759 weight  0.10000E+01 volume  0.10919E-01 ppm1      0.374 ppm2      1.164 CV     1
 ASSI {  761}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   761 weight  0.10000E+01 volume  0.34022E-02 ppm1      0.374 ppm2      3.438 CV     1
 ASSI {  762}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "MAD1" and resid 208  and name HA  ))
      2.900     1.100     1.100 peak   762 weight  0.10000E+01 volume  0.14649E-02 ppm1      0.374 ppm2      4.110 CV     1
 ASSI {  764}
   (  segid "PAH2" and resid 11   and name HD1%)
   (  segid "MAD1" and resid 211  and name HE% )
      2.600     0.900     0.900 peak   764 weight  0.10000E+01 volume  0.29170E-02 ppm1      0.374 ppm2      6.876 CV     1
 ASSI {  765}
   (  segid "PAH2" and resid 11   and name HD1%)
   (  segid "MAD1" and resid 211  and name HD% )
      2.400     0.700     0.700 peak   765 weight  0.10000E+01 volume  0.52166E-02 ppm1      0.374 ppm2      7.148 CV     1
 ASSI {  766}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   766 weight  0.10000E+01 volume  0.50810E-03 ppm1      0.374 ppm2      8.029 CV     1
 ASSI {  767}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   767 weight  0.10000E+01 volume  0.32218E-02 ppm1      0.374 ppm2      8.282 CV     1
 ASSI {  768}
   (( segid "PAH2" and resid 12   and name HA  ))
   (( segid "PAH2" and resid 15   and name HB3 ))
      2.400     0.700     0.700 peak   768 weight  0.10000E+01 volume  0.45915E-02 ppm1      4.193 ppm2      2.795 CV     1
 ASSI {  774}
   (( segid "PAH2" and resid 13   and name HA  ))
   (  segid "PAH2" and resid 13   and name HD% )
      2.300     0.600     0.600 peak   774 weight  0.10000E+01 volume  0.71184E-02 ppm1      4.445 ppm2      7.018 CV     1
 ASSI {  775}
   (( segid "PAH2" and resid 13   and name HA  ))
   (  segid "PAH2" and resid 13   and name HE% )
      3.300     1.400     1.400 peak   775 weight  0.10000E+01 volume  0.70808E-03 ppm1      4.445 ppm2      6.838 CV     1
 ASSI {  776}
   (( segid "PAH2" and resid 13   and name HA  ))
   (( segid "PAH2" and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak   776 weight  0.10000E+01 volume  0.35550E-02 ppm1      4.445 ppm2      3.490 CV     1
 ASSI {  778}
   (( segid "PAH2" and resid 13   and name HA  ))
   (( segid "PAH2" and resid 16   and name HB3 ))
      2.700     0.900     0.900 peak   778 weight  0.10000E+01 volume  0.27557E-02 ppm1      4.445 ppm2      1.973 CV     1
 OR {  778}
   (( segid "PAH2" and resid 13   and name HA  ))
   (( segid "PAH2" and resid 16   and name HB2 ))
 ASSI {  789}
   (( segid "PAH2" and resid 14   and name HA  ))
   (( segid "PAH2" and resid 14   and name HB  ))
      2.900     1.100     1.100 peak   789 weight  0.10000E+01 volume  0.15018E-02 ppm1      3.389 ppm2      2.061 CV     1
 ASSI {  790}
   (( segid "PAH2" and resid 14   and name HA  ))
   (( segid "PAH2" and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   790 weight  0.10000E+01 volume  0.13946E-02 ppm1      3.389 ppm2      1.843 CV     1
 ASSI {  791}
   (( segid "PAH2" and resid 14   and name HA  ))
   (  segid "PAH2" and resid 14   and name HG1%)
      2.000     0.500     0.500 peak   791 weight  0.10000E+01 volume  0.14968E-01 ppm1      3.389 ppm2      1.209 CV     1
 OR {  791}
   (( segid "PAH2" and resid 14   and name HA  ))
   (  segid "PAH2" and resid 14   and name HG2%)
 ASSI {  792}
   (( segid "PAH2" and resid 14   and name HA  ))
   (  segid "PAH2" and resid 17   and name HD1%)
      2.500     0.800     0.800 peak   792 weight  0.10000E+01 volume  0.36423E-02 ppm1      3.389 ppm2      0.017 CV     1
 ASSI {  795}
   (( segid "PAH2" and resid 14   and name HB  ))
   (  segid "PAH2" and resid 14   and name HG2%)
      2.100     0.600     0.600 peak   795 weight  0.10000E+01 volume  0.11267E-01 ppm1      2.061 ppm2      1.238 CV     1
 OR {  795}
   (( segid "PAH2" and resid 14   and name HB  ))
   (  segid "PAH2" and resid 14   and name HG1%)
 ASSI {  796}
   (( segid "PAH2" and resid 14   and name HB  ))
   (  segid "MAD1" and resid 212  and name HD1%)
      2.900     1.100     1.100 peak   796 weight  0.10000E+01 volume  0.14990E-02 ppm1      2.061 ppm2      0.962 CV     1
 ASSI {  799}
   (  segid "PAH2" and resid 14   and name HG2%)
   (  segid "PAH2" and resid 17   and name HD1%)
      3.300     1.400     1.400 peak   799 weight  0.10000E+01 volume  0.73529E-03 ppm1      1.246 ppm2      0.017 CV     1
 ASSI {  800}
   (  segid "PAH2" and resid 14   and name HG2%)
   (  segid "MAD1" and resid 205  and name HD2%)
      2.300     0.700     0.700 peak   800 weight  0.10000E+01 volume  0.64904E-02 ppm1      1.246 ppm2      0.208 CV     1
 ASSI {  801}
   (  segid "PAH2" and resid 14   and name HG2%)
   (  segid "MAD1" and resid 209  and name HB% )
      2.900     1.000     1.000 peak   801 weight  0.10000E+01 volume  0.16886E-02 ppm1      1.246 ppm2      1.657 CV     1
 ASSI {  802}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 14   and name HB  ))
      2.200     0.600     0.600 peak   802 weight  0.10000E+01 volume  0.86316E-02 ppm1      1.246 ppm2      2.061 CV     1
 ASSI {  803}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 13   and name HB3 ))
      3.100     1.200     1.200 peak   803 weight  0.10000E+01 volume  0.10152E-02 ppm1      1.246 ppm2      2.858 CV     1
 ASSI {  804}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 14   and name HA  ))
      2.200     0.600     0.600 peak   804 weight  0.10000E+01 volume  0.88021E-02 ppm1      1.246 ppm2      3.389 CV     1
 ASSI {  805}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "MAD1" and resid 205  and name HA  ))
      2.600     0.800     0.800 peak   805 weight  0.10000E+01 volume  0.32743E-02 ppm1      1.246 ppm2      3.933 CV     1
 ASSI {  806}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "MAD1" and resid 209  and name HA  ))
      2.700     0.900     0.900 peak   806 weight  0.10000E+01 volume  0.22840E-02 ppm1      1.246 ppm2      4.135 CV     1
 ASSI {  810}
   (  segid "PAH2" and resid 14   and name HG1%)
   (  segid "MAD1" and resid 212  and name HD1%)
      2.200     0.600     0.600 peak   810 weight  0.10000E+01 volume  0.80135E-02 ppm1      1.175 ppm2      0.962 CV     1
 ASSI {  812}
   (  segid "PAH2" and resid 14   and name HG1%)
   (  segid "MAD1" and resid 205  and name HD2%)
      4.000     2.000     2.000 peak   812 weight  0.10000E+01 volume  0.23174E-03 ppm1      1.176 ppm2      0.187 CV     1
 ASSI {  813}
   (  segid "PAH2" and resid 14   and name HG1%)
   (  segid "PAH2" and resid 17   and name HD1%)
      4.400     2.400     1.600 peak   813 weight  0.10000E+01 volume  0.13036E-03 ppm1      1.175 ppm2      0.017 CV     1
 ASSI {  814}
   (  segid "PAH2" and resid 14   and name HG1%)
   (  segid "MAD1" and resid 209  and name HB% )
      2.400     0.700     0.700 peak   814 weight  0.10000E+01 volume  0.50923E-02 ppm1      1.175 ppm2      1.657 CV     1
 ASSI {  815}
   (  segid "PAH2" and resid 14   and name HG1%)
   (( segid "PAH2" and resid 14   and name HB  ))
      2.300     0.600     0.600 peak   815 weight  0.10000E+01 volume  0.70446E-02 ppm1      1.175 ppm2      2.061 CV     1
 ASSI {  816}
   (  segid "PAH2" and resid 14   and name HG1%)
   (( segid "PAH2" and resid 14   and name HA  ))
      2.300     0.700     0.700 peak   816 weight  0.10000E+01 volume  0.62304E-02 ppm1      1.175 ppm2      3.389 CV     1
 ASSI {  817}
   (  segid "PAH2" and resid 14   and name HG1%)
   (( segid "MAD1" and resid 209  and name HA  ))
      2.400     0.700     0.700 peak   817 weight  0.10000E+01 volume  0.52507E-02 ppm1      1.175 ppm2      4.148 CV     1
 ASSI {  822}
   (( segid "PAH2" and resid 15   and name HA  ))
   (  segid "MAD1" and resid 212  and name HD1%)
      2.400     0.700     0.700 peak   822 weight  0.10000E+01 volume  0.44679E-02 ppm1      4.389 ppm2      0.937 CV     1
 ASSI {  824}
   (( segid "PAH2" and resid 15   and name HA  ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.300     0.700     0.700 peak   824 weight  0.10000E+01 volume  0.59128E-02 ppm1      4.389 ppm2      1.605 CV     1
 ASSI {  825}
   (( segid "PAH2" and resid 15   and name HA  ))
   (( segid "PAH2" and resid 15   and name HB2 ))
      1.900     0.400     0.400 peak   825 weight  0.10000E+01 volume  0.23230E-01 ppm1      4.389 ppm2      2.801 CV     1
 OR {  825}
   (( segid "PAH2" and resid 15   and name HA  ))
   (( segid "PAH2" and resid 15   and name HB3 ))
 ASSI {  826}
   (( segid "PAH2" and resid 15   and name HA  ))
   (( segid "PAH2" and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   826 weight  0.10000E+01 volume  0.35563E-02 ppm1      4.389 ppm2      8.607 CV     1
 ASSI {  827}
   (( segid "PAH2" and resid 15   and name HB2 ))
   (  segid "MAD1" and resid 212  and name HD1%)
      2.500     0.800     0.800 peak   827 weight  0.10000E+01 volume  0.35038E-02 ppm1      2.772 ppm2      0.950 CV     1
 ASSI {  828}
   (( segid "PAH2" and resid 15   and name HB2 ))
   (( segid "PAH2" and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   828 weight  0.10000E+01 volume  0.58283E-02 ppm1      2.772 ppm2      8.607 CV     1
 ASSI {  829}
   (( segid "PAH2" and resid 15   and name HB3 ))
   (  segid "MAD1" and resid 212  and name HD1%)
      2.600     0.800     0.800 peak   829 weight  0.10000E+01 volume  0.32736E-02 ppm1      2.806 ppm2      0.950 CV     1
 OR {  829}
   (( segid "PAH2" and resid 15   and name HB3 ))
   (  segid "MAD1" and resid 212  and name HD2%)
 ASSI {  830}
   (( segid "PAH2" and resid 15   and name HB3 ))
   (( segid "PAH2" and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   830 weight  0.10000E+01 volume  0.65806E-02 ppm1      2.806 ppm2      8.607 CV     1
 ASSI {  831}
   (( segid "PAH2" and resid 16   and name HA  ))
   (( segid "PAH2" and resid 16   and name HB2 ))
      2.100     0.500     0.500 peak   831 weight  0.10000E+01 volume  0.11935E-01 ppm1      3.861 ppm2      1.958 CV     1
 OR {  831}
   (( segid "PAH2" and resid 16   and name HA  ))
   (( segid "PAH2" and resid 16   and name HB3 ))
 ASSI {  832}
   (( segid "PAH2" and resid 16   and name HA  ))
   (( segid "PAH2" and resid 16   and name HG2 ))
      2.500     0.800     0.800 peak   832 weight  0.10000E+01 volume  0.36253E-02 ppm1      3.861 ppm2      1.155 CV     1
 ASSI {  833}
   (( segid "PAH2" and resid 16   and name HA  ))
   (( segid "PAH2" and resid 16   and name HG3 ))
      2.400     0.700     0.700 peak   833 weight  0.10000E+01 volume  0.48976E-02 ppm1      3.861 ppm2      1.536 CV     1
 ASSI {  834}
   (( segid "PAH2" and resid 16   and name HA  ))
   (( segid "PAH2" and resid 16   and name HN  ))
      2.400     0.700     0.700 peak   834 weight  0.10000E+01 volume  0.53985E-02 ppm1      3.861 ppm2      7.990 CV     1
 ASSI {  836}
   (( segid "PAH2" and resid 16   and name HB3 ))
   (( segid "PAH2" and resid 16   and name HG2 ))
      2.700     0.900     0.900 peak   836 weight  0.10000E+01 volume  0.24438E-02 ppm1      1.966 ppm2      1.152 CV     1
 OR {  836}
   (( segid "PAH2" and resid 16   and name HB2 ))
   (( segid "PAH2" and resid 16   and name HG2 ))
 ASSI {  840}
   (( segid "PAH2" and resid 16   and name HG2 ))
   (  segid "PAH2" and resid 72   and name HD2%)
      3.000     1.100     1.100 peak   840 weight  0.10000E+01 volume  0.13036E-02 ppm1      1.146 ppm2      0.497 CV     1
 ASSI {  841}
   (( segid "PAH2" and resid 16   and name HG2 ))
   (( segid "PAH2" and resid 16   and name HG3 ))
      1.900     0.500     0.500 peak   841 weight  0.10000E+01 volume  0.18620E-01 ppm1      1.146 ppm2      1.536 CV     1
 ASSI {  842}
   (( segid "PAH2" and resid 16   and name HG2 ))
   (( segid "PAH2" and resid 16   and name HD3 ))
      2.300     0.700     0.700 peak   842 weight  0.10000E+01 volume  0.57323E-02 ppm1      1.146 ppm2      1.668 CV     1
 OR {  842}
   (( segid "PAH2" and resid 16   and name HG2 ))
   (( segid "PAH2" and resid 16   and name HD2 ))
 ASSI {  844}
   (( segid "PAH2" and resid 16   and name HG2 ))
   (( segid "PAH2" and resid 16   and name HE2 ))
      3.100     1.200     1.200 peak   844 weight  0.10000E+01 volume  0.11310E-02 ppm1      1.146 ppm2      2.852 CV     1
 OR {  844}
   (( segid "PAH2" and resid 16   and name HG2 ))
   (( segid "PAH2" and resid 16   and name HE3 ))
 ASSI {  847}
   (( segid "PAH2" and resid 16   and name HG3 ))
   (  segid "PAH2" and resid 72   and name HD2%)
      4.100     2.100     1.900 peak   847 weight  0.10000E+01 volume  0.21221E-03 ppm1      1.536 ppm2      0.484 CV     1
 ASSI {  848}
   (( segid "PAH2" and resid 16   and name HG3 ))
   (( segid "PAH2" and resid 16   and name HB2 ))
      2.300     0.700     0.700 peak   848 weight  0.10000E+01 volume  0.63213E-02 ppm1      1.536 ppm2      1.958 CV     1
 OR {  848}
   (( segid "PAH2" and resid 16   and name HG3 ))
   (( segid "PAH2" and resid 16   and name HB3 ))
 ASSI {  849}
   (( segid "PAH2" and resid 16   and name HG3 ))
   (( segid "PAH2" and resid 16   and name HE3 ))
      2.700     0.900     0.900 peak   849 weight  0.10000E+01 volume  0.23884E-02 ppm1      1.536 ppm2      2.877 CV     1
 OR {  849}
   (( segid "PAH2" and resid 16   and name HG3 ))
   (( segid "PAH2" and resid 16   and name HE2 ))
 ASSI {  852}
   (( segid "PAH2" and resid 16   and name HD3 ))
   (  segid "PAH2" and resid 72   and name HD2%)
      2.800     1.000     1.000 peak   852 weight  0.10000E+01 volume  0.21270E-02 ppm1      1.659 ppm2      0.497 CV     1
 ASSI {  853}
   (( segid "PAH2" and resid 16   and name HD3 ))
   (( segid "PAH2" and resid 16   and name HE2 ))
      2.300     0.700     0.700 peak   853 weight  0.10000E+01 volume  0.58361E-02 ppm1      1.659 ppm2      2.852 CV     1
 OR {  853}
   (( segid "PAH2" and resid 16   and name HD2 ))
   (( segid "PAH2" and resid 16   and name HE3 ))
 OR {  853}
   (( segid "PAH2" and resid 16   and name HD2 ))
   (( segid "PAH2" and resid 16   and name HE2 ))
 ASSI {  856}
   (( segid "PAH2" and resid 16   and name HE2 ))
   (( segid "PAH2" and resid 16   and name HB3 ))
      3.000     1.200     1.200 peak   856 weight  0.10000E+01 volume  0.12084E-02 ppm1      2.817 ppm2      1.958 CV     1
 OR {  856}
   (( segid "PAH2" and resid 16   and name HE2 ))
   (( segid "PAH2" and resid 16   and name HB2 ))
 ASSI {  857}
   (( segid "PAH2" and resid 16   and name HE2 ))
   (( segid "PAH2" and resid 16   and name HD3 ))
      2.300     0.700     0.700 peak   857 weight  0.10000E+01 volume  0.64520E-02 ppm1      2.817 ppm2      1.655 CV     1
 OR {  857}
   (( segid "PAH2" and resid 16   and name HE2 ))
   (( segid "PAH2" and resid 16   and name HD2 ))
 ASSI {  858}
   (( segid "PAH2" and resid 16   and name HE2 ))
   (( segid "PAH2" and resid 16   and name HG3 ))
      2.600     0.800     0.800 peak   858 weight  0.10000E+01 volume  0.31671E-02 ppm1      2.817 ppm2      1.536 CV     1
 ASSI {  859}
   (( segid "PAH2" and resid 16   and name HE2 ))
   (( segid "PAH2" and resid 16   and name HG2 ))
      3.000     1.100     1.100 peak   859 weight  0.10000E+01 volume  0.14280E-02 ppm1      2.817 ppm2      1.139 CV     1
 ASSI {  860}
   (( segid "PAH2" and resid 16   and name HE2 ))
   (  segid "PAH2" and resid 72   and name HD2%)
      3.100     1.200     1.200 peak   860 weight  0.10000E+01 volume  0.10457E-02 ppm1      2.817 ppm2      0.497 CV     1
 ASSI {  863}
   (( segid "PAH2" and resid 16   and name HE3 ))
   (( segid "PAH2" and resid 16   and name HB2 ))
      3.100     1.200     1.200 peak   863 weight  0.10000E+01 volume  0.11481E-02 ppm1      2.890 ppm2      1.970 CV     1
 OR {  863}
   (( segid "PAH2" and resid 16   and name HE3 ))
   (( segid "PAH2" and resid 16   and name HB3 ))
 ASSI {  864}
   (( segid "PAH2" and resid 16   and name HE3 ))
   (( segid "PAH2" and resid 16   and name HD2 ))
      2.200     0.600     0.600 peak   864 weight  0.10000E+01 volume  0.75020E-02 ppm1      2.890 ppm2      1.655 CV     1
 OR {  864}
   (( segid "PAH2" and resid 16   and name HE3 ))
   (( segid "PAH2" and resid 16   and name HD3 ))
 ASSI {  865}
   (( segid "PAH2" and resid 16   and name HE3 ))
   (( segid "PAH2" and resid 16   and name HG3 ))
      2.500     0.800     0.800 peak   865 weight  0.10000E+01 volume  0.43115E-02 ppm1      2.890 ppm2      1.536 CV     1
 ASSI {  866}
   (( segid "PAH2" and resid 16   and name HE3 ))
   (( segid "PAH2" and resid 16   and name HG2 ))
      3.200     1.300     1.300 peak   866 weight  0.10000E+01 volume  0.87524E-03 ppm1      2.890 ppm2      1.139 CV     1
 ASSI {  867}
   (( segid "PAH2" and resid 16   and name HE3 ))
   (  segid "PAH2" and resid 72   and name HD2%)
      3.400     1.400     1.400 peak   867 weight  0.10000E+01 volume  0.62353E-03 ppm1      2.890 ppm2      0.497 CV     1
 ASSI {  868}
   (( segid "PAH2" and resid 17   and name HA  ))
   (( segid "PAH2" and resid 17   and name HB  ))
      3.100     1.200     1.200 peak   868 weight  0.10000E+01 volume  0.10287E-02 ppm1      3.136 ppm2      1.843 CV     1
 ASSI {  869}
   (( segid "PAH2" and resid 17   and name HA  ))
   (( segid "PAH2" and resid 20   and name HB3 ))
      3.100     1.200     1.200 peak   869 weight  0.10000E+01 volume  0.10748E-02 ppm1      3.136 ppm2      1.617 CV     1
 ASSI {  870}
   (( segid "PAH2" and resid 17   and name HA  ))
   (( segid "PAH2" and resid 17   and name HG13))
      2.500     0.800     0.800 peak   870 weight  0.10000E+01 volume  0.36394E-02 ppm1      3.136 ppm2      1.080 CV     1
 ASSI {  873}
   (( segid "PAH2" and resid 17   and name HA  ))
   (( segid "PAH2" and resid 17   and name HG12))
      2.700     0.900     0.900 peak   873 weight  0.10000E+01 volume  0.26890E-02 ppm1      3.136 ppm2      0.383 CV     1
 ASSI {  874}
   (( segid "PAH2" and resid 17   and name HA  ))
   (  segid "PAH2" and resid 72   and name HD1%)
      2.600     0.900     0.900 peak   874 weight  0.10000E+01 volume  0.28680E-02 ppm1      3.136 ppm2      0.207 CV     1
 ASSI {  875}
   (( segid "PAH2" and resid 17   and name HA  ))
   (  segid "PAH2" and resid 17   and name HD1%)
      3.100     1.200     1.200 peak   875 weight  0.10000E+01 volume  0.11566E-02 ppm1      3.136 ppm2      0.017 CV     1
 ASSI {  876}
   (( segid "PAH2" and resid 17   and name HA  ))
   (  segid "PAH2" and resid 21   and name HE% )
      4.300     2.300     1.700 peak   876 weight  0.10000E+01 volume  0.14713E-03 ppm1      3.136 ppm2      6.869 CV     1
 ASSI {  877}
   (( segid "PAH2" and resid 17   and name HA  ))
   (  segid "PAH2" and resid 21   and name HD% )
      3.700     1.700     1.700 peak   877 weight  0.10000E+01 volume  0.38092E-03 ppm1      3.136 ppm2      7.284 CV     1
 ASSI {  879}
   (( segid "PAH2" and resid 17   and name HA  ))
   (( segid "PAH2" and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   879 weight  0.10000E+01 volume  0.51676E-03 ppm1      3.136 ppm2      8.002 CV     1
 ASSI {  880}
   (( segid "PAH2" and resid 17   and name HA  ))
   (( segid "PAH2" and resid 18   and name HN  ))
      4.300     2.400     1.700 peak   880 weight  0.10000E+01 volume  0.14414E-03 ppm1      3.136 ppm2      8.396 CV     1
 ASSI {  888}
   (  segid "PAH2" and resid 17   and name HG2%)
   (( segid "PAH2" and resid 17   and name HG12))
      2.600     0.900     0.900 peak   888 weight  0.10000E+01 volume  0.30299E-02 ppm1      0.808 ppm2      0.371 CV     1
 ASSI {  889}
   (  segid "PAH2" and resid 17   and name HG2%)
   (( segid "PAH2" and resid 17   and name HB  ))
      2.400     0.700     0.700 peak   889 weight  0.10000E+01 volume  0.53005E-02 ppm1      0.808 ppm2      1.843 CV     1
 ASSI {  890}
   (  segid "PAH2" and resid 17   and name HG2%)
   (( segid "PAH2" and resid 17   and name HA  ))
      2.200     0.600     0.600 peak   890 weight  0.10000E+01 volume  0.78857E-02 ppm1      0.808 ppm2      3.136 CV     1
 ASSI {  892}
   (  segid "PAH2" and resid 17   and name HG2%)
   (( segid "PAH2" and resid 66   and name HZ  ))
      2.600     0.800     0.800 peak   892 weight  0.10000E+01 volume  0.31436E-02 ppm1      0.808 ppm2      6.016 CV     1
 ASSI {  896}
   (  segid "PAH2" and resid 17   and name HG2%)
   (  segid "PAH2" and resid 21   and name HD% )
      2.300     0.600     0.600 peak   896 weight  0.10000E+01 volume  0.71256E-02 ppm1      0.808 ppm2      7.297 CV     1
 ASSI {  897}
   (  segid "PAH2" and resid 17   and name HG2%)
   (( segid "PAH2" and resid 17   and name HN  ))
      2.900     1.000     1.000 peak   897 weight  0.10000E+01 volume  0.17022E-02 ppm1      0.808 ppm2      7.662 CV     1
 ASSI {  899}
   (  segid "PAH2" and resid 17   and name HG2%)
   (( segid "PAH2" and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   899 weight  0.10000E+01 volume  0.99885E-03 ppm1      0.808 ppm2      8.380 CV     1
 ASSI {  905}
   (( segid "PAH2" and resid 17   and name HG13))
   (( segid "PAH2" and resid 17   and name HG12))
      2.400     0.700     0.700 peak   905 weight  0.10000E+01 volume  0.56194E-02 ppm1      1.058 ppm2      0.371 CV     1
 ASSI {  906}
   (( segid "PAH2" and resid 17   and name HG13))
   (( segid "PAH2" and resid 17   and name HB  ))
      3.200     1.300     1.300 peak   906 weight  0.10000E+01 volume  0.95623E-03 ppm1      1.058 ppm2      1.843 CV     1
 ASSI {  908}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 17   and name HG12))
      2.300     0.600     0.600 peak   908 weight  0.10000E+01 volume  0.72676E-02 ppm1      0.017 ppm2      0.371 CV     1
 ASSI {  910}
   (  segid "PAH2" and resid 17   and name HD1%)
   (  segid "PAH2" and resid 17   and name HG2%)
      2.100     0.500     0.500 peak   910 weight  0.10000E+01 volume  0.11494E-01 ppm1      0.017 ppm2      0.808 CV     1
 ASSI {  911}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 17   and name HG13))
      2.100     0.600     0.600 peak   911 weight  0.10000E+01 volume  0.10869E-01 ppm1      0.017 ppm2      1.063 CV     1
 ASSI {  912}
   (  segid "PAH2" and resid 17   and name HD1%)
   (  segid "PAH2" and resid 14   and name HG2%)
      2.500     0.800     0.800 peak   912 weight  0.10000E+01 volume  0.39059E-02 ppm1      0.017 ppm2      1.238 CV     1
 OR {  912}
   (  segid "PAH2" and resid 17   and name HD1%)
   (  segid "PAH2" and resid 14   and name HG1%)
 ASSI {  913}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 17   and name HB  ))
      2.300     0.700     0.700 peak   913 weight  0.10000E+01 volume  0.62694E-02 ppm1      0.017 ppm2      1.843 CV     1
 ASSI {  916}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 66   and name HZ  ))
      2.500     0.800     0.800 peak   916 weight  0.10000E+01 volume  0.39670E-02 ppm1      0.017 ppm2      6.012 CV     1
 ASSI {  917}
   (  segid "PAH2" and resid 17   and name HD1%)
   (  segid "PAH2" and resid 66   and name HE% )
      2.500     0.800     0.800 peak   917 weight  0.10000E+01 volume  0.38121E-02 ppm1      0.017 ppm2      6.705 CV     1
 ASSI {  919}
   (  segid "PAH2" and resid 17   and name HD1%)
   (  segid "PAH2" and resid 13   and name HD% )
      2.400     0.700     0.700 peak   919 weight  0.10000E+01 volume  0.55910E-02 ppm1      0.017 ppm2      6.995 CV     1
 ASSI {  921}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   921 weight  0.10000E+01 volume  0.20183E-02 ppm1      0.017 ppm2      7.662 CV     1
 ASSI {  924}
   (( segid "PAH2" and resid 18   and name HA  ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.600     0.800     0.800 peak   924 weight  0.10000E+01 volume  0.31279E-02 ppm1      3.098 ppm2      1.606 CV     1
 ASSI {  925}
   (( segid "PAH2" and resid 18   and name HA  ))
   (( segid "PAH2" and resid 18   and name HB3 ))
      2.400     0.700     0.700 peak   925 weight  0.10000E+01 volume  0.53282E-02 ppm1      3.098 ppm2      1.250 CV     1
 ASSI {  926}
   (( segid "PAH2" and resid 18   and name HA  ))
   (( segid "PAH2" and resid 18   and name HG3 ))
      2.500     0.800     0.800 peak   926 weight  0.10000E+01 volume  0.40032E-02 ppm1      3.098 ppm2      0.765 CV     1
 ASSI {  927}
   (( segid "PAH2" and resid 18   and name HA  ))
   (( segid "PAH2" and resid 18   and name HG2 ))
      2.500     0.800     0.800 peak   927 weight  0.10000E+01 volume  0.43705E-02 ppm1      3.099 ppm2      0.521 CV     1
 ASSI {  928}
   (( segid "PAH2" and resid 18   and name HA  ))
   (  segid "PAH2" and resid 28   and name HE% )
      3.300     1.300     1.300 peak   928 weight  0.10000E+01 volume  0.78218E-03 ppm1      3.098 ppm2      6.762 CV     1
 ASSI {  929}
   (( segid "PAH2" and resid 18   and name HA  ))
   (  segid "PAH2" and resid 28   and name HD% )
      3.000     1.100     1.100 peak   929 weight  0.10000E+01 volume  0.14408E-02 ppm1      3.098 ppm2      7.051 CV     1
 ASSI {  931}
   (( segid "PAH2" and resid 18   and name HA  ))
   (( segid "PAH2" and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   931 weight  0.10000E+01 volume  0.24943E-02 ppm1      3.098 ppm2      8.400 CV     1
 ASSI {  934}
   (( segid "PAH2" and resid 18   and name HB3 ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.200     0.600     0.600 peak   934 weight  0.10000E+01 volume  0.76299E-02 ppm1      1.250 ppm2      1.617 CV     1
 ASSI {  936}
   (( segid "PAH2" and resid 18   and name HB3 ))
   (( segid "PAH2" and resid 15   and name HA  ))
      3.700     1.700     1.700 peak   936 weight  0.10000E+01 volume  0.35635E-03 ppm1      1.250 ppm2      4.388 CV     1
 ASSI {  947}
   (( segid "PAH2" and resid 18   and name HG2 ))
   (( segid "PAH2" and resid 18   and name HG3 ))
      1.900     0.500     0.500 peak   947 weight  0.10000E+01 volume  0.17725E-01 ppm1      0.516 ppm2      0.723 CV     1
 ASSI {  951}
   (( segid "PAH2" and resid 18   and name HG3 ))
   (( segid "PAH2" and resid 18   and name HD3 ))
      2.200     0.600     0.600 peak   951 weight  0.10000E+01 volume  0.89087E-02 ppm1      0.719 ppm2      1.416 CV     1
 OR {  951}
   (( segid "PAH2" and resid 18   and name HG3 ))
   (( segid "PAH2" and resid 18   and name HD2 ))
 ASSI {  952}
   (( segid "PAH2" and resid 18   and name HG2 ))
   (( segid "PAH2" and resid 18   and name HD2 ))
      2.200     0.600     0.600 peak   952 weight  0.10000E+01 volume  0.78501E-02 ppm1      0.516 ppm2      1.391 CV     1
 OR {  952}
   (( segid "PAH2" and resid 18   and name HG2 ))
   (( segid "PAH2" and resid 18   and name HD3 ))
 ASSI {  953}
   (( segid "PAH2" and resid 18   and name HG3 ))
   (( segid "PAH2" and resid 18   and name HE2 ))
      2.800     0.900     0.900 peak   953 weight  0.10000E+01 volume  0.22222E-02 ppm1      0.719 ppm2      2.801 CV     1
 OR {  953}
   (( segid "PAH2" and resid 18   and name HG3 ))
   (( segid "PAH2" and resid 18   and name HE3 ))
 ASSI {  955}
   (( segid "PAH2" and resid 18   and name HD2 ))
   (( segid "PAH2" and resid 18   and name HG2 ))
      2.900     1.000     1.000 peak   955 weight  0.10000E+01 volume  0.16724E-02 ppm1      1.382 ppm2      0.534 CV     1
 ASSI {  956}
   (( segid "PAH2" and resid 18   and name HD2 ))
   (( segid "PAH2" and resid 18   and name HG3 ))
      3.000     1.100     1.100 peak   956 weight  0.10000E+01 volume  0.14038E-02 ppm1      1.382 ppm2      0.723 CV     1
 ASSI {  957}
   (( segid "PAH2" and resid 18   and name HD2 ))
   (  segid "MAD1" and resid 212  and name HD1%)
      3.500     1.600     1.600 peak   957 weight  0.10000E+01 volume  0.48820E-03 ppm1      1.382 ppm2      0.950 CV     1
 ASSI {  958}
   (( segid "PAH2" and resid 18   and name HD2 ))
   (( segid "PAH2" and resid 18   and name HE3 ))
      2.500     0.800     0.800 peak   958 weight  0.10000E+01 volume  0.35429E-02 ppm1      1.381 ppm2      2.804 CV     1
 OR {  958}
   (( segid "PAH2" and resid 18   and name HD2 ))
   (( segid "PAH2" and resid 18   and name HE2 ))
 ASSI {  960}
   (( segid "PAH2" and resid 18   and name HD3 ))
   (  segid "MAD1" and resid 212  and name HD1%)
      3.500     1.500     1.500 peak   960 weight  0.10000E+01 volume  0.54752E-03 ppm1      1.465 ppm2      0.963 CV     1
 ASSI {  961}
   (( segid "PAH2" and resid 18   and name HD3 ))
   (( segid "PAH2" and resid 18   and name HG3 ))
      2.900     1.000     1.000 peak   961 weight  0.10000E+01 volume  0.17327E-02 ppm1      1.465 ppm2      0.723 CV     1
 ASSI {  962}
   (( segid "PAH2" and resid 18   and name HD3 ))
   (( segid "PAH2" and resid 18   and name HG2 ))
      3.000     1.100     1.100 peak   962 weight  0.10000E+01 volume  0.14016E-02 ppm1      1.465 ppm2      0.522 CV     1
 ASSI {  963}
   (( segid "PAH2" and resid 18   and name HD3 ))
   (( segid "PAH2" and resid 18   and name HE2 ))
      2.500     0.800     0.800 peak   963 weight  0.10000E+01 volume  0.36238E-02 ppm1      1.465 ppm2      2.801 CV     1
 OR {  963}
   (( segid "PAH2" and resid 18   and name HD3 ))
   (( segid "PAH2" and resid 18   and name HE3 ))
 ASSI {  965}
   (( segid "PAH2" and resid 18   and name HE2 ))
   (( segid "PAH2" and resid 18   and name HD3 ))
      2.000     0.500     0.500 peak   965 weight  0.10000E+01 volume  0.15835E-01 ppm1      2.801 ppm2      1.416 CV     1
 OR {  965}
   (( segid "PAH2" and resid 18   and name HE3 ))
   (( segid "PAH2" and resid 18   and name HD2 ))
 OR {  965}
   (( segid "PAH2" and resid 18   and name HE3 ))
   (( segid "PAH2" and resid 18   and name HD3 ))
 ASSI {  966}
   (( segid "PAH2" and resid 18   and name HE3 ))
   (  segid "MAD1" and resid 212  and name HD1%)
      2.800     1.000     1.000 peak   966 weight  0.10000E+01 volume  0.21008E-02 ppm1      2.801 ppm2      0.925 CV     1
 OR {  966}
   (( segid "PAH2" and resid 18   and name HE2 ))
   (  segid "MAD1" and resid 212  and name HD1%)
 ASSI {  968}
   (( segid "PAH2" and resid 18   and name HE3 ))
   (( segid "PAH2" and resid 18   and name HG2 ))
      2.300     0.700     0.700 peak   968 weight  0.10000E+01 volume  0.58880E-02 ppm1      2.801 ppm2      0.522 CV     1
 OR {  968}
   (( segid "PAH2" and resid 18   and name HE2 ))
   (( segid "PAH2" and resid 18   and name HG2 ))
 ASSI {  971}
   (( segid "PAH2" and resid 18   and name HE2 ))
   (  segid "PAH2" and resid 28   and name HD% )
      3.800     1.800     1.800 peak   971 weight  0.10000E+01 volume  0.29994E-03 ppm1      2.802 ppm2      7.028 CV     1
 OR {  971}
   (( segid "PAH2" and resid 18   and name HE3 ))
   (  segid "PAH2" and resid 28   and name HD% )
 ASSI {  972}
   (( segid "PAH2" and resid 19   and name HA  ))
   (( segid "PAH2" and resid 19   and name HB  ))
      2.400     0.700     0.700 peak   972 weight  0.10000E+01 volume  0.49481E-02 ppm1      3.761 ppm2      4.087 CV     1
 ASSI {  976}
   (( segid "PAH2" and resid 19   and name HA  ))
   (( segid "PAH2" and resid 22   and name HG  ))
      2.100     0.500     0.500 peak   976 weight  0.10000E+01 volume  0.11509E-01 ppm1      3.761 ppm2      1.892 CV     1
 ASSI {  979}
   (( segid "PAH2" and resid 19   and name HA  ))
   (  segid "PAH2" and resid 22   and name HD2%)
      2.300     0.600     0.600 peak   979 weight  0.10000E+01 volume  0.72249E-02 ppm1      3.761 ppm2      0.901 CV     1
 OR {  979}
   (( segid "PAH2" and resid 19   and name HA  ))
   (  segid "PAH2" and resid 22   and name HD1%)
 ASSI {  981}
   (( segid "PAH2" and resid 19   and name HB  ))
   (  segid "PAH2" and resid 19   and name HG2%)
      2.000     0.500     0.500 peak   981 weight  0.10000E+01 volume  0.13505E-01 ppm1      4.081 ppm2      1.164 CV     1
 ASSI {  983}
   (( segid "PAH2" and resid 19   and name HB  ))
   (( segid "PAH2" and resid 19   and name HN  ))
      2.300     0.600     0.600 peak   983 weight  0.10000E+01 volume  0.69735E-02 ppm1      4.081 ppm2      8.089 CV     1
 ASSI {  987}
   (  segid "PAH2" and resid 19   and name HG2%)
   (( segid "PAH2" and resid 19   and name HN  ))
      2.300     0.600     0.600 peak   987 weight  0.10000E+01 volume  0.70374E-02 ppm1      1.162 ppm2      8.076 CV     1
 ASSI {  988}
   (( segid "PAH2" and resid 20   and name HA  ))
   (( segid "PAH2" and resid 20   and name HD3 ))
      2.200     0.600     0.600 peak   988 weight  0.10000E+01 volume  0.79639E-02 ppm1      3.799 ppm2      3.010 CV     1
 OR {  988}
   (( segid "PAH2" and resid 20   and name HA  ))
   (( segid "PAH2" and resid 20   and name HD2 ))
 ASSI {  989}
   (( segid "PAH2" and resid 20   and name HA  ))
   (( segid "PAH2" and resid 20   and name HB3 ))
      2.600     0.800     0.800 peak   989 weight  0.10000E+01 volume  0.31500E-02 ppm1      3.799 ppm2      1.616 CV     1
 ASSI {  990}
   (( segid "PAH2" and resid 20   and name HA  ))
   (( segid "PAH2" and resid 20   and name HB2 ))
      2.500     0.800     0.800 peak   990 weight  0.10000E+01 volume  0.38605E-02 ppm1      3.799 ppm2      1.139 CV     1
 ASSI {  991}
   (( segid "PAH2" and resid 20   and name HA  ))
   (( segid "PAH2" and resid 20   and name HG2 ))
      3.000     1.100     1.100 peak   991 weight  0.10000E+01 volume  0.12844E-02 ppm1      3.799 ppm2      0.902 CV     1
 ASSI {  992}
   (( segid "PAH2" and resid 20   and name HA  ))
   (( segid "PAH2" and resid 20   and name HG3 ))
      2.900     1.100     1.100 peak   992 weight  0.10000E+01 volume  0.16020E-02 ppm1      3.799 ppm2      0.479 CV     1
 ASSI {  998}
   (( segid "PAH2" and resid 20   and name HB2 ))
   (( segid "PAH2" and resid 20   and name HG3 ))
      3.800     1.800     1.800 peak   998 weight  0.10000E+01 volume  0.30853E-03 ppm1      1.111 ppm2      0.487 CV     1
 ASSI {  999}
   (( segid "PAH2" and resid 20   and name HB3 ))
   (( segid "PAH2" and resid 20   and name HB2 ))
      2.600     0.800     0.800 peak   999 weight  0.10000E+01 volume  0.30981E-02 ppm1      1.612 ppm2      1.114 CV     1
 ASSI { 1000}
   (( segid "PAH2" and resid 20   and name HB3 ))
   (( segid "PAH2" and resid 20   and name HG3 ))
      3.400     1.500     1.500 peak  1000 weight  0.10000E+01 volume  0.58496E-03 ppm1      1.612 ppm2      0.487 CV     1
 ASSI { 1004}
   (( segid "PAH2" and resid 20   and name HG3 ))
   (( segid "PAH2" and resid 20   and name HG2 ))
      2.000     0.500     0.500 peak  1004 weight  0.10000E+01 volume  0.14180E-01 ppm1      0.477 ppm2      0.876 CV     1
 ASSI { 1005}
   (( segid "PAH2" and resid 21   and name HB3 ))
   (( segid "PAH2" and resid 21   and name HB2 ))
      2.300     0.600     0.600 peak  1005 weight  0.10000E+01 volume  0.69486E-02 ppm1      2.437 ppm2      3.926 CV     1
 ASSI { 1006}
   (( segid "PAH2" and resid 21   and name HB3 ))
   (  segid "PAH2" and resid 21   and name HD% )
      2.400     0.700     0.700 peak  1006 weight  0.10000E+01 volume  0.47797E-02 ppm1      2.441 ppm2      7.274 CV     1
 ASSI { 1008}
   (( segid "PAH2" and resid 21   and name HB2 ))
   (  segid "PAH2" and resid 21   and name HD% )
      2.500     0.800     0.800 peak  1008 weight  0.10000E+01 volume  0.40742E-02 ppm1      3.936 ppm2      7.280 CV     1
 ASSI { 1009}
   (( segid "PAH2" and resid 22   and name HA  ))
   (  segid "PAH2" and resid 22   and name HD2%)
      2.000     0.500     0.500 peak  1009 weight  0.10000E+01 volume  0.16524E-01 ppm1      4.022 ppm2      0.901 CV     1
 ASSI { 1015}
   (( segid "PAH2" and resid 40   and name HA  ))
   (( segid "PAH2" and resid 40   and name HN  ))
      2.400     0.700     0.700 peak  1015 weight  0.10000E+01 volume  0.46888E-02 ppm1      4.020 ppm2      8.187 CV     1
 ASSI { 1017}
   (( segid "PAH2" and resid 22   and name HB3 ))
   (  segid "PAH2" and resid 22   and name HD1%)
      2.100     0.600     0.600 peak  1017 weight  0.10000E+01 volume  0.10038E-01 ppm1      1.588 ppm2      0.901 CV     1
 ASSI { 1019}
   (( segid "PAH2" and resid 22   and name HB3 ))
   (( segid "PAH2" and resid 22   and name HA  ))
      2.400     0.700     0.700 peak  1019 weight  0.10000E+01 volume  0.56748E-02 ppm1      1.588 ppm2      4.024 CV     1
 ASSI { 1025}
   (( segid "PAH2" and resid 22   and name HB2 ))
   (( segid "PAH2" and resid 22   and name HA  ))
      2.300     0.700     0.700 peak  1025 weight  0.10000E+01 volume  0.57877E-02 ppm1      1.816 ppm2      4.016 CV     1
 ASSI { 1028}
   (( segid "PAH2" and resid 22   and name HG  ))
   (  segid "PAH2" and resid 22   and name HD2%)
      2.200     0.600     0.600 peak  1028 weight  0.10000E+01 volume  0.78785E-02 ppm1      1.922 ppm2      0.895 CV     1
 OR { 1028}
   (( segid "PAH2" and resid 22   and name HG  ))
   (  segid "PAH2" and resid 22   and name HD1%)
 ASSI { 1029}
   (( segid "PAH2" and resid 22   and name HB2 ))
   (  segid "PAH2" and resid 22   and name HD1%)
      2.100     0.500     0.500 peak  1029 weight  0.10000E+01 volume  0.11466E-01 ppm1      1.816 ppm2      0.901 CV     1
 OR { 1029}
   (( segid "PAH2" and resid 22   and name HB2 ))
   (  segid "PAH2" and resid 22   and name HD2%)
 ASSI { 1030}
   (( segid "PAH2" and resid 22   and name HG  ))
   (( segid "PAH2" and resid 22   and name HB3 ))
      2.800     1.000     1.000 peak  1030 weight  0.10000E+01 volume  0.21455E-02 ppm1      1.921 ppm2      1.591 CV     1
 ASSI { 1032}
   (( segid "PAH2" and resid 22   and name HG  ))
   (( segid "PAH2" and resid 22   and name HA  ))
      3.300     1.400     1.400 peak  1032 weight  0.10000E+01 volume  0.72036E-03 ppm1      1.921 ppm2      4.024 CV     1
 ASSI { 1033}
   (( segid "PAH2" and resid 22   and name HG  ))
   (( segid "PAH2" and resid 22   and name HN  ))
      2.700     0.900     0.900 peak  1033 weight  0.10000E+01 volume  0.27010E-02 ppm1      1.922 ppm2      7.241 CV     1
 ASSI { 1038}
   (( segid "PAH2" and resid 20   and name HG2 ))
   (( segid "PAH2" and resid 20   and name HB3 ))
      2.400     0.700     0.700 peak  1038 weight  0.10000E+01 volume  0.51775E-02 ppm1      0.868 ppm2      1.603 CV     1
 ASSI { 1039}
   (  segid "PAH2" and resid 22   and name HD2%)
   (( segid "PAH2" and resid 19   and name HA  ))
      2.500     0.800     0.800 peak  1039 weight  0.10000E+01 volume  0.35791E-02 ppm1      0.868 ppm2      3.774 CV     1
 ASSI { 1041}
   (( segid "PAH2" and resid 20   and name HG2 ))
   (  segid "PAH2" and resid 21   and name HD% )
      2.600     0.800     0.800 peak  1041 weight  0.10000E+01 volume  0.32459E-02 ppm1      0.868 ppm2      7.248 CV     1
 OR { 1041}
   (( segid "PAH2" and resid 20   and name HG2 ))
   (( segid "PAH2" and resid 21   and name HN  ))
 ASSI { 1042}
   (( segid "PAH2" and resid 23   and name HA  ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      4.000     2.000     2.000 peak  1042 weight  0.10000E+01 volume  0.23337E-03 ppm1      4.557 ppm2      3.736 CV     1
 ASSI { 1043}
   (( segid "PAH2" and resid 23   and name HA  ))
   (( segid "PAH2" and resid 25   and name HD3 ))
      3.400     1.400     1.400 peak  1043 weight  0.10000E+01 volume  0.63028E-03 ppm1      4.557 ppm2      3.535 CV     1
 ASSI { 1044}
   (( segid "PAH2" and resid 23   and name HA  ))
   (( segid "PAH2" and resid 23   and name HB2 ))
      1.900     0.400     0.400 peak  1044 weight  0.10000E+01 volume  0.20922E-01 ppm1      4.557 ppm2      2.569 CV     1
 OR { 1044}
   (( segid "PAH2" and resid 23   and name HA  ))
   (( segid "PAH2" and resid 23   and name HB3 ))
 ASSI { 1047}
   (( segid "PAH2" and resid 23   and name HB3 ))
   (( segid "PAH2" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak  1047 weight  0.10000E+01 volume  0.58702E-02 ppm1      2.541 ppm2      4.551 CV     1
 ASSI { 1049}
   (( segid "PAH2" and resid 23   and name HB2 ))
   (( segid "PAH2" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak  1049 weight  0.10000E+01 volume  0.59775E-02 ppm1      2.576 ppm2      4.551 CV     1
 ASSI { 1051}
   (( segid "PAH2" and resid 23   and name HB2 ))
   (( segid "PAH2" and resid 23   and name HN  ))
      2.700     0.900     0.900 peak  1051 weight  0.10000E+01 volume  0.27010E-02 ppm1      2.576 ppm2      8.684 CV     1
 ASSI { 1052}
   (( segid "PAH2" and resid 23   and name HB3 ))
   (( segid "PAH2" and resid 23   and name HN  ))
      2.700     0.900     0.900 peak  1052 weight  0.10000E+01 volume  0.23337E-02 ppm1      2.541 ppm2      8.684 CV     1
 ASSI { 1056}
   (( segid "PAH2" and resid 24   and name HA  ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      2.100     0.600     0.600 peak  1056 weight  0.10000E+01 volume  0.10628E-01 ppm1      5.202 ppm2      3.732 CV     1
 ASSI { 1058}
   (( segid "PAH2" and resid 24   and name HA  ))
   (( segid "PAH2" and resid 24   and name HB2 ))
      2.800     1.000     1.000 peak  1058 weight  0.10000E+01 volume  0.18443E-02 ppm1      5.202 ppm2      3.008 CV     1
 ASSI { 1061}
   (( segid "PAH2" and resid 24   and name HA  ))
   (  segid "PAH2" and resid 27   and name HD1%)
      3.300     1.400     1.400 peak  1061 weight  0.10000E+01 volume  0.72179E-03 ppm1      5.202 ppm2      0.763 CV     1
 ASSI { 1062}
   (( segid "PAH2" and resid 24   and name HB2 ))
   (( segid "PAH2" and resid 24   and name HB3 ))
      2.100     0.500     0.500 peak  1062 weight  0.10000E+01 volume  0.11857E-01 ppm1      2.993 ppm2      3.447 CV     1
 ASSI { 1069}
   (( segid "PAH2" and resid 24   and name HB3 ))
   (( segid "PAH2" and resid 27   and name HG13))
      3.400     1.400     1.400 peak  1069 weight  0.10000E+01 volume  0.65629E-03 ppm1      3.442 ppm2      1.528 CV     1
 ASSI { 1070}
   (( segid "PAH2" and resid 24   and name HB3 ))
   (( segid "PAH2" and resid 24   and name HA  ))
      2.800     1.000     1.000 peak  1070 weight  0.10000E+01 volume  0.18080E-02 ppm1      3.442 ppm2      5.204 CV     1
 ASSI { 1073}
   (( segid "PAH2" and resid 25   and name HA  ))
   (( segid "PAH2" and resid 25   and name HB3 ))
      2.100     0.500     0.500 peak  1073 weight  0.10000E+01 volume  0.12013E-01 ppm1      4.462 ppm2      2.206 CV     1
 ASSI { 1074}
   (( segid "PAH2" and resid 25   and name HA  ))
   (( segid "PAH2" and resid 25   and name HB2 ))
      2.100     0.500     0.500 peak  1074 weight  0.10000E+01 volume  0.12361E-01 ppm1      4.462 ppm2      2.456 CV     1
 ASSI { 1077}
   (( segid "PAH2" and resid 25   and name HA  ))
   (( segid "PAH2" and resid 25   and name HD3 ))
      3.900     1.900     1.900 peak  1077 weight  0.10000E+01 volume  0.26307E-03 ppm1      4.462 ppm2      3.529 CV     1
 ASSI { 1078}
   (( segid "PAH2" and resid 25   and name HA  ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      4.100     2.100     1.900 peak  1078 weight  0.10000E+01 volume  0.21227E-03 ppm1      4.462 ppm2      3.732 CV     1
 ASSI { 1079}
   (( segid "PAH2" and resid 25   and name HA  ))
   (( segid "PAH2" and resid 28   and name HN  ))
      3.000     1.100     1.100 peak  1079 weight  0.10000E+01 volume  0.14187E-02 ppm1      4.463 ppm2      6.735 CV     1
 ASSI { 1080}
   (( segid "PAH2" and resid 25   and name HA  ))
   (( segid "PAH2" and resid 27   and name HN  ))
      3.100     1.200     1.200 peak  1080 weight  0.10000E+01 volume  0.10805E-02 ppm1      4.462 ppm2      8.250 CV     1
 ASSI { 1088}
   (( segid "PAH2" and resid 25   and name HB3 ))
   (( segid "PAH2" and resid 25   and name HD3 ))
      3.200     1.300     1.300 peak  1088 weight  0.10000E+01 volume  0.82692E-03 ppm1      2.210 ppm2      3.529 CV     1
 ASSI { 1091}
   (( segid "PAH2" and resid 25   and name HB3 ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      3.300     1.400     1.400 peak  1091 weight  0.10000E+01 volume  0.74594E-03 ppm1      2.210 ppm2      3.732 CV     1
 ASSI { 1095}
   (( segid "PAH2" and resid 25   and name HB2 ))
   (( segid "PAH2" and resid 25   and name HB3 ))
      1.900     0.400     0.400 peak  1095 weight  0.10000E+01 volume  0.21355E-01 ppm1      2.447 ppm2      2.193 CV     1
 ASSI { 1098}
   (( segid "PAH2" and resid 25   and name HB2 ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      4.200     2.200     1.800 peak  1098 weight  0.10000E+01 volume  0.18692E-03 ppm1      2.447 ppm2      3.732 CV     1
 ASSI { 1102}
   (( segid "PAH2" and resid 25   and name HG2 ))
   (( segid "PAH2" and resid 25   and name HD3 ))
      2.800     1.000     1.000 peak  1102 weight  0.10000E+01 volume  0.18947E-02 ppm1      2.114 ppm2      3.529 CV     1
 ASSI { 1103}
   (( segid "PAH2" and resid 25   and name HG3 ))
   (( segid "PAH2" and resid 25   and name HD3 ))
      2.600     0.800     0.800 peak  1103 weight  0.10000E+01 volume  0.33923E-02 ppm1      2.174 ppm2      3.529 CV     1
 ASSI { 1104}
   (( segid "PAH2" and resid 25   and name HD3 ))
   (( segid "PAH2" and resid 25   and name HG3 ))
      2.100     0.500     0.500 peak  1104 weight  0.10000E+01 volume  0.11921E-01 ppm1      3.529 ppm2      2.168 CV     1
 OR { 1104}
   (( segid "PAH2" and resid 25   and name HD3 ))
   (( segid "PAH2" and resid 25   and name HG2 ))
 ASSI { 1105}
   (( segid "PAH2" and resid 25   and name HD3 ))
   (( segid "PAH2" and resid 25   and name HB2 ))
      3.000     1.100     1.100 peak  1105 weight  0.10000E+01 volume  0.13619E-02 ppm1      3.529 ppm2      2.444 CV     1
 ASSI { 1106}
   (( segid "PAH2" and resid 25   and name HD3 ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      1.800     0.400     0.400 peak  1106 weight  0.10000E+01 volume  0.24069E-01 ppm1      3.529 ppm2      3.732 CV     1
 ASSI { 1109}
   (( segid "PAH2" and resid 25   and name HD3 ))
   (( segid "PAH2" and resid 24   and name HA  ))
      2.500     0.800     0.800 peak  1109 weight  0.10000E+01 volume  0.43478E-02 ppm1      3.529 ppm2      5.216 CV     1
 ASSI { 1110}
   (( segid "PAH2" and resid 25   and name HD3 ))
   (( segid "PAH2" and resid 24   and name HN  ))
      2.900     1.000     1.000 peak  1110 weight  0.10000E+01 volume  0.16724E-02 ppm1      3.529 ppm2      7.726 CV     1
 ASSI { 1117}
   (( segid "PAH2" and resid 25   and name HG3 ))
   (( segid "PAH2" and resid 26   and name HN  ))
      3.600     1.600     1.600 peak  1117 weight  0.10000E+01 volume  0.45588E-03 ppm1      2.178 ppm2     10.313 CV     1
 ASSI { 1122}
   (( segid "PAH2" and resid 26   and name HB3 ))
   (( segid "PAH2" and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1122 weight  0.10000E+01 volume  0.25846E-02 ppm1      2.044 ppm2      4.238 CV     1
 ASSI { 1123}
   (( segid "PAH2" and resid 26   and name HB3 ))
   (( segid "PAH2" and resid 26   and name HN  ))
      3.100     1.200     1.200 peak  1123 weight  0.10000E+01 volume  0.10983E-02 ppm1      2.044 ppm2     10.321 CV     1
 ASSI { 1124}
   (( segid "PAH2" and resid 26   and name HB2 ))
   (( segid "PAH2" and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1124 weight  0.10000E+01 volume  0.24403E-02 ppm1      2.184 ppm2      4.225 CV     1
 ASSI { 1125}
   (( segid "PAH2" and resid 26   and name HB2 ))
   (( segid "PAH2" and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1125 weight  0.10000E+01 volume  0.24374E-02 ppm1      2.184 ppm2     10.321 CV     1
 ASSI { 1126}
   (( segid "PAH2" and resid 26   and name HG3 ))
   (( segid "PAH2" and resid 26   and name HA  ))
      3.100     1.200     1.200 peak  1126 weight  0.10000E+01 volume  0.11281E-02 ppm1      2.336 ppm2      4.213 CV     1
 ASSI { 1128}
   (( segid "PAH2" and resid 26   and name HG2 ))
   (( segid "PAH2" and resid 26   and name HG3 ))
      2.000     0.500     0.500 peak  1128 weight  0.10000E+01 volume  0.17363E-01 ppm1      2.554 ppm2      2.344 CV     1
 ASSI { 1129}
   (( segid "PAH2" and resid 26   and name HG2 ))
   (( segid "PAH2" and resid 26   and name HB3 ))
      2.300     0.600     0.600 peak  1129 weight  0.10000E+01 volume  0.69166E-02 ppm1      2.554 ppm2      2.055 CV     1
 ASSI { 1133}
   (( segid "PAH2" and resid 27   and name HA  ))
   (( segid "PAH2" and resid 27   and name HB  ))
      2.400     0.700     0.700 peak  1133 weight  0.10000E+01 volume  0.50397E-02 ppm1      3.674 ppm2      1.541 CV     1
 OR { 1133}
   (( segid "PAH2" and resid 27   and name HA  ))
   (( segid "PAH2" and resid 27   and name HG13))
 ASSI { 1134}
   (( segid "PAH2" and resid 27   and name HA  ))
   (( segid "PAH2" and resid 27   and name HG12))
      2.600     0.900     0.900 peak  1134 weight  0.10000E+01 volume  0.30320E-02 ppm1      3.674 ppm2      1.164 CV     1
 ASSI { 1135}
   (( segid "PAH2" and resid 27   and name HA  ))
   (  segid "PAH2" and resid 27   and name HD1%)
      2.200     0.600     0.600 peak  1135 weight  0.10000E+01 volume  0.90295E-02 ppm1      3.674 ppm2      0.776 CV     1
 ASSI { 1136}
   (( segid "PAH2" and resid 27   and name HA  ))
   (  segid "PAH2" and resid 27   and name HG2%)
      2.300     0.700     0.700 peak  1136 weight  0.10000E+01 volume  0.61145E-02 ppm1      3.674 ppm2     -0.018 CV     1
 ASSI { 1138}
   (( segid "PAH2" and resid 27   and name HA  ))
   (( segid "PAH2" and resid 28   and name HN  ))
      3.500     1.600     1.600 peak  1138 weight  0.10000E+01 volume  0.50390E-03 ppm1      3.674 ppm2      6.721 CV     1
 ASSI { 1140}
   (( segid "PAH2" and resid 27   and name HB  ))
   (( segid "PAH2" and resid 27   and name HG12))
      3.400     1.400     1.400 peak  1140 weight  0.10000E+01 volume  0.63071E-03 ppm1      1.510 ppm2      1.147 CV     1
 ASSI { 1141}
   (( segid "PAH2" and resid 27   and name HB  ))
   (  segid "PAH2" and resid 27   and name HD1%)
      3.100     1.200     1.200 peak  1141 weight  0.10000E+01 volume  0.10159E-02 ppm1      1.511 ppm2      0.745 CV     1
 ASSI { 1142}
   (( segid "PAH2" and resid 27   and name HB  ))
   (  segid "PAH2" and resid 27   and name HG2%)
      2.600     0.800     0.800 peak  1142 weight  0.10000E+01 volume  0.34178E-02 ppm1      1.512 ppm2     -0.018 CV     1
 ASSI { 1143}
   (( segid "PAH2" and resid 27   and name HB  ))
   (( segid "PAH2" and resid 27   and name HA  ))
      4.600     2.600     1.400 peak  1143 weight  0.10000E+01 volume  0.10294E-03 ppm1      1.513 ppm2      3.686 CV     1
 ASSI { 1146}
   (  segid "PAH2" and resid 27   and name HG2%)
   (  segid "PAH2" and resid 27   and name HD1%)
      1.900     0.400     0.400 peak  1146 weight  0.10000E+01 volume  0.23643E-01 ppm1     -0.023 ppm2      0.763 CV     1
 ASSI { 1147}
   (  segid "PAH2" and resid 27   and name HG2%)
   (( segid "PAH2" and resid 27   and name HG12))
      2.600     0.800     0.800 peak  1147 weight  0.10000E+01 volume  0.34590E-02 ppm1     -0.023 ppm2      1.152 CV     1
 ASSI { 1148}
   (  segid "PAH2" and resid 27   and name HG2%)
   (( segid "PAH2" and resid 27   and name HB  ))
      1.900     0.400     0.400 peak  1148 weight  0.10000E+01 volume  0.21114E-01 ppm1     -0.023 ppm2      1.528 CV     1
 OR { 1148}
   (  segid "PAH2" and resid 27   and name HG2%)
   (( segid "PAH2" and resid 27   and name HG13))
 ASSI { 1152}
   (  segid "PAH2" and resid 27   and name HG2%)
   (  segid "PAH2" and resid 66   and name HE% )
      2.200     0.600     0.600 peak  1152 weight  0.10000E+01 volume  0.88589E-02 ppm1     -0.020 ppm2      6.690 CV     1
 ASSI { 1153}
   (  segid "PAH2" and resid 27   and name HG2%)
   (  segid "PAH2" and resid 21   and name HE% )
      2.400     0.700     0.700 peak  1153 weight  0.10000E+01 volume  0.51918E-02 ppm1     -0.020 ppm2      6.862 CV     1
 ASSI { 1154}
   (  segid "PAH2" and resid 27   and name HG2%)
   (  segid "PAH2" and resid 21   and name HD% )
      2.800     1.000     1.000 peak  1154 weight  0.10000E+01 volume  0.19991E-02 ppm1     -0.020 ppm2      7.299 CV     1
 ASSI { 1156}
   (( segid "PAH2" and resid 27   and name HG12))
   (( segid "PAH2" and resid 27   and name HG13))
      2.000     0.500     0.500 peak  1156 weight  0.10000E+01 volume  0.16042E-01 ppm1      1.150 ppm2      1.541 CV     1
 ASSI { 1158}
   (( segid "PAH2" and resid 27   and name HG12))
   (  segid "PAH2" and resid 27   and name HD1%)
      2.300     0.700     0.700 peak  1158 weight  0.10000E+01 volume  0.57217E-02 ppm1      1.150 ppm2      0.751 CV     1
 ASSI { 1161}
   (( segid "PAH2" and resid 27   and name HG13))
   (  segid "PAH2" and resid 27   and name HG2%)
      2.900     1.000     1.000 peak  1161 weight  0.10000E+01 volume  0.17561E-02 ppm1      1.547 ppm2     -0.015 CV     1
 ASSI { 1163}
   (( segid "PAH2" and resid 27   and name HG13))
   (( segid "PAH2" and resid 27   and name HA  ))
      3.100     1.200     1.200 peak  1163 weight  0.10000E+01 volume  0.11587E-02 ppm1      1.547 ppm2      3.686 CV     1
 ASSI { 1167}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 27   and name HG13))
      2.000     0.500     0.500 peak  1167 weight  0.10000E+01 volume  0.14350E-01 ppm1      0.739 ppm2      1.553 CV     1
 ASSI { 1168}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 24   and name HB2 ))
      2.600     0.800     0.800 peak  1168 weight  0.10000E+01 volume  0.33162E-02 ppm1      0.739 ppm2      3.001 CV     1
 ASSI { 1169}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 24   and name HB3 ))
      2.600     0.800     0.800 peak  1169 weight  0.10000E+01 volume  0.31123E-02 ppm1      0.739 ppm2      3.447 CV     1
 ASSI { 1171}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 65   and name HA  ))
      3.500     1.600     1.600 peak  1171 weight  0.10000E+01 volume  0.48109E-03 ppm1      0.739 ppm2      4.049 CV     1
 ASSI { 1173}
   (  segid "PAH2" and resid 27   and name HD1%)
   (  segid "PAH2" and resid 21   and name HE% )
      2.400     0.700     0.700 peak  1173 weight  0.10000E+01 volume  0.52528E-02 ppm1      0.739 ppm2      6.873 CV     1
 ASSI { 1174}
   (  segid "PAH2" and resid 27   and name HD1%)
   (  segid "PAH2" and resid 21   and name HD% )
      2.400     0.700     0.700 peak  1174 weight  0.10000E+01 volume  0.47293E-02 ppm1      0.739 ppm2      7.298 CV     1
 ASSI { 1175}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  1175 weight  0.10000E+01 volume  0.25035E-02 ppm1      0.739 ppm2      8.217 CV     1
 ASSI { 1176}
   (( segid "PAH2" and resid 28   and name HA  ))
   (( segid "PAH2" and resid 31   and name HB3 ))
      3.000     1.100     1.100 peak  1176 weight  0.10000E+01 volume  0.14173E-02 ppm1      4.206 ppm2      3.498 CV     1
 ASSI { 1177}
   (( segid "PAH2" and resid 28   and name HA  ))
   (( segid "PAH2" and resid 28   and name HB3 ))
      2.400     0.700     0.700 peak  1177 weight  0.10000E+01 volume  0.53736E-02 ppm1      4.206 ppm2      3.247 CV     1
 ASSI { 1178}
   (( segid "PAH2" and resid 28   and name HA  ))
   (( segid "PAH2" and resid 28   and name HB2 ))
      2.300     0.600     0.600 peak  1178 weight  0.10000E+01 volume  0.69650E-02 ppm1      4.206 ppm2      3.121 CV     1
 ASSI { 1179}
   (( segid "PAH2" and resid 28   and name HA  ))
   (  segid "PAH2" and resid 17   and name HG2%)
      2.700     0.900     0.900 peak  1179 weight  0.10000E+01 volume  0.27514E-02 ppm1      4.206 ppm2      0.808 CV     1
 ASSI { 1180}
   (( segid "PAH2" and resid 28   and name HA  ))
   (( segid "PAH2" and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  1180 weight  0.10000E+01 volume  0.43143E-02 ppm1      4.206 ppm2      6.734 CV     1
 ASSI { 1181}
   (( segid "PAH2" and resid 28   and name HA  ))
   (  segid "PAH2" and resid 28   and name HD% )
      2.300     0.700     0.700 peak  1181 weight  0.10000E+01 volume  0.65018E-02 ppm1      4.207 ppm2      7.044 CV     1
 ASSI { 1182}
   (( segid "PAH2" and resid 28   and name HA  ))
   (( segid "PAH2" and resid 31   and name HN  ))
      3.400     1.500     1.500 peak  1182 weight  0.10000E+01 volume  0.60158E-03 ppm1      4.209 ppm2      8.134 CV     1
 ASSI { 1190}
   (( segid "PAH2" and resid 28   and name HB3 ))
   (( segid "PAH2" and resid 29   and name HN  ))
      2.800     0.900     0.900 peak  1190 weight  0.10000E+01 volume  0.22108E-02 ppm1      3.268 ppm2      8.339 CV     1
 ASSI { 1191}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 29   and name HD2 ))
      2.600     0.900     0.900 peak  1191 weight  0.10000E+01 volume  0.30179E-02 ppm1      3.758 ppm2      3.212 CV     1
 OR { 1191}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 29   and name HD3 ))
 ASSI { 1192}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 29   and name HB3 ))
      2.000     0.500     0.500 peak  1192 weight  0.10000E+01 volume  0.14904E-01 ppm1      3.758 ppm2      1.911 CV     1
 OR { 1192}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 29   and name HB2 ))
 ASSI { 1193}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 29   and name HG3 ))
      2.300     0.700     0.700 peak  1193 weight  0.10000E+01 volume  0.62694E-02 ppm1      3.758 ppm2      1.699 CV     1
 ASSI { 1194}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 32   and name HG  ))
      3.300     1.400     1.400 peak  1194 weight  0.10000E+01 volume  0.70943E-03 ppm1      3.758 ppm2      1.415 CV     1
 ASSI { 1195}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 32   and name HB3 ))
      3.300     1.400     1.400 peak  1195 weight  0.10000E+01 volume  0.68797E-03 ppm1      3.758 ppm2      1.152 CV     1
 ASSI { 1196}
   (( segid "PAH2" and resid 29   and name HA  ))
   (  segid "PAH2" and resid 32   and name HD1%)
      2.500     0.800     0.800 peak  1196 weight  0.10000E+01 volume  0.43357E-02 ppm1      3.758 ppm2      0.625 CV     1
 ASSI { 1199}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 32   and name HN  ))
      3.200     1.300     1.300 peak  1199 weight  0.10000E+01 volume  0.83120E-03 ppm1      3.758 ppm2      7.647 CV     1
 ASSI { 1200}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 29   and name HN  ))
      2.500     0.800     0.800 peak  1200 weight  0.10000E+01 volume  0.41211E-02 ppm1      3.758 ppm2      8.305 CV     1
 ASSI { 1201}
   (( segid "PAH2" and resid 29   and name HB2 ))
   (( segid "PAH2" and resid 29   and name HD3 ))
      2.900     1.100     1.100 peak  1201 weight  0.10000E+01 volume  0.14777E-02 ppm1      1.894 ppm2      3.212 CV     1
 OR { 1201}
   (( segid "PAH2" and resid 29   and name HB2 ))
   (( segid "PAH2" and resid 29   and name HD2 ))
 ASSI { 1202}
   (( segid "PAH2" and resid 29   and name HB2 ))
   (( segid "PAH2" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1202 weight  0.10000E+01 volume  0.27195E-02 ppm1      1.894 ppm2      3.758 CV     1
 ASSI { 1204}
   (( segid "PAH2" and resid 29   and name HB3 ))
   (( segid "PAH2" and resid 29   and name HD2 ))
      2.800     1.000     1.000 peak  1204 weight  0.10000E+01 volume  0.21426E-02 ppm1      1.956 ppm2      3.212 CV     1
 OR { 1204}
   (( segid "PAH2" and resid 29   and name HB3 ))
   (( segid "PAH2" and resid 29   and name HD3 ))
 ASSI { 1207}
   (( segid "PAH2" and resid 29   and name HG3 ))
   (( segid "PAH2" and resid 29   and name HG2 ))
      1.800     0.400     0.400 peak  1207 weight  0.10000E+01 volume  0.31600E-01 ppm1      1.675 ppm2      1.892 CV     1
 ASSI { 1208}
   (( segid "PAH2" and resid 29   and name HG3 ))
   (( segid "PAH2" and resid 29   and name HD2 ))
      2.200     0.600     0.600 peak  1208 weight  0.10000E+01 volume  0.80632E-02 ppm1      1.675 ppm2      3.212 CV     1
 OR { 1208}
   (( segid "PAH2" and resid 29   and name HG3 ))
   (( segid "PAH2" and resid 29   and name HD3 ))
 ASSI { 1210}
   (( segid "PAH2" and resid 29   and name HG3 ))
   (( segid "PAH2" and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  1210 weight  0.10000E+01 volume  0.19714E-02 ppm1      1.675 ppm2      8.314 CV     1
 ASSI { 1212}
   (( segid "PAH2" and resid 29   and name HG2 ))
   (( segid "PAH2" and resid 29   and name HD3 ))
      2.500     0.800     0.800 peak  1212 weight  0.10000E+01 volume  0.35578E-02 ppm1      1.888 ppm2      3.212 CV     1
 OR { 1212}
   (( segid "PAH2" and resid 29   and name HG2 ))
   (( segid "PAH2" and resid 29   and name HD2 ))
 ASSI { 1216}
   (( segid "PAH2" and resid 29   and name HD2 ))
   (( segid "PAH2" and resid 29   and name HG3 ))
      2.400     0.700     0.700 peak  1216 weight  0.10000E+01 volume  0.51151E-02 ppm1      3.172 ppm2      1.679 CV     1
 ASSI { 1217}
   (( segid "PAH2" and resid 29   and name HD2 ))
   (( segid "PAH2" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1217 weight  0.10000E+01 volume  0.19721E-02 ppm1      3.172 ppm2      3.758 CV     1
 ASSI { 1219}
   (( segid "PAH2" and resid 29   and name HD3 ))
   (( segid "PAH2" and resid 29   and name HG2 ))
      2.300     0.600     0.600 peak  1219 weight  0.10000E+01 volume  0.73529E-02 ppm1      3.239 ppm2      1.905 CV     1
 OR { 1219}
   (( segid "PAH2" and resid 29   and name HD2 ))
   (( segid "PAH2" and resid 29   and name HG2 ))
 OR { 1219}
   (( segid "PAH2" and resid 29   and name HD2 ))
   (( segid "PAH2" and resid 29   and name HB3 ))
 OR { 1219}
   (( segid "PAH2" and resid 29   and name HD3 ))
   (( segid "PAH2" and resid 29   and name HB3 ))
 ASSI { 1220}
   (( segid "PAH2" and resid 29   and name HD3 ))
   (( segid "PAH2" and resid 29   and name HG3 ))
      2.500     0.800     0.800 peak  1220 weight  0.10000E+01 volume  0.39428E-02 ppm1      3.239 ppm2      1.672 CV     1
 ASSI { 1221}
   (( segid "PAH2" and resid 29   and name HD3 ))
   (( segid "PAH2" and resid 29   and name HA  ))
      2.900     1.100     1.100 peak  1221 weight  0.10000E+01 volume  0.14634E-02 ppm1      3.239 ppm2      3.758 CV     1
 ASSI { 1223}
   (( segid "PAH2" and resid 30   and name HA  ))
   (  segid "PAH2" and resid 65   and name HD1%)
      3.400     1.400     1.400 peak  1223 weight  0.10000E+01 volume  0.65636E-03 ppm1      4.181 ppm2      0.788 CV     1
 OR { 1223}
   (( segid "PAH2" and resid 30   and name HA  ))
   (  segid "PAH2" and resid 65   and name HD2%)
 ASSI { 1225}
   (( segid "PAH2" and resid 30   and name HA  ))
   (( segid "PAH2" and resid 30   and name HB2 ))
      2.300     0.700     0.700 peak  1225 weight  0.10000E+01 volume  0.62865E-02 ppm1      4.181 ppm2      3.899 CV     1
 OR { 1225}
   (( segid "PAH2" and resid 30   and name HA  ))
   (( segid "PAH2" and resid 30   and name HB3 ))
 ASSI { 1226}
   (( segid "PAH2" and resid 30   and name HA  ))
   (( segid "PAH2" and resid 31   and name HN  ))
      2.900     1.100     1.100 peak  1226 weight  0.10000E+01 volume  0.14947E-02 ppm1      4.181 ppm2      8.101 CV     1
 ASSI { 1229}
   (( segid "PAH2" and resid 30   and name HB3 ))
   (  segid "PAH2" and resid 65   and name HD1%)
      2.400     0.700     0.700 peak  1229 weight  0.10000E+01 volume  0.50135E-02 ppm1      3.889 ppm2      0.807 CV     1
 OR { 1229}
   (( segid "PAH2" and resid 30   and name HB2 ))
   (  segid "PAH2" and resid 65   and name HD1%)
 OR { 1229}
   (( segid "PAH2" and resid 30   and name HB3 ))
   (  segid "PAH2" and resid 65   and name HD2%)
 ASSI { 1231}
   (( segid "PAH2" and resid 30   and name HB3 ))
   (( segid "PAH2" and resid 31   and name HN  ))
      3.400     1.400     1.400 peak  1231 weight  0.10000E+01 volume  0.62958E-03 ppm1      3.890 ppm2      8.101 CV     1
 OR { 1231}
   (( segid "PAH2" and resid 30   and name HB2 ))
   (( segid "PAH2" and resid 31   and name HN  ))
 ASSI { 1232}
   (( segid "PAH2" and resid 31   and name HA  ))
   (  segid "PAH2" and resid 31   and name HD% )
      2.400     0.700     0.700 peak  1232 weight  0.10000E+01 volume  0.47008E-02 ppm1      3.880 ppm2      6.842 CV     1
 ASSI { 1233}
   (( segid "PAH2" and resid 31   and name HA  ))
   (( segid "PAH2" and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  1233 weight  0.10000E+01 volume  0.35897E-02 ppm1      3.880 ppm2      8.126 CV     1
 ASSI { 1235}
   (( segid "PAH2" and resid 31   and name HA  ))
   (( segid "PAH2" and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak  1235 weight  0.10000E+01 volume  0.37120E-02 ppm1      3.880 ppm2      3.028 CV     1
 ASSI { 1236}
   (( segid "PAH2" and resid 31   and name HA  ))
   (  segid "PAH2" and resid 65   and name HD1%)
      2.000     0.500     0.500 peak  1236 weight  0.10000E+01 volume  0.15850E-01 ppm1      3.880 ppm2      0.773 CV     1
 ASSI { 1237}
   (( segid "PAH2" and resid 31   and name HB2 ))
   (  segid "PAH2" and resid 65   and name HD1%)
      2.700     0.900     0.900 peak  1237 weight  0.10000E+01 volume  0.25504E-02 ppm1      3.028 ppm2      0.788 CV     1
 ASSI { 1238}
   (( segid "PAH2" and resid 31   and name HB2 ))
   (( segid "PAH2" and resid 31   and name HB3 ))
      2.500     0.800     0.800 peak  1238 weight  0.10000E+01 volume  0.41645E-02 ppm1      3.028 ppm2      3.495 CV     1
 ASSI { 1240}
   (( segid "PAH2" and resid 31   and name HB2 ))
   (  segid "PAH2" and resid 31   and name HD% )
      2.700     0.900     0.900 peak  1240 weight  0.10000E+01 volume  0.24779E-02 ppm1      3.028 ppm2      6.856 CV     1
 ASSI { 1246}
   (( segid "PAH2" and resid 31   and name HB3 ))
   (  segid "PAH2" and resid 31   and name HD% )
      2.600     0.800     0.800 peak  1246 weight  0.10000E+01 volume  0.34072E-02 ppm1      3.499 ppm2      6.847 CV     1
 ASSI { 1249}
   (( segid "PAH2" and resid 32   and name HA  ))
   (( segid "PAH2" and resid 32   and name HN  ))
      3.000     1.100     1.100 peak  1249 weight  0.10000E+01 volume  0.12716E-02 ppm1      3.455 ppm2      7.662 CV     1
 ASSI { 1251}
   (( segid "PAH2" and resid 32   and name HA  ))
   (( segid "PAH2" and resid 32   and name HB2 ))
      2.400     0.700     0.700 peak  1251 weight  0.10000E+01 volume  0.52664E-02 ppm1      3.455 ppm2      1.767 CV     1
 ASSI { 1252}
   (( segid "PAH2" and resid 32   and name HA  ))
   (( segid "PAH2" and resid 32   and name HG  ))
      2.600     0.900     0.900 peak  1252 weight  0.10000E+01 volume  0.29887E-02 ppm1      3.455 ppm2      1.390 CV     1
 ASSI { 1253}
   (( segid "PAH2" and resid 32   and name HA  ))
   (( segid "PAH2" and resid 32   and name HB3 ))
      2.300     0.700     0.700 peak  1253 weight  0.10000E+01 volume  0.59675E-02 ppm1      3.455 ppm2      1.154 CV     1
 ASSI { 1254}
   (( segid "PAH2" and resid 32   and name HA  ))
   (  segid "PAH2" and resid 32   and name HD2%)
      2.000     0.500     0.500 peak  1254 weight  0.10000E+01 volume  0.15714E-01 ppm1      3.455 ppm2      0.625 CV     1
 ASSI { 1255}
   (( segid "PAH2" and resid 32   and name HA  ))
   (  segid "PAH2" and resid 35   and name HD1%)
      2.600     0.800     0.800 peak  1255 weight  0.10000E+01 volume  0.33980E-02 ppm1      3.455 ppm2      0.462 CV     1
 ASSI { 1256}
   (( segid "PAH2" and resid 32   and name HB3 ))
   (  segid "PAH2" and resid 32   and name HD1%)
      2.300     0.700     0.700 peak  1256 weight  0.10000E+01 volume  0.58098E-02 ppm1      1.154 ppm2      0.625 CV     1
 ASSI { 1262}
   (( segid "PAH2" and resid 32   and name HB2 ))
   (( segid "PAH2" and resid 32   and name HG  ))
      2.900     1.100     1.100 peak  1262 weight  0.10000E+01 volume  0.14791E-02 ppm1      1.766 ppm2      1.403 CV     1
 ASSI { 1263}
   (( segid "PAH2" and resid 32   and name HB2 ))
   (( segid "PAH2" and resid 32   and name HB3 ))
      2.200     0.600     0.600 peak  1263 weight  0.10000E+01 volume  0.80065E-02 ppm1      1.766 ppm2      1.154 CV     1
 ASSI { 1264}
   (( segid "PAH2" and resid 32   and name HB2 ))
   (  segid "PAH2" and resid 32   and name HD1%)
      2.300     0.700     0.700 peak  1264 weight  0.10000E+01 volume  0.64520E-02 ppm1      1.766 ppm2      0.625 CV     1
 OR { 1264}
   (( segid "PAH2" and resid 32   and name HB2 ))
   (  segid "PAH2" and resid 32   and name HD2%)
 ASSI { 1268}
   (( segid "PAH2" and resid 32   and name HG  ))
   (  segid "PAH2" and resid 32   and name HD2%)
      2.100     0.500     0.500 peak  1268 weight  0.10000E+01 volume  0.12220E-01 ppm1      1.395 ppm2      0.625 CV     1
 OR { 1268}
   (( segid "PAH2" and resid 32   and name HG  ))
   (  segid "PAH2" and resid 32   and name HD1%)
 ASSI { 1269}
   (( segid "PAH2" and resid 32   and name HG  ))
   (( segid "PAH2" and resid 32   and name HB3 ))
      2.900     1.100     1.100 peak  1269 weight  0.10000E+01 volume  0.15296E-02 ppm1      1.395 ppm2      1.154 CV     1
 ASSI { 1273}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "PAH2" and resid 32   and name HB3 ))
      2.100     0.500     0.500 peak  1273 weight  0.10000E+01 volume  0.11509E-01 ppm1      0.612 ppm2      1.154 CV     1
 ASSI { 1274}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "PAH2" and resid 32   and name HG  ))
      2.200     0.600     0.600 peak  1274 weight  0.10000E+01 volume  0.88235E-02 ppm1      0.612 ppm2      1.403 CV     1
 ASSI { 1275}
   (  segid "PAH2" and resid 32   and name HD2%)
   (  segid "MAD1" and resid 209  and name HB% )
      2.100     0.600     0.600 peak  1275 weight  0.10000E+01 volume  0.10528E-01 ppm1      0.612 ppm2      1.666 CV     1
 ASSI { 1276}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "PAH2" and resid 32   and name HB2 ))
      2.400     0.700     0.700 peak  1276 weight  0.10000E+01 volume  0.54162E-02 ppm1      0.612 ppm2      1.779 CV     1
 ASSI { 1278}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "MAD1" and resid 206  and name HA  ))
      3.300     1.400     1.400 peak  1278 weight  0.10000E+01 volume  0.69053E-03 ppm1      0.612 ppm2      3.962 CV     1
 ASSI { 1280}
   (  segid "PAH2" and resid 32   and name HD2%)
   (  segid "PAH2" and resid 31   and name HD% )
      2.200     0.600     0.600 peak  1280 weight  0.10000E+01 volume  0.80349E-02 ppm1      0.612 ppm2      6.847 CV     1
 ASSI { 1281}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "PAH2" and resid 32   and name HN  ))
      2.900     1.000     1.000 peak  1281 weight  0.10000E+01 volume  0.17832E-02 ppm1      0.612 ppm2      7.662 CV     1
 ASSI { 1282}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "PAH2" and resid 33   and name HN  ))
      3.600     1.600     1.600 peak  1282 weight  0.10000E+01 volume  0.45147E-03 ppm1      0.612 ppm2      8.076 CV     1
 ASSI { 1284}
   (  segid "PAH2" and resid 32   and name HD1%)
   (( segid "PAH2" and resid 32   and name HG  ))
      2.100     0.500     0.500 peak  1284 weight  0.10000E+01 volume  0.12020E-01 ppm1      0.614 ppm2      1.403 CV     1
 ASSI { 1285}
   (  segid "PAH2" and resid 32   and name HD1%)
   (  segid "MAD1" and resid 209  and name HB% )
      2.300     0.700     0.700 peak  1285 weight  0.10000E+01 volume  0.63284E-02 ppm1      0.614 ppm2      1.666 CV     1
 ASSI { 1286}
   (  segid "PAH2" and resid 32   and name HD1%)
   (( segid "PAH2" and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak  1286 weight  0.10000E+01 volume  0.77933E-02 ppm1      0.614 ppm2      1.779 CV     1
 ASSI { 1287}
   (  segid "PAH2" and resid 32   and name HD1%)
   (( segid "PAH2" and resid 32   and name HA  ))
      3.200     1.300     1.300 peak  1287 weight  0.10000E+01 volume  0.91502E-03 ppm1      0.614 ppm2      3.472 CV     1
 ASSI { 1291}
   (  segid "PAH2" and resid 32   and name HD1%)
   (( segid "PAH2" and resid 32   and name HN  ))
      3.000     1.100     1.100 peak  1291 weight  0.10000E+01 volume  0.13867E-02 ppm1      0.614 ppm2      7.653 CV     1
 ASSI { 1292}
   (  segid "PAH2" and resid 32   and name HD1%)
   (( segid "PAH2" and resid 33   and name HN  ))
      3.800     1.800     1.800 peak  1292 weight  0.10000E+01 volume  0.30533E-03 ppm1      0.614 ppm2      8.063 CV     1
 ASSI { 1294}
   (( segid "PAH2" and resid 34   and name HA  ))
   (( segid "PAH2" and resid 37   and name HB  ))
      2.700     0.900     0.900 peak  1294 weight  0.10000E+01 volume  0.27529E-02 ppm1      3.709 ppm2      4.426 CV     1
 ASSI { 1296}
   (( segid "PAH2" and resid 34   and name HA  ))
   (( segid "PAH2" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1296 weight  0.10000E+01 volume  0.40707E-02 ppm1      3.709 ppm2      8.024 CV     1
 ASSI { 1298}
   (( segid "PAH2" and resid 34   and name HA  ))
   (  segid "PAH2" and resid 53   and name HE% )
      3.100     1.200     1.200 peak  1298 weight  0.10000E+01 volume  0.10010E-02 ppm1      3.709 ppm2      2.090 CV     1
 ASSI { 1299}
   (( segid "PAH2" and resid 34   and name HA  ))
   (( segid "PAH2" and resid 34   and name HG13))
      2.200     0.600     0.600 peak  1299 weight  0.10000E+01 volume  0.78288E-02 ppm1      3.709 ppm2      1.790 CV     1
 OR { 1299}
   (( segid "PAH2" and resid 34   and name HA  ))
   (( segid "PAH2" and resid 34   and name HB  ))
 ASSI { 1300}
   (( segid "PAH2" and resid 34   and name HA  ))
   (  segid "PAH2" and resid 37   and name HG2%)
      3.300     1.300     1.300 peak  1300 weight  0.10000E+01 volume  0.81486E-03 ppm1      3.709 ppm2      1.277 CV     1
 ASSI { 1301}
   (( segid "PAH2" and resid 34   and name HA  ))
   (( segid "PAH2" and resid 34   and name HG12))
      2.400     0.700     0.700 peak  1301 weight  0.10000E+01 volume  0.48827E-02 ppm1      3.709 ppm2      1.053 CV     1
 ASSI { 1302}
   (( segid "PAH2" and resid 34   and name HA  ))
   (  segid "PAH2" and resid 34   and name HG2%)
      2.100     0.500     0.500 peak  1302 weight  0.10000E+01 volume  0.12766E-01 ppm1      3.709 ppm2      0.765 CV     1
 ASSI { 1303}
   (( segid "PAH2" and resid 34   and name HB  ))
   (( segid "PAH2" and resid 34   and name HG12))
      2.800     1.000     1.000 peak  1303 weight  0.10000E+01 volume  0.20936E-02 ppm1      1.809 ppm2      1.053 CV     1
 ASSI { 1304}
   (( segid "PAH2" and resid 34   and name HB  ))
   (  segid "PAH2" and resid 34   and name HG2%)
      2.000     0.500     0.500 peak  1304 weight  0.10000E+01 volume  0.15153E-01 ppm1      1.809 ppm2      0.765 CV     1
 ASSI { 1305}
   (( segid "PAH2" and resid 34   and name HB  ))
   (( segid "PAH2" and resid 34   and name HA  ))
      3.600     1.600     1.600 peak  1305 weight  0.10000E+01 volume  0.43414E-03 ppm1      1.809 ppm2      3.714 CV     1
 ASSI { 1306}
   (( segid "PAH2" and resid 34   and name HB  ))
   (( segid "PAH2" and resid 35   and name HN  ))
      3.000     1.100     1.100 peak  1306 weight  0.10000E+01 volume  0.12603E-02 ppm1      1.809 ppm2      7.350 CV     1
 ASSI { 1307}
   (( segid "PAH2" and resid 34   and name HB  ))
   (( segid "PAH2" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1307 weight  0.10000E+01 volume  0.38697E-02 ppm1      1.809 ppm2      8.024 CV     1
 ASSI { 1308}
   (  segid "PAH2" and resid 34   and name HG2%)
   (  segid "PAH2" and resid 62   and name HG2%)
      2.000     0.500     0.500 peak  1308 weight  0.10000E+01 volume  0.17391E-01 ppm1      0.768 ppm2      0.565 CV     1
 ASSI { 1310}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 34   and name HG12))
      2.500     0.800     0.800 peak  1310 weight  0.10000E+01 volume  0.36210E-02 ppm1      0.768 ppm2      1.065 CV     1
 ASSI { 1312}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 61   and name HB2 ))
      2.100     0.600     0.600 peak  1312 weight  0.10000E+01 volume  0.99956E-02 ppm1      0.768 ppm2      2.052 CV     1
 OR { 1312}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 61   and name HB3 ))
 ASSI { 1313}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 57   and name HG3 ))
      2.900     1.100     1.100 peak  1313 weight  0.10000E+01 volume  0.15075E-02 ppm1      0.768 ppm2      2.360 CV     1
 OR { 1313}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 57   and name HG2 ))
 ASSI { 1314}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 58   and name HA  ))
      2.600     0.900     0.900 peak  1314 weight  0.10000E+01 volume  0.27842E-02 ppm1      0.768 ppm2      3.564 CV     1
 ASSI { 1318}
   (  segid "PAH2" and resid 34   and name HG2%)
   (  segid "PAH2" and resid 76   and name HE% )
      3.700     1.700     1.700 peak  1318 weight  0.10000E+01 volume  0.39798E-03 ppm1      0.768 ppm2      7.050 CV     1
 ASSI { 1319}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  1319 weight  0.10000E+01 volume  0.22804E-02 ppm1      0.768 ppm2      7.338 CV     1
 ASSI { 1321}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 62   and name HN  ))
      3.400     1.400     1.400 peak  1321 weight  0.10000E+01 volume  0.63795E-03 ppm1      0.768 ppm2      8.349 CV     1
 ASSI { 1322}
   (( segid "PAH2" and resid 34   and name HG12))
   (  segid "PAH2" and resid 34   and name HD1%)
      2.100     0.500     0.500 peak  1322 weight  0.10000E+01 volume  0.12461E-01 ppm1      1.047 ppm2      0.740 CV     1
 OR { 1322}
   (( segid "PAH2" and resid 34   and name HG12))
   (  segid "PAH2" and resid 34   and name HG2%)
 ASSI { 1323}
   (( segid "PAH2" and resid 34   and name HG12))
   (( segid "PAH2" and resid 34   and name HG13))
      2.000     0.500     0.500 peak  1323 weight  0.10000E+01 volume  0.16560E-01 ppm1      1.047 ppm2      1.752 CV     1
 ASSI { 1325}
   (( segid "PAH2" and resid 34   and name HG12))
   (( segid "PAH2" and resid 34   and name HN  ))
      2.900     1.100     1.100 peak  1325 weight  0.10000E+01 volume  0.15402E-02 ppm1      1.047 ppm2      8.024 CV     1
 ASSI { 1327}
   (( segid "PAH2" and resid 34   and name HG13))
   (  segid "PAH2" and resid 34   and name HD1%)
      2.200     0.600     0.600 peak  1327 weight  0.10000E+01 volume  0.94344E-02 ppm1      1.748 ppm2      0.728 CV     1
 ASSI { 1328}
   (( segid "PAH2" and resid 34   and name HG13))
   (( segid "PAH2" and resid 61   and name HB3 ))
      2.600     0.900     0.900 peak  1328 weight  0.10000E+01 volume  0.30307E-02 ppm1      1.748 ppm2      2.052 CV     1
 OR { 1328}
   (( segid "PAH2" and resid 34   and name HG13))
   (( segid "PAH2" and resid 61   and name HB2 ))
 ASSI { 1329}
   (( segid "PAH2" and resid 34   and name HG13))
   (( segid "PAH2" and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1329 weight  0.10000E+01 volume  0.10961E-02 ppm1      1.748 ppm2      3.701 CV     1
 ASSI { 1330}
   (( segid "PAH2" and resid 34   and name HG13))
   (( segid "PAH2" and resid 34   and name HN  ))
      2.700     0.900     0.900 peak  1330 weight  0.10000E+01 volume  0.26023E-02 ppm1      1.748 ppm2      8.024 CV     1
 ASSI { 1331}
   (  segid "PAH2" and resid 34   and name HD1%)
   (  segid "PAH2" and resid 62   and name HG2%)
      2.200     0.600     0.600 peak  1331 weight  0.10000E+01 volume  0.81627E-02 ppm1      0.703 ppm2      0.553 CV     1
 ASSI { 1333}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 34   and name HG12))
      2.200     0.600     0.600 peak  1333 weight  0.10000E+01 volume  0.95196E-02 ppm1      0.703 ppm2      1.053 CV     1
 ASSI { 1334}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 34   and name HG13))
      1.900     0.500     0.500 peak  1334 weight  0.10000E+01 volume  0.20560E-01 ppm1      0.703 ppm2      1.765 CV     1
 OR { 1334}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 34   and name HB  ))
 ASSI { 1335}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 61   and name HB3 ))
      2.100     0.600     0.600 peak  1335 weight  0.10000E+01 volume  0.11174E-01 ppm1      0.703 ppm2      2.040 CV     1
 ASSI { 1337}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 62   and name HA  ))
      2.600     0.800     0.800 peak  1337 weight  0.10000E+01 volume  0.34398E-02 ppm1      0.703 ppm2      3.002 CV     1
 ASSI { 1338}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 34   and name HA  ))
      2.700     0.900     0.900 peak  1338 weight  0.10000E+01 volume  0.25852E-02 ppm1      0.703 ppm2      3.701 CV     1
 ASSI { 1339}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 31   and name HA  ))
      2.300     0.700     0.700 peak  1339 weight  0.10000E+01 volume  0.64541E-02 ppm1      0.703 ppm2      3.876 CV     1
 ASSI { 1340}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak  1340 weight  0.10000E+01 volume  0.19600E-02 ppm1      0.703 ppm2      4.076 CV     1
 ASSI { 1341}
   (  segid "PAH2" and resid 34   and name HD1%)
   (  segid "PAH2" and resid 31   and name HD% )
      3.000     1.100     1.100 peak  1341 weight  0.10000E+01 volume  0.12525E-02 ppm1      0.704 ppm2      6.840 CV     1
 ASSI { 1342}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 35   and name HN  ))
      3.600     1.600     1.600 peak  1342 weight  0.10000E+01 volume  0.45204E-03 ppm1      0.703 ppm2      7.350 CV     1
 ASSI { 1344}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 62   and name HN  ))
      3.400     1.400     1.400 peak  1344 weight  0.10000E+01 volume  0.66204E-03 ppm1      0.703 ppm2      8.349 CV     1
 ASSI { 1345}
   (( segid "PAH2" and resid 35   and name HA  ))
   (( segid "PAH2" and resid 38   and name HB3 ))
      2.700     0.900     0.900 peak  1345 weight  0.10000E+01 volume  0.25248E-02 ppm1      3.839 ppm2      3.177 CV     1
 OR { 1345}
   (( segid "PAH2" and resid 35   and name HA  ))
   (( segid "PAH2" and resid 38   and name HB2 ))
 ASSI { 1346}
   (( segid "PAH2" and resid 35   and name HA  ))
   (( segid "PAH2" and resid 35   and name HB3 ))
      3.000     1.100     1.100 peak  1346 weight  0.10000E+01 volume  0.13385E-02 ppm1      3.839 ppm2      1.740 CV     1
 ASSI { 1347}
   (( segid "PAH2" and resid 35   and name HA  ))
   (( segid "PAH2" and resid 35   and name HG  ))
      3.100     1.200     1.200 peak  1347 weight  0.10000E+01 volume  0.99459E-03 ppm1      3.839 ppm2      1.390 CV     1
 ASSI { 1348}
   (( segid "PAH2" and resid 35   and name HA  ))
   (( segid "PAH2" and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak  1348 weight  0.10000E+01 volume  0.21021E-02 ppm1      3.839 ppm2      1.165 CV     1
 ASSI { 1349}
   (( segid "PAH2" and resid 35   and name HA  ))
   (  segid "MAD1" and resid 202  and name HG2%)
      3.200     1.300     1.300 peak  1349 weight  0.10000E+01 volume  0.93278E-03 ppm1      3.839 ppm2      1.015 CV     1
 ASSI { 1350}
   (( segid "PAH2" and resid 35   and name HA  ))
   (  segid "PAH2" and resid 58   and name HG1%)
      2.900     1.100     1.100 peak  1350 weight  0.10000E+01 volume  0.14719E-02 ppm1      3.839 ppm2      0.790 CV     1
 OR { 1350}
   (( segid "PAH2" and resid 35   and name HA  ))
   (  segid "PAH2" and resid 58   and name HG2%)
 ASSI { 1351}
   (( segid "PAH2" and resid 35   and name HA  ))
   (  segid "PAH2" and resid 35   and name HD2%)
      2.100     0.600     0.600 peak  1351 weight  0.10000E+01 volume  0.10244E-01 ppm1      3.839 ppm2      0.578 CV     1
 ASSI { 1352}
   (( segid "PAH2" and resid 35   and name HA  ))
   (  segid "PAH2" and resid 35   and name HD1%)
      3.000     1.100     1.100 peak  1352 weight  0.10000E+01 volume  0.14386E-02 ppm1      3.839 ppm2      0.440 CV     1
 ASSI { 1355}
   (( segid "PAH2" and resid 35   and name HA  ))
   (( segid "PAH2" and resid 38   and name HN  ))
      3.600     1.600     1.600 peak  1355 weight  0.10000E+01 volume  0.46952E-03 ppm1      3.839 ppm2      8.199 CV     1
 ASSI { 1356}
   (( segid "PAH2" and resid 35   and name HB2 ))
   (  segid "MAD1" and resid 202  and name HG2%)
      3.400     1.400     1.400 peak  1356 weight  0.10000E+01 volume  0.63448E-03 ppm1      1.141 ppm2      0.990 CV     1
 ASSI { 1358}
   (( segid "PAH2" and resid 35   and name HB2 ))
   (  segid "PAH2" and resid 35   and name HD1%)
      2.500     0.800     0.800 peak  1358 weight  0.10000E+01 volume  0.41716E-02 ppm1      1.141 ppm2      0.440 CV     1
 ASSI { 1361}
   (( segid "PAH2" and resid 35   and name HB2 ))
   (( segid "PAH2" and resid 35   and name HN  ))
      4.300     2.300     1.700 peak  1361 weight  0.10000E+01 volume  0.15714E-03 ppm1      1.141 ppm2      7.362 CV     1
 ASSI { 1362}
   (( segid "PAH2" and resid 35   and name HB3 ))
   (( segid "PAH2" and resid 35   and name HG  ))
      3.200     1.300     1.300 peak  1362 weight  0.10000E+01 volume  0.94060E-03 ppm1      1.724 ppm2      1.377 CV     1
 ASSI { 1363}
   (( segid "PAH2" and resid 35   and name HB3 ))
   (( segid "PAH2" and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak  1363 weight  0.10000E+01 volume  0.31223E-02 ppm1      1.724 ppm2      1.153 CV     1
 ASSI { 1369}
   (( segid "PAH2" and resid 35   and name HG  ))
   (  segid "PAH2" and resid 35   and name HD1%)
      2.100     0.600     0.600 peak  1369 weight  0.10000E+01 volume  0.10713E-01 ppm1      1.363 ppm2      0.428 CV     1
 ASSI { 1370}
   (( segid "PAH2" and resid 35   and name HG  ))
   (  segid "PAH2" and resid 35   and name HD2%)
      2.200     0.600     0.600 peak  1370 weight  0.10000E+01 volume  0.74737E-02 ppm1      1.363 ppm2      0.578 CV     1
 ASSI { 1371}
   (( segid "PAH2" and resid 35   and name HG  ))
   (( segid "PAH2" and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  1371 weight  0.10000E+01 volume  0.99245E-03 ppm1      1.363 ppm2      1.153 CV     1
 ASSI { 1374}
   (  segid "PAH2" and resid 35   and name HD2%)
   (  segid "PAH2" and resid 58   and name HG1%)
      1.900     0.500     0.500 peak  1374 weight  0.10000E+01 volume  0.20531E-01 ppm1      0.553 ppm2      0.790 CV     1
 ASSI { 1375}
   (  segid "PAH2" and resid 35   and name HD2%)
   (  segid "MAD1" and resid 202  and name HG2%)
      2.200     0.600     0.600 peak  1375 weight  0.10000E+01 volume  0.83972E-02 ppm1      0.553 ppm2      0.990 CV     1
 ASSI { 1378}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "PAH2" and resid 35   and name HB3 ))
      2.400     0.700     0.700 peak  1378 weight  0.10000E+01 volume  0.48735E-02 ppm1      0.553 ppm2      1.715 CV     1
 ASSI { 1380}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "PAH2" and resid 38   and name HB3 ))
      3.400     1.400     1.400 peak  1380 weight  0.10000E+01 volume  0.63142E-03 ppm1      0.553 ppm2      3.177 CV     1
 OR { 1380}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "PAH2" and resid 38   and name HB2 ))
 ASSI { 1383}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "PAH2" and resid 76   and name HZ  ))
      2.200     0.600     0.600 peak  1383 weight  0.10000E+01 volume  0.78644E-02 ppm1      0.553 ppm2      6.850 CV     1
 ASSI { 1384}
   (  segid "PAH2" and resid 35   and name HD2%)
   (  segid "PAH2" and resid 76   and name HE% )
      2.300     0.700     0.700 peak  1384 weight  0.10000E+01 volume  0.61757E-02 ppm1      0.553 ppm2      7.100 CV     1
 ASSI { 1386}
   (  segid "PAH2" and resid 35   and name HD1%)
   (  segid "PAH2" and resid 35   and name HD2%)
      2.000     0.500     0.500 peak  1386 weight  0.10000E+01 volume  0.16311E-01 ppm1      0.415 ppm2      0.565 CV     1
 ASSI { 1391}
   (  segid "PAH2" and resid 35   and name HD1%)
   (( segid "PAH2" and resid 35   and name HB3 ))
      2.400     0.700     0.700 peak  1391 weight  0.10000E+01 volume  0.45261E-02 ppm1      0.415 ppm2      1.727 CV     1
 ASSI { 1396}
   (  segid "PAH2" and resid 35   and name HD1%)
   (  segid "PAH2" and resid 76   and name HE% )
      2.900     1.000     1.000 peak  1396 weight  0.10000E+01 volume  0.17604E-02 ppm1      0.416 ppm2      7.098 CV     1
 ASSI { 1397}
   (  segid "PAH2" and resid 35   and name HD1%)
   (( segid "PAH2" and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  1397 weight  0.10000E+01 volume  0.26442E-02 ppm1      0.417 ppm2      7.343 CV     1
 ASSI { 1398}
   (( segid "PAH2" and resid 36   and name HA  ))
   (( segid "PAH2" and resid 36   and name HB3 ))
      2.200     0.600     0.600 peak  1398 weight  0.10000E+01 volume  0.92639E-02 ppm1      4.225 ppm2      3.252 CV     1
 OR { 1398}
   (( segid "PAH2" and resid 36   and name HA  ))
   (( segid "PAH2" and resid 36   and name HB2 ))
 ASSI { 1399}
   (( segid "PAH2" and resid 36   and name HA  ))
   (( segid "PAH2" and resid 39   and name HG3 ))
      3.300     1.400     1.400 peak  1399 weight  0.10000E+01 volume  0.75163E-03 ppm1      4.225 ppm2      2.389 CV     1
 OR { 1399}
   (( segid "PAH2" and resid 36   and name HA  ))
   (( segid "PAH2" and resid 39   and name HG2 ))
 ASSI { 1400}
   (( segid "PAH2" and resid 36   and name HA  ))
   (( segid "PAH2" and resid 39   and name HB2 ))
      2.600     0.800     0.800 peak  1400 weight  0.10000E+01 volume  0.33709E-02 ppm1      4.225 ppm2      2.140 CV     1
 OR { 1400}
   (( segid "PAH2" and resid 36   and name HA  ))
   (( segid "PAH2" and resid 39   and name HB3 ))
 ASSI { 1401}
   (( segid "PAH2" and resid 36   and name HA  ))
   (  segid "MAD1" and resid 206  and name HD2%)
      2.500     0.800     0.800 peak  1401 weight  0.10000E+01 volume  0.42668E-02 ppm1      4.225 ppm2      0.578 CV     1
 ASSI { 1405}
   (( segid "PAH2" and resid 36   and name HB3 ))
   (( segid "PAH2" and resid 36   and name HA  ))
      2.600     0.800     0.800 peak  1405 weight  0.10000E+01 volume  0.33603E-02 ppm1      3.178 ppm2      4.226 CV     1
 ASSI { 1406}
   (( segid "PAH2" and resid 36   and name HB3 ))
   (( segid "PAH2" and resid 37   and name HN  ))
      3.800     1.800     1.800 peak  1406 weight  0.10000E+01 volume  0.34022E-03 ppm1      3.178 ppm2      8.562 CV     1
 ASSI { 1407}
   (( segid "PAH2" and resid 36   and name HB3 ))
   (( segid "PAH2" and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  1407 weight  0.10000E+01 volume  0.22578E-02 ppm1      3.178 ppm2      8.749 CV     1
 ASSI { 1408}
   (( segid "PAH2" and resid 36   and name HB2 ))
   (( segid "PAH2" and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  1408 weight  0.10000E+01 volume  0.18599E-02 ppm1      3.299 ppm2      4.097 CV     1
 ASSI { 1409}
   (( segid "PAH2" and resid 36   and name HB2 ))
   (( segid "PAH2" and resid 36   and name HA  ))
      2.800     1.000     1.000 peak  1409 weight  0.10000E+01 volume  0.18841E-02 ppm1      3.299 ppm2      4.226 CV     1
 ASSI { 1410}
   (( segid "PAH2" and resid 36   and name HB2 ))
   (( segid "PAH2" and resid 37   and name HN  ))
      3.800     1.800     1.800 peak  1410 weight  0.10000E+01 volume  0.32082E-03 ppm1      3.299 ppm2      8.574 CV     1
 ASSI { 1412}
   (( segid "PAH2" and resid 37   and name HA  ))
   (( segid "PAH2" and resid 37   and name HB  ))
      3.000     1.100     1.100 peak  1412 weight  0.10000E+01 volume  0.12574E-02 ppm1      3.863 ppm2      4.451 CV     1
 ASSI { 1416}
   (( segid "PAH2" and resid 37   and name HA  ))
   (( segid "PAH2" and resid 40   and name HB2 ))
      2.500     0.800     0.800 peak  1416 weight  0.10000E+01 volume  0.35599E-02 ppm1      3.863 ppm2      1.940 CV     1
 ASSI { 1417}
   (( segid "PAH2" and resid 37   and name HA  ))
   (( segid "PAH2" and resid 40   and name HD2 ))
      3.200     1.300     1.300 peak  1417 weight  0.10000E+01 volume  0.87098E-03 ppm1      3.863 ppm2      1.677 CV     1
 OR { 1417}
   (( segid "PAH2" and resid 37   and name HA  ))
   (( segid "PAH2" and resid 40   and name HD3 ))
 ASSI { 1419}
   (( segid "PAH2" and resid 37   and name HB  ))
   (  segid "PAH2" and resid 37   and name HG2%)
      2.200     0.600     0.600 peak  1419 weight  0.10000E+01 volume  0.87168E-02 ppm1      4.441 ppm2      1.277 CV     1
 ASSI { 1426}
   (  segid "PAH2" and resid 37   and name HG2%)
   (( segid "PAH2" and resid 37   and name HA  ))
      2.100     0.500     0.500 peak  1426 weight  0.10000E+01 volume  0.11402E-01 ppm1      1.277 ppm2      3.864 CV     1
 ASSI { 1429}
   (  segid "PAH2" and resid 37   and name HG2%)
   (( segid "PAH2" and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1429 weight  0.10000E+01 volume  0.23792E-02 ppm1      1.276 ppm2      8.200 CV     1
 ASSI { 1430}
   (  segid "PAH2" and resid 37   and name HG2%)
   (( segid "PAH2" and resid 37   and name HN  ))
      2.900     1.000     1.000 peak  1430 weight  0.10000E+01 volume  0.16560E-02 ppm1      1.275 ppm2      8.560 CV     1
 ASSI { 1431}
   (( segid "PAH2" and resid 38   and name HA  ))
   (( segid "PAH2" and resid 38   and name HB2 ))
      2.200     0.600     0.600 peak  1431 weight  0.10000E+01 volume  0.76371E-02 ppm1      4.125 ppm2      3.164 CV     1
 ASSI { 1432}
   (( segid "PAH2" and resid 38   and name HA  ))
   (  segid "PAH2" and resid 53   and name HE% )
      2.500     0.800     0.800 peak  1432 weight  0.10000E+01 volume  0.38469E-02 ppm1      4.125 ppm2      2.040 CV     1
 OR { 1432}
   (( segid "PAH2" and resid 38   and name HA  ))
   (( segid "PAH2" and resid 53   and name HB2 ))
 ASSI { 1435}
   (( segid "PAH2" and resid 38   and name HA  ))
   (( segid "PAH2" and resid 38   and name HN  ))
      2.600     0.900     0.900 peak  1435 weight  0.10000E+01 volume  0.29206E-02 ppm1      4.126 ppm2      8.195 CV     1
 ASSI { 1439}
   (( segid "PAH2" and resid 38   and name HB2 ))
   (  segid "PAH2" and resid 38   and name HD% )
      2.600     0.800     0.800 peak  1439 weight  0.10000E+01 volume  0.33098E-02 ppm1      3.131 ppm2      6.965 CV     1
 ASSI { 1440}
   (( segid "PAH2" and resid 38   and name HB2 ))
   (( segid "PAH2" and resid 38   and name HN  ))
      2.600     0.800     0.800 peak  1440 weight  0.10000E+01 volume  0.34875E-02 ppm1      3.130 ppm2      8.184 CV     1
 ASSI { 1442}
   (( segid "PAH2" and resid 38   and name HB3 ))
   (  segid "PAH2" and resid 38   and name HD% )
      3.100     1.200     1.200 peak  1442 weight  0.10000E+01 volume  0.10315E-02 ppm1      3.210 ppm2      6.959 CV     1
 ASSI { 1443}
   (( segid "PAH2" and resid 38   and name HB3 ))
   (( segid "PAH2" and resid 38   and name HN  ))
      3.300     1.300     1.300 peak  1443 weight  0.10000E+01 volume  0.79141E-03 ppm1      3.210 ppm2      8.199 CV     1
 ASSI { 1444}
   (( segid "PAH2" and resid 39   and name HA  ))
   (( segid "PAH2" and resid 39   and name HG2 ))
      2.400     0.700     0.700 peak  1444 weight  0.10000E+01 volume  0.48401E-02 ppm1      3.900 ppm2      2.389 CV     1
 ASSI { 1445}
   (( segid "PAH2" and resid 39   and name HA  ))
   (( segid "PAH2" and resid 39   and name HB2 ))
      2.000     0.500     0.500 peak  1445 weight  0.10000E+01 volume  0.17122E-01 ppm1      3.900 ppm2      2.140 CV     1
 OR { 1445}
   (( segid "PAH2" and resid 39   and name HA  ))
   (( segid "PAH2" and resid 39   and name HB3 ))
 ASSI { 1448}
   (( segid "PAH2" and resid 39   and name HA  ))
   (( segid "PAH2" and resid 40   and name HN  ))
      3.000     1.100     1.100 peak  1448 weight  0.10000E+01 volume  0.13157E-02 ppm1      3.900 ppm2      8.176 CV     1
 ASSI { 1450}
   (( segid "PAH2" and resid 39   and name HB3 ))
   (  segid "MAD1" and resid 206  and name HD2%)
      3.100     1.200     1.200 peak  1450 weight  0.10000E+01 volume  0.10287E-02 ppm1      2.114 ppm2      0.603 CV     1
 ASSI { 1451}
   (( segid "PAH2" and resid 39   and name HB2 ))
   (  segid "MAD1" and resid 206  and name HD2%)
      2.900     1.100     1.100 peak  1451 weight  0.10000E+01 volume  0.15367E-02 ppm1      2.159 ppm2      0.603 CV     1
 ASSI { 1452}
   (( segid "PAH2" and resid 39   and name HB2 ))
   (( segid "PAH2" and resid 39   and name HN  ))
      2.800     1.000     1.000 peak  1452 weight  0.10000E+01 volume  0.20175E-02 ppm1      2.159 ppm2      8.387 CV     1
 ASSI { 1455}
   (( segid "PAH2" and resid 39   and name HG2 ))
   (( segid "PAH2" and resid 39   and name HN  ))
      2.800     1.000     1.000 peak  1455 weight  0.10000E+01 volume  0.21064E-02 ppm1      2.353 ppm2      8.388 CV     1
 ASSI { 1456}
   (( segid "PAH2" and resid 39   and name HG3 ))
   (( segid "PAH2" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1456 weight  0.10000E+01 volume  0.27010E-02 ppm1      2.387 ppm2      3.900 CV     1
 ASSI { 1457}
   (( segid "PAH2" and resid 39   and name HG3 ))
   (( segid "PAH2" and resid 39   and name HN  ))
      3.100     1.200     1.200 peak  1457 weight  0.10000E+01 volume  0.10003E-02 ppm1      2.385 ppm2      8.388 CV     1
 ASSI { 1458}
   (( segid "PAH2" and resid 39   and name HG2 ))
   (( segid "PAH2" and resid 39   and name HE22))
      3.000     1.100     1.100 peak  1458 weight  0.10000E+01 volume  0.13860E-02 ppm1      2.356 ppm2      7.387 CV     1
 ASSI { 1459}
   (( segid "PAH2" and resid 39   and name HG3 ))
   (( segid "PAH2" and resid 39   and name HE22))
      3.000     1.100     1.100 peak  1459 weight  0.10000E+01 volume  0.13918E-02 ppm1      2.385 ppm2      7.387 CV     1
 ASSI { 1460}
   (( segid "PAH2" and resid 39   and name HG3 ))
   (  segid "MAD1" and resid 206  and name HD2%)
      2.700     0.900     0.900 peak  1460 weight  0.10000E+01 volume  0.23756E-02 ppm1      2.387 ppm2      0.603 CV     1
 ASSI { 1468}
   (( segid "PAH2" and resid 42   and name HA  ))
   (( segid "PAH2" and resid 42   and name HB2 ))
      2.100     0.500     0.500 peak  1468 weight  0.10000E+01 volume  0.12105E-01 ppm1      4.093 ppm2      2.086 CV     1
 ASSI { 1469}
   (( segid "PAH2" and resid 42   and name HA  ))
   (( segid "PAH2" and resid 42   and name HB3 ))
      2.400     0.700     0.700 peak  1469 weight  0.10000E+01 volume  0.54760E-02 ppm1      4.093 ppm2      1.890 CV     1
 ASSI { 1472}
   (( segid "PAH2" and resid 42   and name HB3 ))
   (( segid "PAH2" and resid 42   and name HB2 ))
      1.900     0.400     0.400 peak  1472 weight  0.10000E+01 volume  0.21881E-01 ppm1      1.899 ppm2      2.079 CV     1
 ASSI { 1479}
   (( segid "PAH2" and resid 42   and name HG2 ))
   (( segid "PAH2" and resid 42   and name HB3 ))
      2.500     0.800     0.800 peak  1479 weight  0.10000E+01 volume  0.44245E-02 ppm1      2.186 ppm2      1.902 CV     1
 OR { 1479}
   (( segid "PAH2" and resid 42   and name HG3 ))
   (( segid "PAH2" and resid 42   and name HB3 ))
 ASSI { 1480}
   (( segid "PAH2" and resid 42   and name HG2 ))
   (( segid "PAH2" and resid 39   and name HA  ))
      3.300     1.400     1.400 peak  1480 weight  0.10000E+01 volume  0.68840E-03 ppm1      2.186 ppm2      3.889 CV     1
 OR { 1480}
   (( segid "PAH2" and resid 42   and name HG3 ))
   (( segid "PAH2" and resid 39   and name HA  ))
 ASSI { 1481}
   (( segid "PAH2" and resid 42   and name HG3 ))
   (( segid "PAH2" and resid 42   and name HA  ))
      3.100     1.200     1.200 peak  1481 weight  0.10000E+01 volume  0.11068E-02 ppm1      2.186 ppm2      4.101 CV     1
 OR { 1481}
   (( segid "PAH2" and resid 42   and name HG2 ))
   (( segid "PAH2" and resid 42   and name HA  ))
 ASSI { 1482}
   (( segid "PAH2" and resid 42   and name HG3 ))
   (( segid "PAH2" and resid 42   and name HE22))
      3.300     1.400     1.400 peak  1482 weight  0.10000E+01 volume  0.71895E-03 ppm1      2.187 ppm2      6.767 CV     1
 OR { 1482}
   (( segid "PAH2" and resid 42   and name HG2 ))
   (( segid "PAH2" and resid 42   and name HE22))
 ASSI { 1483}
   (( segid "PAH2" and resid 42   and name HG3 ))
   (( segid "PAH2" and resid 42   and name HE21))
      2.800     1.000     1.000 peak  1483 weight  0.10000E+01 volume  0.18663E-02 ppm1      2.187 ppm2      7.007 CV     1
 OR { 1483}
   (( segid "PAH2" and resid 42   and name HG2 ))
   (( segid "PAH2" and resid 42   and name HE21))
 ASSI { 1484}
   (( segid "PAH2" and resid 42   and name HG3 ))
   (( segid "PAH2" and resid 42   and name HN  ))
      2.900     1.100     1.100 peak  1484 weight  0.10000E+01 volume  0.15637E-02 ppm1      2.186 ppm2      7.687 CV     1
 OR { 1484}
   (( segid "PAH2" and resid 42   and name HG2 ))
   (( segid "PAH2" and resid 42   and name HN  ))
 ASSI { 1486}
   (( segid "PAH2" and resid 43   and name HA  ))
   (( segid "PAH2" and resid 43   and name HB2 ))
      2.100     0.500     0.500 peak  1486 weight  0.10000E+01 volume  0.11850E-01 ppm1      4.260 ppm2      1.640 CV     1
 OR { 1486}
   (( segid "PAH2" and resid 43   and name HA  ))
   (( segid "PAH2" and resid 43   and name HG  ))
 ASSI { 1487}
   (( segid "PAH2" and resid 43   and name HA  ))
   (( segid "PAH2" and resid 43   and name HB3 ))
      2.200     0.600     0.600 peak  1487 weight  0.10000E+01 volume  0.84611E-02 ppm1      4.260 ppm2      1.486 CV     1
 ASSI { 1488}
   (( segid "PAH2" and resid 43   and name HA  ))
   (  segid "PAH2" and resid 43   and name HD2%)
      2.100     0.500     0.500 peak  1488 weight  0.10000E+01 volume  0.11353E-01 ppm1      4.260 ppm2      0.846 CV     1
 ASSI { 1491}
   (( segid "PAH2" and resid 43   and name HB3 ))
   (  segid "PAH2" and resid 43   and name HD1%)
      2.100     0.500     0.500 peak  1491 weight  0.10000E+01 volume  0.12838E-01 ppm1      1.486 ppm2      0.846 CV     1
 ASSI { 1492}
   (( segid "PAH2" and resid 43   and name HB3 ))
   (( segid "PAH2" and resid 43   and name HB2 ))
      1.700     0.300     0.500 peak  1492 weight  0.10000E+01 volume  0.44494E-01 ppm1      1.486 ppm2      1.652 CV     1
 ASSI { 1494}
   (( segid "PAH2" and resid 43   and name HB3 ))
   (( segid "PAH2" and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  1494 weight  0.10000E+01 volume  0.25163E-02 ppm1      1.486 ppm2      7.562 CV     1
 ASSI { 1496}
   (( segid "PAH2" and resid 43   and name HB2 ))
   (  segid "PAH2" and resid 43   and name HD1%)
      2.300     0.700     0.700 peak  1496 weight  0.10000E+01 volume  0.60144E-02 ppm1      1.674 ppm2      0.873 CV     1
 OR { 1496}
   (( segid "PAH2" and resid 43   and name HB2 ))
   (  segid "PAH2" and resid 43   and name HD2%)
 ASSI { 1497}
   (( segid "PAH2" and resid 43   and name HB2 ))
   (( segid "PAH2" and resid 43   and name HA  ))
      2.600     0.900     0.900 peak  1497 weight  0.10000E+01 volume  0.28630E-02 ppm1      1.674 ppm2      4.260 CV     1
 ASSI { 1498}
   (( segid "PAH2" and resid 43   and name HB2 ))
   (( segid "PAH2" and resid 43   and name HN  ))
      2.600     0.800     0.800 peak  1498 weight  0.10000E+01 volume  0.32892E-02 ppm1      1.674 ppm2      7.562 CV     1
 ASSI { 1499}
   (( segid "PAH2" and resid 43   and name HG  ))
   (( segid "PAH2" and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1499 weight  0.10000E+01 volume  0.25405E-02 ppm1      1.625 ppm2      4.260 CV     1
 ASSI { 1501}
   (( segid "PAH2" and resid 43   and name HG  ))
   (  segid "PAH2" and resid 43   and name HD2%)
      2.000     0.500     0.500 peak  1501 weight  0.10000E+01 volume  0.15991E-01 ppm1      1.626 ppm2      0.846 CV     1
 OR { 1501}
   (( segid "PAH2" and resid 43   and name HG  ))
   (  segid "PAH2" and resid 43   and name HD1%)
 ASSI { 1502}
   (  segid "PAH2" and resid 43   and name HD2%)
   (( segid "PAH2" and resid 43   and name HB3 ))
      2.300     0.700     0.700 peak  1502 weight  0.10000E+01 volume  0.58247E-02 ppm1      0.836 ppm2      1.486 CV     1
 ASSI { 1503}
   (  segid "PAH2" and resid 43   and name HD2%)
   (( segid "PAH2" and resid 43   and name HG  ))
      2.000     0.500     0.500 peak  1503 weight  0.10000E+01 volume  0.13711E-01 ppm1      0.836 ppm2      1.652 CV     1
 OR { 1503}
   (  segid "PAH2" and resid 43   and name HD2%)
   (( segid "PAH2" and resid 43   and name HB2 ))
 ASSI { 1505}
   (  segid "PAH2" and resid 43   and name HD2%)
   (( segid "PAH2" and resid 39   and name HE21))
      3.300     1.400     1.400 peak  1505 weight  0.10000E+01 volume  0.71326E-03 ppm1      0.836 ppm2      6.862 CV     1
 ASSI { 1506}
   (  segid "PAH2" and resid 43   and name HD2%)
   (( segid "PAH2" and resid 39   and name HE22))
      3.400     1.500     1.500 peak  1506 weight  0.10000E+01 volume  0.59008E-03 ppm1      0.836 ppm2      7.400 CV     1
 ASSI { 1507}
   (  segid "PAH2" and resid 43   and name HD2%)
   (( segid "PAH2" and resid 43   and name HN  ))
      3.000     1.100     1.100 peak  1507 weight  0.10000E+01 volume  0.12915E-02 ppm1      0.836 ppm2      7.562 CV     1
 ASSI { 1511}
   (  segid "PAH2" and resid 43   and name HD1%)
   (( segid "PAH2" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1511 weight  0.10000E+01 volume  0.10706E-02 ppm1      0.900 ppm2      4.260 CV     1
 ASSI { 1513}
   (  segid "PAH2" and resid 43   and name HD1%)
   (( segid "PAH2" and resid 43   and name HN  ))
      3.100     1.200     1.200 peak  1513 weight  0.10000E+01 volume  0.10699E-02 ppm1      0.900 ppm2      7.562 CV     1
 ASSI { 1514}
   (( segid "PAH2" and resid 44   and name HA  ))
   (( segid "PAH2" and resid 44   and name HB3 ))
      2.100     0.600     0.600 peak  1514 weight  0.10000E+01 volume  0.10884E-01 ppm1      4.687 ppm2      3.152 CV     1
 OR { 1514}
   (( segid "PAH2" and resid 44   and name HA  ))
   (( segid "PAH2" and resid 44   and name HB2 ))
 ASSI { 1516}
   (( segid "PAH2" and resid 44   and name HA  ))
   (( segid "PAH2" and resid 44   and name HN  ))
      2.500     0.800     0.800 peak  1516 weight  0.10000E+01 volume  0.37361E-02 ppm1      4.685 ppm2      8.249 CV     1
 ASSI { 1517}
   (( segid "PAH2" and resid 44   and name HB2 ))
   (( segid "PAH2" and resid 44   and name HA  ))
      2.500     0.800     0.800 peak  1517 weight  0.10000E+01 volume  0.40842E-02 ppm1      3.089 ppm2      4.701 CV     1
 ASSI { 1519}
   (( segid "PAH2" and resid 44   and name HB2 ))
   (( segid "PAH2" and resid 44   and name HN  ))
      3.800     1.800     1.800 peak  1519 weight  0.10000E+01 volume  0.31507E-03 ppm1      3.091 ppm2      8.253 CV     1
 ASSI { 1522}
   (( segid "PAH2" and resid 44   and name HB3 ))
   (( segid "PAH2" and resid 44   and name HA  ))
      2.400     0.700     0.700 peak  1522 weight  0.10000E+01 volume  0.48003E-02 ppm1      3.176 ppm2      4.701 CV     1
 ASSI { 1524}
   (( segid "PAH2" and resid 44   and name HB3 ))
   (( segid "PAH2" and resid 44   and name HD2 ))
      3.600     1.600     1.600 peak  1524 weight  0.10000E+01 volume  0.47108E-03 ppm1      3.176 ppm2      7.069 CV     1
 ASSI { 1525}
   (( segid "PAH2" and resid 44   and name HB2 ))
   (( segid "PAH2" and resid 44   and name HD2 ))
      4.300     2.300     1.700 peak  1525 weight  0.10000E+01 volume  0.15409E-03 ppm1      3.095 ppm2      7.075 CV     1
 ASSI { 1526}
   (( segid "PAH2" and resid 44   and name HB3 ))
   (( segid "PAH2" and resid 44   and name HN  ))
      3.600     1.600     1.600 peak  1526 weight  0.10000E+01 volume  0.42994E-03 ppm1      3.174 ppm2      8.242 CV     1
 ASSI { 1527}
   (( segid "PAH2" and resid 45   and name HA  ))
   (  segid "PAH2" and resid 45   and name HG2%)
      2.200     0.600     0.600 peak  1527 weight  0.10000E+01 volume  0.80206E-02 ppm1      4.294 ppm2      1.190 CV     1
 ASSI { 1528}
   (( segid "PAH2" and resid 45   and name HA  ))
   (( segid "PAH2" and resid 46   and name HD2 ))
      3.700     1.700     1.700 peak  1528 weight  0.10000E+01 volume  0.40060E-03 ppm1      4.294 ppm2      1.665 CV     1
 OR { 1528}
   (( segid "PAH2" and resid 45   and name HA  ))
   (( segid "PAH2" and resid 46   and name HD3 ))
 ASSI { 1529}
   (( segid "PAH2" and resid 45   and name HA  ))
   (( segid "PAH2" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak  1529 weight  0.10000E+01 volume  0.34526E-03 ppm1      4.294 ppm2      1.840 CV     1
 OR { 1529}
   (( segid "PAH2" and resid 45   and name HA  ))
   (( segid "PAH2" and resid 46   and name HB3 ))
 ASSI { 1530}
   (( segid "PAH2" and resid 45   and name HA  ))
   (( segid "PAH2" and resid 44   and name HB2 ))
      4.100     2.100     1.900 peak  1530 weight  0.10000E+01 volume  0.21306E-03 ppm1      4.294 ppm2      3.135 CV     1
 OR { 1530}
   (( segid "PAH2" and resid 45   and name HA  ))
   (( segid "PAH2" and resid 44   and name HB3 ))
 ASSI { 1532}
   (( segid "PAH2" and resid 45   and name HA  ))
   (( segid "PAH2" and resid 44   and name HN  ))
      3.200     1.300     1.300 peak  1532 weight  0.10000E+01 volume  0.94983E-03 ppm1      4.294 ppm2      8.247 CV     1
 ASSI { 1533}
   (( segid "PAH2" and resid 45   and name HA  ))
   (( segid "PAH2" and resid 46   and name HN  ))
      2.400     0.700     0.700 peak  1533 weight  0.10000E+01 volume  0.46277E-02 ppm1      4.294 ppm2      8.412 CV     1
 ASSI { 1534}
   (( segid "PAH2" and resid 45   and name HB  ))
   (( segid "PAH2" and resid 45   and name HA  ))
      2.100     0.600     0.600 peak  1534 weight  0.10000E+01 volume  0.10195E-01 ppm1      4.159 ppm2      4.314 CV     1
 ASSI { 1537}
   (( segid "PAH2" and resid 45   and name HB  ))
   (( segid "PAH2" and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak  1537 weight  0.10000E+01 volume  0.26328E-03 ppm1      4.159 ppm2      1.840 CV     1
 OR { 1537}
   (( segid "PAH2" and resid 45   and name HB  ))
   (( segid "PAH2" and resid 46   and name HB3 ))
 ASSI { 1538}
   (( segid "PAH2" and resid 45   and name HB  ))
   (( segid "PAH2" and resid 46   and name HD2 ))
      3.500     1.500     1.500 peak  1538 weight  0.10000E+01 volume  0.56564E-03 ppm1      4.159 ppm2      1.690 CV     1
 OR { 1538}
   (( segid "PAH2" and resid 45   and name HB  ))
   (( segid "PAH2" and resid 46   and name HD3 ))
 ASSI { 1539}
   (( segid "PAH2" and resid 45   and name HB  ))
   (  segid "PAH2" and resid 45   and name HG2%)
      2.100     0.600     0.600 peak  1539 weight  0.10000E+01 volume  0.10379E-01 ppm1      4.159 ppm2      1.190 CV     1
 ASSI { 1543}
   (( segid "PAH2" and resid 46   and name HA  ))
   (( segid "PAH2" and resid 46   and name HG3 ))
      2.400     0.700     0.700 peak  1543 weight  0.10000E+01 volume  0.47122E-02 ppm1      4.191 ppm2      1.452 CV     1
 OR { 1543}
   (( segid "PAH2" and resid 46   and name HA  ))
   (( segid "PAH2" and resid 46   and name HG2 ))
 ASSI { 1544}
   (( segid "PAH2" and resid 46   and name HA  ))
   (( segid "PAH2" and resid 46   and name HB3 ))
      2.000     0.500     0.500 peak  1544 weight  0.10000E+01 volume  0.17220E-01 ppm1      4.191 ppm2      1.838 CV     1
 OR { 1544}
   (( segid "PAH2" and resid 46   and name HA  ))
   (( segid "PAH2" and resid 46   and name HB2 ))
 ASSI { 1546}
   (( segid "PAH2" and resid 46   and name HA  ))
   (( segid "PAH2" and resid 47   and name HN  ))
      3.000     1.100     1.100 peak  1546 weight  0.10000E+01 volume  0.14478E-02 ppm1      4.191 ppm2      8.695 CV     1
 ASSI { 1547}
   (( segid "PAH2" and resid 46   and name HB2 ))
   (( segid "PAH2" and resid 46   and name HG2 ))
      2.000     0.500     0.500 peak  1547 weight  0.10000E+01 volume  0.13228E-01 ppm1      1.826 ppm2      1.452 CV     1
 OR { 1547}
   (( segid "PAH2" and resid 46   and name HB3 ))
   (( segid "PAH2" and resid 46   and name HG3 ))
 OR { 1547}
   (( segid "PAH2" and resid 46   and name HB2 ))
   (( segid "PAH2" and resid 46   and name HG3 ))
 ASSI { 1550}
   (( segid "PAH2" and resid 46   and name HG3 ))
   (( segid "PAH2" and resid 46   and name HE2 ))
      2.300     0.700     0.700 peak  1550 weight  0.10000E+01 volume  0.61145E-02 ppm1      1.396 ppm2      2.958 CV     1
 OR { 1550}
   (( segid "PAH2" and resid 46   and name HG3 ))
   (( segid "PAH2" and resid 46   and name HE3 ))
 OR { 1550}
   (( segid "PAH2" and resid 46   and name HG2 ))
   (( segid "PAH2" and resid 46   and name HE2 ))
 ASSI { 1552}
   (( segid "PAH2" and resid 46   and name HD3 ))
   (( segid "PAH2" and resid 46   and name HG2 ))
      1.700     0.300     0.500 peak  1552 weight  0.10000E+01 volume  0.45730E-01 ppm1      1.670 ppm2      1.415 CV     1
 OR { 1552}
   (( segid "PAH2" and resid 46   and name HD2 ))
   (( segid "PAH2" and resid 46   and name HG3 ))
 OR { 1552}
   (( segid "PAH2" and resid 46   and name HD2 ))
   (( segid "PAH2" and resid 46   and name HG2 ))
 ASSI { 1553}
   (( segid "PAH2" and resid 46   and name HD2 ))
   (( segid "PAH2" and resid 46   and name HN  ))
      3.100     1.200     1.200 peak  1553 weight  0.10000E+01 volume  0.11366E-02 ppm1      1.670 ppm2      8.409 CV     1
 OR { 1553}
   (( segid "PAH2" and resid 46   and name HD3 ))
   (( segid "PAH2" and resid 46   and name HN  ))
 ASSI { 1554}
   (( segid "PAH2" and resid 46   and name HD3 ))
   (( segid "PAH2" and resid 46   and name HE2 ))
      1.900     0.500     0.500 peak  1554 weight  0.10000E+01 volume  0.17497E-01 ppm1      1.670 ppm2      2.958 CV     1
 OR { 1554}
   (( segid "PAH2" and resid 46   and name HD2 ))
   (( segid "PAH2" and resid 46   and name HE3 ))
 OR { 1554}
   (( segid "PAH2" and resid 46   and name HD2 ))
   (( segid "PAH2" and resid 46   and name HE2 ))
 ASSI { 1555}
   (( segid "PAH2" and resid 46   and name HD2 ))
   (( segid "PAH2" and resid 46   and name HA  ))
      2.400     0.700     0.700 peak  1555 weight  0.10000E+01 volume  0.47229E-02 ppm1      1.670 ppm2      4.215 CV     1
 ASSI { 1561}
   (( segid "PAH2" and resid 47   and name HA1 ))
   (( segid "PAH2" and resid 47   and name HA2 ))
      1.800     0.400     0.400 peak  1561 weight  0.10000E+01 volume  0.28665E-01 ppm1      4.077 ppm2      3.817 CV     1
 ASSI { 1566}
   (( segid "PAH2" and resid 48   and name HA  ))
   (( segid "PAH2" and resid 49   and name HD3 ))
      2.100     0.500     0.500 peak  1566 weight  0.10000E+01 volume  0.11551E-01 ppm1      4.700 ppm2      3.767 CV     1
 ASSI { 1568}
   (( segid "PAH2" and resid 48   and name HA  ))
   (( segid "PAH2" and resid 48   and name HD3 ))
      3.100     1.200     1.200 peak  1568 weight  0.10000E+01 volume  0.10301E-02 ppm1      4.700 ppm2      3.170 CV     1
 OR { 1568}
   (( segid "PAH2" and resid 48   and name HA  ))
   (( segid "PAH2" and resid 48   and name HD2 ))
 ASSI { 1569}
   (( segid "PAH2" and resid 48   and name HA  ))
   (( segid "PAH2" and resid 49   and name HG2 ))
      2.900     1.000     1.000 peak  1569 weight  0.10000E+01 volume  0.17725E-02 ppm1      4.700 ppm2      1.962 CV     1
 OR { 1569}
   (( segid "PAH2" and resid 48   and name HA  ))
   (( segid "PAH2" and resid 49   and name HG3 ))
 ASSI { 1570}
   (( segid "PAH2" and resid 48   and name HA  ))
   (( segid "PAH2" and resid 48   and name HB3 ))
      2.300     0.700     0.700 peak  1570 weight  0.10000E+01 volume  0.65288E-02 ppm1      4.700 ppm2      1.813 CV     1
 ASSI { 1571}
   (( segid "PAH2" and resid 48   and name HA  ))
   (( segid "PAH2" and resid 48   and name HG2 ))
      2.200     0.600     0.600 peak  1571 weight  0.10000E+01 volume  0.84043E-02 ppm1      4.700 ppm2      1.626 CV     1
 ASSI { 1573}
   (( segid "PAH2" and resid 48   and name HB2 ))
   (( segid "PAH2" and resid 48   and name HD2 ))
      2.500     0.800     0.800 peak  1573 weight  0.10000E+01 volume  0.42163E-02 ppm1      1.698 ppm2      3.157 CV     1
 OR { 1573}
   (( segid "PAH2" and resid 48   and name HB2 ))
   (( segid "PAH2" and resid 48   and name HD3 ))
 ASSI { 1574}
   (( segid "PAH2" and resid 48   and name HB2 ))
   (( segid "PAH2" and resid 49   and name HD2 ))
      3.400     1.400     1.400 peak  1574 weight  0.10000E+01 volume  0.65565E-03 ppm1      1.698 ppm2      3.605 CV     1
 ASSI { 1575}
   (( segid "PAH2" and resid 48   and name HB2 ))
   (( segid "PAH2" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1575 weight  0.10000E+01 volume  0.26349E-02 ppm1      1.698 ppm2      4.700 CV     1
 ASSI { 1577}
   (( segid "PAH2" and resid 48   and name HB3 ))
   (( segid "PAH2" and resid 48   and name HD3 ))
      2.300     0.700     0.700 peak  1577 weight  0.10000E+01 volume  0.64705E-02 ppm1      1.821 ppm2      3.145 CV     1
 OR { 1577}
   (( segid "PAH2" and resid 48   and name HB3 ))
   (( segid "PAH2" and resid 48   and name HD2 ))
 ASSI { 1581}
   (( segid "PAH2" and resid 48   and name HB3 ))
   (( segid "PAH2" and resid 48   and name HN  ))
      2.700     0.900     0.900 peak  1581 weight  0.10000E+01 volume  0.22599E-02 ppm1      1.821 ppm2      7.911 CV     1
 ASSI { 1583}
   (( segid "PAH2" and resid 48   and name HG3 ))
   (( segid "PAH2" and resid 48   and name HD2 ))
      2.000     0.500     0.500 peak  1583 weight  0.10000E+01 volume  0.14372E-01 ppm1      1.563 ppm2      3.145 CV     1
 OR { 1583}
   (( segid "PAH2" and resid 48   and name HG3 ))
   (( segid "PAH2" and resid 48   and name HD3 ))
 ASSI { 1584}
   (( segid "PAH2" and resid 48   and name HG3 ))
   (( segid "PAH2" and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  1584 weight  0.10000E+01 volume  0.21170E-02 ppm1      1.563 ppm2      4.700 CV     1
 ASSI { 1586}
   (( segid "PAH2" and resid 48   and name HG2 ))
   (( segid "PAH2" and resid 48   and name HB3 ))
      2.100     0.600     0.600 peak  1586 weight  0.10000E+01 volume  0.11232E-01 ppm1      1.607 ppm2      1.813 CV     1
 ASSI { 1587}
   (( segid "PAH2" and resid 48   and name HG2 ))
   (( segid "PAH2" and resid 48   and name HD3 ))
      2.300     0.600     0.600 peak  1587 weight  0.10000E+01 volume  0.68619E-02 ppm1      1.607 ppm2      3.145 CV     1
 OR { 1587}
   (( segid "PAH2" and resid 48   and name HG2 ))
   (( segid "PAH2" and resid 48   and name HD2 ))
 ASSI { 1589}
   (( segid "PAH2" and resid 48   and name HG2 ))
   (( segid "PAH2" and resid 48   and name HN  ))
      3.100     1.200     1.200 peak  1589 weight  0.10000E+01 volume  0.10464E-02 ppm1      1.607 ppm2      7.899 CV     1
 ASSI { 1590}
   (( segid "PAH2" and resid 48   and name HD2 ))
   (( segid "PAH2" and resid 48   and name HG3 ))
      1.900     0.500     0.500 peak  1590 weight  0.10000E+01 volume  0.18620E-01 ppm1      3.151 ppm2      1.589 CV     1
 OR { 1590}
   (( segid "PAH2" and resid 48   and name HD3 ))
   (( segid "PAH2" and resid 48   and name HG2 ))
 OR { 1590}
   (( segid "PAH2" and resid 48   and name HD3 ))
   (( segid "PAH2" and resid 48   and name HG3 ))
 ASSI { 1593}
   (( segid "PAH2" and resid 49   and name HA  ))
   (( segid "PAH2" and resid 49   and name HB2 ))
      2.300     0.600     0.600 peak  1593 weight  0.10000E+01 volume  0.68825E-02 ppm1      4.416 ppm2      1.799 CV     1
 ASSI { 1595}
   (( segid "PAH2" and resid 49   and name HA  ))
   (( segid "PAH2" and resid 49   and name HB3 ))
      2.100     0.600     0.600 peak  1595 weight  0.10000E+01 volume  0.98962E-02 ppm1      4.415 ppm2      2.199 CV     1
 ASSI { 1597}
   (( segid "PAH2" and resid 49   and name HB2 ))
   (( segid "PAH2" and resid 49   and name HG2 ))
      1.900     0.400     0.400 peak  1597 weight  0.10000E+01 volume  0.22947E-01 ppm1      1.796 ppm2      1.962 CV     1
 OR { 1597}
   (( segid "PAH2" and resid 49   and name HB2 ))
   (( segid "PAH2" and resid 49   and name HG3 ))
 ASSI { 1598}
   (( segid "PAH2" and resid 49   and name HB2 ))
   (( segid "PAH2" and resid 49   and name HB3 ))
      1.900     0.400     0.400 peak  1598 weight  0.10000E+01 volume  0.22506E-01 ppm1      1.796 ppm2      2.199 CV     1
 ASSI { 1599}
   (( segid "PAH2" and resid 49   and name HB2 ))
   (( segid "PAH2" and resid 49   and name HD2 ))
      3.000     1.100     1.100 peak  1599 weight  0.10000E+01 volume  0.12624E-02 ppm1      1.796 ppm2      3.605 CV     1
 ASSI { 1600}
   (( segid "PAH2" and resid 49   and name HB2 ))
   (( segid "PAH2" and resid 49   and name HD3 ))
      3.100     1.200     1.200 peak  1600 weight  0.10000E+01 volume  0.11815E-02 ppm1      1.796 ppm2      3.767 CV     1
 ASSI { 1602}
   (( segid "PAH2" and resid 49   and name HB3 ))
   (( segid "PAH2" and resid 49   and name HG3 ))
      1.900     0.500     0.500 peak  1602 weight  0.10000E+01 volume  0.19621E-01 ppm1      2.182 ppm2      1.975 CV     1
 ASSI { 1614}
   (( segid "PAH2" and resid 49   and name HG2 ))
   (( segid "PAH2" and resid 49   and name HA  ))
      2.700     0.900     0.900 peak  1614 weight  0.10000E+01 volume  0.22876E-02 ppm1      1.964 ppm2      4.439 CV     1
 OR { 1614}
   (( segid "PAH2" and resid 49   and name HG3 ))
   (( segid "PAH2" and resid 49   and name HA  ))
 ASSI { 1623}
   (( segid "PAH2" and resid 49   and name HD2 ))
   (( segid "PAH2" and resid 49   and name HG2 ))
      2.000     0.500     0.500 peak  1623 weight  0.10000E+01 volume  0.13313E-01 ppm1      3.596 ppm2      1.975 CV     1
 OR { 1623}
   (( segid "PAH2" and resid 49   and name HD2 ))
   (( segid "PAH2" and resid 49   and name HG3 ))
 ASSI { 1624}
   (( segid "PAH2" and resid 49   and name HD2 ))
   (( segid "PAH2" and resid 48   and name HB3 ))
      2.200     0.600     0.600 peak  1624 weight  0.10000E+01 volume  0.91218E-02 ppm1      3.596 ppm2      1.788 CV     1
 ASSI { 1625}
   (( segid "PAH2" and resid 49   and name HD2 ))
   (( segid "PAH2" and resid 48   and name HG2 ))
      2.600     0.800     0.800 peak  1625 weight  0.10000E+01 volume  0.31699E-02 ppm1      3.596 ppm2      1.639 CV     1
 OR { 1625}
   (( segid "PAH2" and resid 49   and name HD2 ))
   (( segid "PAH2" and resid 48   and name HB2 ))
 ASSI { 1627}
   (( segid "PAH2" and resid 49   and name HD2 ))
   (( segid "PAH2" and resid 48   and name HA  ))
      2.100     0.500     0.500 peak  1627 weight  0.10000E+01 volume  0.12901E-01 ppm1      3.596 ppm2      4.700 CV     1
 ASSI { 1629}
   (( segid "PAH2" and resid 49   and name HD3 ))
   (( segid "PAH2" and resid 49   and name HD2 ))
      1.600     0.300     0.600 peak  1629 weight  0.10000E+01 volume  0.57508E-01 ppm1      3.765 ppm2      3.593 CV     1
 ASSI { 1630}
   (( segid "PAH2" and resid 49   and name HD3 ))
   (( segid "PAH2" and resid 49   and name HB3 ))
      2.300     0.700     0.700 peak  1630 weight  0.10000E+01 volume  0.65565E-02 ppm1      3.765 ppm2      2.186 CV     1
 ASSI { 1631}
   (( segid "PAH2" and resid 49   and name HD3 ))
   (( segid "PAH2" and resid 49   and name HG3 ))
      2.000     0.500     0.500 peak  1631 weight  0.10000E+01 volume  0.16411E-01 ppm1      3.765 ppm2      1.975 CV     1
 ASSI { 1634}
   (( segid "PAH2" and resid 50   and name HA  ))
   (( segid "PAH2" and resid 50   and name HB2 ))
      2.000     0.500     0.500 peak  1634 weight  0.10000E+01 volume  0.13675E-01 ppm1      4.613 ppm2      3.045 CV     1
 OR { 1634}
   (( segid "PAH2" and resid 50   and name HA  ))
   (( segid "PAH2" and resid 50   and name HB3 ))
 ASSI { 1635}
   (( segid "PAH2" and resid 50   and name HA  ))
   (  segid "PAH2" and resid 50   and name HD% )
      2.300     0.700     0.700 peak  1635 weight  0.10000E+01 volume  0.60343E-02 ppm1      4.613 ppm2      7.164 CV     1
 ASSI { 1637}
   (( segid "PAH2" and resid 50   and name HA  ))
   (( segid "PAH2" and resid 51   and name HN  ))
      2.100     0.500     0.500 peak  1637 weight  0.10000E+01 volume  0.11310E-01 ppm1      4.613 ppm2      8.347 CV     1
 ASSI { 1639}
   (( segid "PAH2" and resid 50   and name HB3 ))
   (  segid "PAH2" and resid 50   and name HD% )
      2.100     0.500     0.500 peak  1639 weight  0.10000E+01 volume  0.11679E-01 ppm1      3.033 ppm2      7.163 CV     1
 OR { 1639}
   (( segid "PAH2" and resid 50   and name HB2 ))
   (  segid "PAH2" and resid 50   and name HD% )
 ASSI { 1642}
   (( segid "PAH2" and resid 51   and name HA  ))
   (( segid "PAH2" and resid 51   and name HD3 ))
      3.200     1.300     1.300 peak  1642 weight  0.10000E+01 volume  0.88661E-03 ppm1      4.304 ppm2      3.162 CV     1
 OR { 1642}
   (( segid "PAH2" and resid 51   and name HA  ))
   (( segid "PAH2" and resid 51   and name HD2 ))
 ASSI { 1643}
   (( segid "PAH2" and resid 51   and name HA  ))
   (( segid "PAH2" and resid 51   and name HB2 ))
      2.100     0.500     0.500 peak  1643 weight  0.10000E+01 volume  0.11359E-01 ppm1      4.306 ppm2      1.799 CV     1
 ASSI { 1646}
   (( segid "PAH2" and resid 51   and name HA  ))
   (( segid "PAH2" and resid 51   and name HN  ))
      2.500     0.800     0.800 peak  1646 weight  0.10000E+01 volume  0.37105E-02 ppm1      4.306 ppm2      8.357 CV     1
 ASSI { 1647}
   (( segid "PAH2" and resid 51   and name HB3 ))
   (( segid "PAH2" and resid 51   and name HD3 ))
      2.600     0.900     0.900 peak  1647 weight  0.10000E+01 volume  0.30441E-02 ppm1      1.675 ppm2      3.155 CV     1
 OR { 1647}
   (( segid "PAH2" and resid 51   and name HB3 ))
   (( segid "PAH2" and resid 51   and name HD2 ))
 ASSI { 1648}
   (( segid "PAH2" and resid 51   and name HB3 ))
   (( segid "PAH2" and resid 51   and name HA  ))
      2.600     0.800     0.800 peak  1648 weight  0.10000E+01 volume  0.33277E-02 ppm1      1.676 ppm2      4.300 CV     1
 ASSI { 1652}
   (( segid "PAH2" and resid 51   and name HB2 ))
   (( segid "PAH2" and resid 51   and name HB3 ))
      1.700     0.300     0.500 peak  1652 weight  0.10000E+01 volume  0.45389E-01 ppm1      1.809 ppm2      1.675 CV     1
 ASSI { 1662}
   (( segid "PAH2" and resid 51   and name HD2 ))
   (( segid "PAH2" and resid 51   and name HG3 ))
      1.800     0.400     0.400 peak  1662 weight  0.10000E+01 volume  0.27649E-01 ppm1      3.152 ppm2      1.564 CV     1
 OR { 1662}
   (( segid "PAH2" and resid 51   and name HD3 ))
   (( segid "PAH2" and resid 51   and name HG2 ))
 OR { 1662}
   (( segid "PAH2" and resid 51   and name HD2 ))
   (( segid "PAH2" and resid 51   and name HG2 ))
 ASSI { 1663}
   (( segid "PAH2" and resid 51   and name HD2 ))
   (( segid "PAH2" and resid 51   and name HB2 ))
      2.000     0.500     0.500 peak  1663 weight  0.10000E+01 volume  0.14016E-01 ppm1      3.152 ppm2      1.799 CV     1
 OR { 1663}
   (( segid "PAH2" and resid 51   and name HD3 ))
   (( segid "PAH2" and resid 51   and name HB2 ))
 ASSI { 1665}
   (( segid "PAH2" and resid 53   and name HA  ))
   (( segid "PAH2" and resid 53   and name HG3 ))
      2.200     0.600     0.600 peak  1665 weight  0.10000E+01 volume  0.85677E-02 ppm1      4.512 ppm2      2.692 CV     1
 OR { 1665}
   (( segid "PAH2" and resid 53   and name HA  ))
   (( segid "PAH2" and resid 53   and name HG2 ))
 ASSI { 1667}
   (( segid "PAH2" and resid 53   and name HA  ))
   (( segid "PAH2" and resid 53   and name HB2 ))
      2.100     0.600     0.600 peak  1667 weight  0.10000E+01 volume  0.99104E-02 ppm1      4.512 ppm2      2.047 CV     1
 ASSI { 1668}
   (( segid "PAH2" and resid 53   and name HA  ))
   (( segid "PAH2" and resid 53   and name HB3 ))
      2.300     0.700     0.700 peak  1668 weight  0.10000E+01 volume  0.62709E-02 ppm1      4.512 ppm2      1.936 CV     1
 ASSI { 1670}
   (( segid "PAH2" and resid 53   and name HA  ))
   (( segid "PAH2" and resid 54   and name HN  ))
      2.000     0.500     0.500 peak  1670 weight  0.10000E+01 volume  0.13277E-01 ppm1      4.512 ppm2      8.976 CV     1
 ASSI { 1671}
   (( segid "PAH2" and resid 53   and name HB3 ))
   (( segid "PAH2" and resid 53   and name HG2 ))
      2.800     1.000     1.000 peak  1671 weight  0.10000E+01 volume  0.19139E-02 ppm1      1.922 ppm2      2.704 CV     1
 OR { 1671}
   (( segid "PAH2" and resid 53   and name HB3 ))
   (( segid "PAH2" and resid 53   and name HG3 ))
 ASSI { 1674}
   (( segid "PAH2" and resid 53   and name HB2 ))
   (( segid "PAH2" and resid 53   and name HG3 ))
      2.700     0.900     0.900 peak  1674 weight  0.10000E+01 volume  0.23415E-02 ppm1      2.033 ppm2      2.704 CV     1
 OR { 1674}
   (( segid "PAH2" and resid 53   and name HB2 ))
   (( segid "PAH2" and resid 53   and name HG2 ))
 ASSI { 1680}
   (( segid "PAH2" and resid 53   and name HG3 ))
   (( segid "PAH2" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1680 weight  0.10000E+01 volume  0.32502E-02 ppm1      2.652 ppm2      4.514 CV     1
 ASSI { 1682}
   (( segid "PAH2" and resid 53   and name HG3 ))
   (( segid "PAH2" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1682 weight  0.10000E+01 volume  0.45054E-03 ppm1      2.652 ppm2      8.976 CV     1
 ASSI { 1687}
   (( segid "PAH2" and resid 53   and name HG2 ))
   (( segid "PAH2" and resid 53   and name HA  ))
      2.800     1.000     1.000 peak  1687 weight  0.10000E+01 volume  0.18215E-02 ppm1      2.733 ppm2      4.514 CV     1
 ASSI { 1688}
   (( segid "PAH2" and resid 53   and name HG2 ))
   (  segid "PAH2" and resid 38   and name HD% )
      4.100     2.100     1.900 peak  1688 weight  0.10000E+01 volume  0.18961E-03 ppm1      2.733 ppm2      6.968 CV     1
 ASSI { 1689}
   (( segid "PAH2" and resid 53   and name HG2 ))
   (( segid "PAH2" and resid 54   and name HN  ))
      4.200     2.200     1.800 peak  1689 weight  0.10000E+01 volume  0.17697E-03 ppm1      2.733 ppm2      8.989 CV     1
 ASSI { 1690}
   (  segid "PAH2" and resid 53   and name HE% )
   (  segid "PAH2" and resid 58   and name HG2%)
      1.900     0.500     0.500 peak  1690 weight  0.10000E+01 volume  0.19558E-01 ppm1      2.069 ppm2      0.783 CV     1
 ASSI { 1692}
   (  segid "PAH2" and resid 53   and name HE% )
   (  segid "PAH2" and resid 37   and name HG2%)
      2.200     0.600     0.600 peak  1692 weight  0.10000E+01 volume  0.82409E-02 ppm1      2.069 ppm2      1.279 CV     1
 ASSI { 1693}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 57   and name HG2 ))
      2.200     0.600     0.600 peak  1693 weight  0.10000E+01 volume  0.82196E-02 ppm1      2.069 ppm2      2.382 CV     1
 OR { 1693}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 57   and name HG3 ))
 ASSI { 1694}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 53   and name HG2 ))
      2.100     0.500     0.500 peak  1694 weight  0.10000E+01 volume  0.11579E-01 ppm1      2.069 ppm2      2.679 CV     1
 OR { 1694}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 53   and name HG3 ))
 ASSI { 1695}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak  1695 weight  0.10000E+01 volume  0.57700E-02 ppm1      2.069 ppm2      3.163 CV     1
 ASSI { 1697}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 38   and name HA  ))
      2.300     0.700     0.700 peak  1697 weight  0.10000E+01 volume  0.65203E-02 ppm1      2.069 ppm2      4.105 CV     1
 ASSI { 1698}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 37   and name HB  ))
      2.300     0.700     0.700 peak  1698 weight  0.10000E+01 volume  0.67114E-02 ppm1      2.069 ppm2      4.464 CV     1
 ASSI { 1700}
   (  segid "PAH2" and resid 53   and name HE% )
   (  segid "PAH2" and resid 38   and name HD% )
      3.200     1.300     1.300 peak  1700 weight  0.10000E+01 volume  0.90579E-03 ppm1      2.069 ppm2      6.968 CV     1
 ASSI { 1701}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  1701 weight  0.10000E+01 volume  0.38086E-02 ppm1      2.070 ppm2      8.048 CV     1
 ASSI { 1702}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1702 weight  0.10000E+01 volume  0.27052E-02 ppm1      2.070 ppm2      8.170 CV     1
 ASSI { 1705}
   (  segid "PAH2" and resid 53   and name HE% )
   (( segid "PAH2" and resid 54   and name HN  ))
      3.600     1.700     1.700 peak  1705 weight  0.10000E+01 volume  0.41680E-03 ppm1      2.069 ppm2      8.989 CV     1
 ASSI { 1706}
   (( segid "PAH2" and resid 54   and name HB3 ))
   (( segid "PAH2" and resid 54   and name HB2 ))
      2.000     0.500     0.500 peak  1706 weight  0.10000E+01 volume  0.14521E-01 ppm1      4.094 ppm2      4.512 CV     1
 ASSI { 1707}
   (( segid "PAH2" and resid 54   and name HB3 ))
   (( segid "PAH2" and resid 54   and name HA  ))
      2.100     0.500     0.500 peak  1707 weight  0.10000E+01 volume  0.12070E-01 ppm1      4.094 ppm2      4.818 CV     1
 ASSI { 1713}
   (( segid "PAH2" and resid 54   and name HB2 ))
   (( segid "PAH2" and resid 54   and name HN  ))
      3.000     1.100     1.100 peak  1713 weight  0.10000E+01 volume  0.14251E-02 ppm1      4.514 ppm2      8.976 CV     1
 ASSI { 1715}
   (( segid "PAH2" and resid 55   and name HA  ))
   (( segid "PAH2" and resid 55   and name HG3 ))
      2.300     0.600     0.600 peak  1715 weight  0.10000E+01 volume  0.69863E-02 ppm1      3.843 ppm2      2.382 CV     1
 OR { 1715}
   (( segid "PAH2" and resid 55   and name HA  ))
   (( segid "PAH2" and resid 55   and name HG2 ))
 ASSI { 1717}
   (( segid "PAH2" and resid 55   and name HA  ))
   (( segid "PAH2" and resid 55   and name HB3 ))
      2.200     0.600     0.600 peak  1717 weight  0.10000E+01 volume  0.74950E-02 ppm1      3.843 ppm2      1.990 CV     1
 ASSI { 1719}
   (( segid "PAH2" and resid 55   and name HA  ))
   (( segid "PAH2" and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  1719 weight  0.10000E+01 volume  0.18584E-02 ppm1      3.843 ppm2      8.088 CV     1
 ASSI { 1720}
   (( segid "PAH2" and resid 55   and name HB3 ))
   (( segid "PAH2" and resid 55   and name HN  ))
      2.900     1.100     1.100 peak  1720 weight  0.10000E+01 volume  0.16155E-02 ppm1      1.990 ppm2      9.162 CV     1
 ASSI { 1722}
   (( segid "PAH2" and resid 55   and name HG2 ))
   (( segid "PAH2" and resid 55   and name HA  ))
      2.900     1.000     1.000 peak  1722 weight  0.10000E+01 volume  0.17484E-02 ppm1      2.334 ppm2      3.843 CV     1
 ASSI { 1723}
   (( segid "PAH2" and resid 55   and name HG3 ))
   (( segid "PAH2" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak  1723 weight  0.10000E+01 volume  0.37503E-02 ppm1      2.424 ppm2      3.843 CV     1
 ASSI { 1726}
   (( segid "PAH2" and resid 56   and name HA  ))
   (( segid "PAH2" and resid 59   and name HB3 ))
      2.800     1.000     1.000 peak  1726 weight  0.10000E+01 volume  0.21469E-02 ppm1      4.041 ppm2      3.305 CV     1
 ASSI { 1727}
   (( segid "PAH2" and resid 56   and name HA  ))
   (( segid "PAH2" and resid 59   and name HB2 ))
      3.400     1.500     1.500 peak  1727 weight  0.10000E+01 volume  0.58020E-03 ppm1      4.040 ppm2      3.076 CV     1
 ASSI { 1733}
   (( segid "PAH2" and resid 58   and name HA  ))
   (( segid "PAH2" and resid 57   and name HG3 ))
      2.900     1.000     1.000 peak  1733 weight  0.10000E+01 volume  0.16986E-02 ppm1      3.583 ppm2      2.382 CV     1
 OR { 1733}
   (( segid "PAH2" and resid 58   and name HA  ))
   (( segid "PAH2" and resid 57   and name HG2 ))
 ASSI { 1735}
   (( segid "PAH2" and resid 58   and name HA  ))
   (  segid "PAH2" and resid 58   and name HG2%)
      1.900     0.500     0.500 peak  1735 weight  0.10000E+01 volume  0.17597E-01 ppm1      3.583 ppm2      0.795 CV     1
 OR { 1735}
   (( segid "PAH2" and resid 58   and name HA  ))
   (  segid "PAH2" and resid 58   and name HG1%)
 ASSI { 1737}
   (( segid "PAH2" and resid 58   and name HA  ))
   (( segid "PAH2" and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  1737 weight  0.10000E+01 volume  0.33716E-02 ppm1      3.583 ppm2      8.088 CV     1
 ASSI { 1739}
   (( segid "PAH2" and resid 58   and name HB  ))
   (  segid "PAH2" and resid 58   and name HG2%)
      2.100     0.500     0.500 peak  1739 weight  0.10000E+01 volume  0.11672E-01 ppm1      2.151 ppm2      0.820 CV     1
 OR { 1739}
   (( segid "PAH2" and resid 58   and name HB  ))
   (  segid "PAH2" and resid 58   and name HG1%)
 ASSI { 1740}
   (( segid "PAH2" and resid 58   and name HB  ))
   (( segid "PAH2" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  1740 weight  0.10000E+01 volume  0.17341E-02 ppm1      2.151 ppm2      3.584 CV     1
 ASSI { 1741}
   (( segid "PAH2" and resid 58   and name HB  ))
   (( segid "PAH2" and resid 55   and name HA  ))
      2.900     1.100     1.100 peak  1741 weight  0.10000E+01 volume  0.15267E-02 ppm1      2.151 ppm2      3.843 CV     1
 ASSI { 1742}
   (( segid "PAH2" and resid 58   and name HB  ))
   (( segid "PAH2" and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  1742 weight  0.10000E+01 volume  0.39862E-02 ppm1      2.151 ppm2      8.088 CV     1
 ASSI { 1745}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 58   and name HB  ))
      2.100     0.600     0.600 peak  1745 weight  0.10000E+01 volume  0.10408E-01 ppm1      0.791 ppm2      2.146 CV     1
 ASSI { 1747}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 58   and name HA  ))
      2.500     0.800     0.800 peak  1747 weight  0.10000E+01 volume  0.36338E-02 ppm1      0.791 ppm2      3.584 CV     1
 ASSI { 1748}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  1748 weight  0.10000E+01 volume  0.34142E-02 ppm1      0.791 ppm2      3.845 CV     1
 ASSI { 1750}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 76   and name HZ  ))
      2.200     0.600     0.600 peak  1750 weight  0.10000E+01 volume  0.75091E-02 ppm1      0.791 ppm2      6.832 CV     1
 ASSI { 1751}
   (  segid "PAH2" and resid 58   and name HG1%)
   (  segid "PAH2" and resid 76   and name HE% )
      2.300     0.700     0.700 peak  1751 weight  0.10000E+01 volume  0.62532E-02 ppm1      0.791 ppm2      7.092 CV     1
 ASSI { 1754}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 59   and name HN  ))
      2.600     0.900     0.900 peak  1754 weight  0.10000E+01 volume  0.30399E-02 ppm1      0.791 ppm2      8.369 CV     1
 ASSI { 1761}
   (  segid "PAH2" and resid 58   and name HG2%)
   (( segid "PAH2" and resid 59   and name HN  ))
      3.000     1.100     1.100 peak  1761 weight  0.10000E+01 volume  0.14408E-02 ppm1      0.841 ppm2      8.369 CV     1
 ASSI { 1763}
   (  segid "PAH2" and resid 58   and name HG2%)
   (( segid "PAH2" and resid 58   and name HA  ))
      2.300     0.700     0.700 peak  1763 weight  0.10000E+01 volume  0.57260E-02 ppm1      0.841 ppm2      3.584 CV     1
 ASSI { 1767}
   (( segid "PAH2" and resid 59   and name HA  ))
   (( segid "PAH2" and resid 59   and name HB3 ))
      2.600     0.900     0.900 peak  1767 weight  0.10000E+01 volume  0.29625E-02 ppm1      3.986 ppm2      3.312 CV     1
 ASSI { 1768}
   (( segid "PAH2" and resid 59   and name HA  ))
   (( segid "PAH2" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak  1768 weight  0.10000E+01 volume  0.46959E-02 ppm1      3.986 ppm2      3.076 CV     1
 ASSI { 1769}
   (( segid "PAH2" and resid 59   and name HA  ))
   (( segid "PAH2" and resid 62   and name HB  ))
      2.700     0.900     0.900 peak  1769 weight  0.10000E+01 volume  0.25703E-02 ppm1      3.986 ppm2      1.539 CV     1
 ASSI { 1770}
   (( segid "PAH2" and resid 59   and name HA  ))
   (  segid "PAH2" and resid 58   and name HG1%)
      2.700     0.900     0.900 peak  1770 weight  0.10000E+01 volume  0.27642E-02 ppm1      3.986 ppm2      0.783 CV     1
 ASSI { 1771}
   (( segid "PAH2" and resid 59   and name HA  ))
   (  segid "PAH2" and resid 62   and name HG2%)
      3.000     1.100     1.100 peak  1771 weight  0.10000E+01 volume  0.13057E-02 ppm1      3.986 ppm2      0.585 CV     1
 ASSI { 1772}
   (( segid "PAH2" and resid 59   and name HA  ))
   (  segid "PAH2" and resid 76   and name HE% )
      2.300     0.700     0.700 peak  1772 weight  0.10000E+01 volume  0.63548E-02 ppm1      3.986 ppm2      7.129 CV     1
 ASSI { 1773}
   (( segid "PAH2" and resid 59   and name HA  ))
   (  segid "PAH2" and resid 76   and name HD% )
      3.200     1.200     1.200 peak  1773 weight  0.10000E+01 volume  0.96617E-03 ppm1      3.986 ppm2      7.390 CV     1
 ASSI { 1776}
   (( segid "PAH2" and resid 59   and name HB2 ))
   (  segid "PAH2" and resid 80   and name HD1%)
      3.000     1.200     1.200 peak  1776 weight  0.10000E+01 volume  0.12233E-02 ppm1      3.062 ppm2      0.707 CV     1
 ASSI { 1780}
   (( segid "PAH2" and resid 59   and name HB3 ))
   (( segid "PAH2" and resid 59   and name HB2 ))
      1.800     0.400     0.400 peak  1780 weight  0.10000E+01 volume  0.28068E-01 ppm1      3.303 ppm2      3.064 CV     1
 ASSI { 1783}
   (( segid "PAH2" and resid 60   and name HA  ))
   (( segid "PAH2" and resid 60   and name HB  ))
      2.600     0.800     0.800 peak  1783 weight  0.10000E+01 volume  0.34242E-02 ppm1      3.778 ppm2      4.342 CV     1
 ASSI { 1785}
   (( segid "PAH2" and resid 60   and name HA  ))
   (  segid "PAH2" and resid 76   and name HE% )
      4.000     2.000     2.000 peak  1785 weight  0.10000E+01 volume  0.22030E-03 ppm1      3.778 ppm2      7.156 CV     1
 ASSI { 1786}
   (( segid "PAH2" and resid 60   and name HA  ))
   (( segid "PAH2" and resid 64   and name HN  ))
      4.100     2.100     1.900 peak  1786 weight  0.10000E+01 volume  0.20460E-03 ppm1      3.778 ppm2      7.564 CV     1
 ASSI { 1787}
   (( segid "PAH2" and resid 60   and name HA  ))
   (( segid "PAH2" and resid 61   and name HN  ))
      3.500     1.500     1.500 peak  1787 weight  0.10000E+01 volume  0.53729E-03 ppm1      3.778 ppm2      7.996 CV     1
 ASSI { 1788}
   (( segid "PAH2" and resid 60   and name HA  ))
   (( segid "PAH2" and resid 60   and name HN  ))
      2.500     0.800     0.800 peak  1788 weight  0.10000E+01 volume  0.39236E-02 ppm1      3.778 ppm2      8.354 CV     1
 ASSI { 1789}
   (( segid "PAH2" and resid 60   and name HA  ))
   (( segid "PAH2" and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1789 weight  0.10000E+01 volume  0.10770E-02 ppm1      3.778 ppm2      8.737 CV     1
 ASSI { 1790}
   (( segid "PAH2" and resid 60   and name HB  ))
   (( segid "PAH2" and resid 57   and name HA  ))
      2.600     0.800     0.800 peak  1790 weight  0.10000E+01 volume  0.34675E-02 ppm1      4.328 ppm2      4.082 CV     1
 ASSI { 1792}
   (( segid "PAH2" and resid 60   and name HB  ))
   (( segid "PAH2" and resid 57   and name HG3 ))
      3.200     1.300     1.300 peak  1792 weight  0.10000E+01 volume  0.87381E-03 ppm1      4.328 ppm2      2.379 CV     1
 OR { 1792}
   (( segid "PAH2" and resid 60   and name HB  ))
   (( segid "PAH2" and resid 57   and name HG2 ))
 ASSI { 1793}
   (( segid "PAH2" and resid 60   and name HB  ))
   (( segid "PAH2" and resid 61   and name HB2 ))
      3.700     1.700     1.700 peak  1793 weight  0.10000E+01 volume  0.37474E-03 ppm1      4.328 ppm2      2.045 CV     1
 OR { 1793}
   (( segid "PAH2" and resid 60   and name HB  ))
   (( segid "PAH2" and resid 61   and name HB3 ))
 ASSI { 1794}
   (( segid "PAH2" and resid 60   and name HB  ))
   (  segid "PAH2" and resid 60   and name HG2%)
      2.100     0.500     0.500 peak  1794 weight  0.10000E+01 volume  0.11900E-01 ppm1      4.328 ppm2      1.255 CV     1
 ASSI { 1797}
   (  segid "PAH2" and resid 60   and name HG2%)
   (( segid "PAH2" and resid 60   and name HA  ))
      2.000     0.500     0.500 peak  1797 weight  0.10000E+01 volume  0.12987E-01 ppm1      1.247 ppm2      3.786 CV     1
 ASSI { 1800}
   (  segid "PAH2" and resid 60   and name HG2%)
   (( segid "PAH2" and resid 64   and name HD22))
      2.800     1.000     1.000 peak  1800 weight  0.10000E+01 volume  0.18905E-02 ppm1      1.249 ppm2      6.920 CV     1
 ASSI { 1801}
   (  segid "PAH2" and resid 60   and name HG2%)
   (( segid "PAH2" and resid 64   and name HD21))
      2.900     1.000     1.000 peak  1801 weight  0.10000E+01 volume  0.16538E-02 ppm1      1.248 ppm2      7.700 CV     1
 ASSI { 1802}
   (  segid "PAH2" and resid 60   and name HG2%)
   (( segid "PAH2" and resid 61   and name HN  ))
      2.600     0.900     0.900 peak  1802 weight  0.10000E+01 volume  0.27827E-02 ppm1      1.250 ppm2      7.993 CV     1
 ASSI { 1804}
   (( segid "PAH2" and resid 62   and name HA  ))
   (( segid "PAH2" and resid 62   and name HB  ))
      2.400     0.700     0.700 peak  1804 weight  0.10000E+01 volume  0.48344E-02 ppm1      2.977 ppm2      1.539 CV     1
 ASSI { 1806}
   (( segid "PAH2" and resid 62   and name HA  ))
   (  segid "PAH2" and resid 62   and name HG2%)
      2.200     0.600     0.600 peak  1806 weight  0.10000E+01 volume  0.86458E-02 ppm1      2.977 ppm2      0.564 CV     1
 ASSI { 1807}
   (( segid "PAH2" and resid 62   and name HA  ))
   (  segid "PAH2" and resid 62   and name HG1%)
      2.400     0.700     0.700 peak  1807 weight  0.10000E+01 volume  0.56805E-02 ppm1      2.977 ppm2     -0.227 CV     1
 ASSI { 1810}
   (( segid "PAH2" and resid 62   and name HA  ))
   (( segid "PAH2" and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  1810 weight  0.10000E+01 volume  0.24602E-02 ppm1      2.977 ppm2      8.379 CV     1
 ASSI { 1811}
   (( segid "PAH2" and resid 62   and name HA  ))
   (( segid "PAH2" and resid 63   and name HN  ))
      3.200     1.300     1.300 peak  1811 weight  0.10000E+01 volume  0.93278E-03 ppm1      2.975 ppm2      8.726 CV     1
 ASSI { 1817}
   (  segid "PAH2" and resid 62   and name HG1%)
   (  segid "PAH2" and resid 62   and name HG2%)
      2.000     0.500     0.500 peak  1817 weight  0.10000E+01 volume  0.13164E-01 ppm1     -0.228 ppm2      0.551 CV     1
 ASSI { 1818}
   (  segid "PAH2" and resid 62   and name HG1%)
   (  segid "PAH2" and resid 73   and name HD1%)
      2.200     0.600     0.600 peak  1818 weight  0.10000E+01 volume  0.92781E-02 ppm1     -0.228 ppm2      0.823 CV     1
 OR { 1818}
   (  segid "PAH2" and resid 62   and name HG1%)
   (  segid "PAH2" and resid 73   and name HD2%)
 ASSI { 1819}
   (  segid "PAH2" and resid 62   and name HG1%)
   (( segid "PAH2" and resid 62   and name HB  ))
      2.200     0.600     0.600 peak  1819 weight  0.10000E+01 volume  0.84256E-02 ppm1     -0.228 ppm2      1.539 CV     1
 ASSI { 1821}
   (  segid "PAH2" and resid 62   and name HG1%)
   (  segid "PAH2" and resid 66   and name HD% )
      2.700     0.900     0.900 peak  1821 weight  0.10000E+01 volume  0.27693E-02 ppm1     -0.225 ppm2      6.640 CV     1
 ASSI { 1822}
   (  segid "PAH2" and resid 62   and name HG1%)
   (  segid "PAH2" and resid 31   and name HD% )
      2.300     0.600     0.600 peak  1822 weight  0.10000E+01 volume  0.70381E-02 ppm1     -0.225 ppm2      6.873 CV     1
 ASSI { 1823}
   (  segid "PAH2" and resid 62   and name HG1%)
   (  segid "PAH2" and resid 76   and name HE% )
      3.000     1.200     1.200 peak  1823 weight  0.10000E+01 volume  0.12284E-02 ppm1     -0.223 ppm2      7.122 CV     1
 ASSI { 1824}
   (  segid "PAH2" and resid 62   and name HG1%)
   (  segid "PAH2" and resid 76   and name HD% )
      3.400     1.500     1.500 peak  1824 weight  0.10000E+01 volume  0.57046E-03 ppm1     -0.223 ppm2      7.370 CV     1
 ASSI { 1825}
   (  segid "PAH2" and resid 62   and name HG1%)
   (( segid "PAH2" and resid 62   and name HN  ))
      3.000     1.100     1.100 peak  1825 weight  0.10000E+01 volume  0.12866E-02 ppm1     -0.225 ppm2      8.361 CV     1
 ASSI { 1828}
   (  segid "PAH2" and resid 62   and name HG2%)
   (( segid "PAH2" and resid 62   and name HB  ))
      2.200     0.600     0.600 peak  1828 weight  0.10000E+01 volume  0.86316E-02 ppm1      0.553 ppm2      1.539 CV     1
 ASSI { 1829}
   (  segid "PAH2" and resid 62   and name HG2%)
   (( segid "PAH2" and resid 61   and name HB2 ))
      3.100     1.200     1.200 peak  1829 weight  0.10000E+01 volume  0.10940E-02 ppm1      0.553 ppm2      2.045 CV     1
 OR { 1829}
   (  segid "PAH2" and resid 62   and name HG2%)
   (( segid "PAH2" and resid 61   and name HB3 ))
 ASSI { 1832}
   (  segid "PAH2" and resid 62   and name HG2%)
   (  segid "PAH2" and resid 31   and name HD% )
      2.100     0.600     0.600 peak  1832 weight  0.10000E+01 volume  0.10287E-01 ppm1      0.551 ppm2      6.862 CV     1
 ASSI { 1833}
   (  segid "PAH2" and resid 62   and name HG2%)
   (  segid "PAH2" and resid 76   and name HE% )
      2.600     0.800     0.800 peak  1833 weight  0.10000E+01 volume  0.33283E-02 ppm1      0.553 ppm2      7.107 CV     1
 ASSI { 1838}
   (( segid "PAH2" and resid 63   and name HA  ))
   (( segid "PAH2" and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  1838 weight  0.10000E+01 volume  0.95196E-03 ppm1      3.760 ppm2      7.564 CV     1
 ASSI { 1840}
   (( segid "PAH2" and resid 63   and name HA  ))
   (( segid "PAH2" and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak  1840 weight  0.10000E+01 volume  0.11281E-02 ppm1      3.761 ppm2      2.922 CV     1
 ASSI { 1841}
   (( segid "PAH2" and resid 63   and name HA  ))
   (  segid "PAH2" and resid 63   and name HB% )
      2.000     0.500     0.500 peak  1841 weight  0.10000E+01 volume  0.17128E-01 ppm1      3.761 ppm2      1.178 CV     1
 ASSI { 1842}
   (( segid "PAH2" and resid 63   and name HA  ))
   (  segid "PAH2" and resid 73   and name HD2%)
      2.100     0.500     0.500 peak  1842 weight  0.10000E+01 volume  0.12624E-01 ppm1      3.760 ppm2      0.885 CV     1
 OR { 1842}
   (( segid "PAH2" and resid 63   and name HA  ))
   (  segid "PAH2" and resid 73   and name HD1%)
 ASSI { 1843}
   (( segid "PAH2" and resid 63   and name HA  ))
   (  segid "PAH2" and resid 62   and name HG1%)
      3.600     1.600     1.600 peak  1843 weight  0.10000E+01 volume  0.43882E-03 ppm1      3.760 ppm2     -0.227 CV     1
 ASSI { 1844}
   (  segid "PAH2" and resid 63   and name HB% )
   (  segid "PAH2" and resid 73   and name HD1%)
      2.100     0.500     0.500 peak  1844 weight  0.10000E+01 volume  0.11999E-01 ppm1      1.176 ppm2      0.858 CV     1
 ASSI { 1845}
   (  segid "PAH2" and resid 63   and name HB% )
   (  segid "PAH2" and resid 62   and name HG1%)
      3.600     1.600     1.600 peak  1845 weight  0.10000E+01 volume  0.45531E-03 ppm1      1.176 ppm2     -0.226 CV     1
 ASSI { 1846}
   (  segid "PAH2" and resid 63   and name HB% )
   (( segid "PAH2" and resid 64   and name HB2 ))
      3.100     1.200     1.200 peak  1846 weight  0.10000E+01 volume  0.98819E-03 ppm1      1.178 ppm2      2.835 CV     1
 OR { 1846}
   (  segid "PAH2" and resid 63   and name HB% )
   (( segid "PAH2" and resid 64   and name HB3 ))
 ASSI { 1854}
   (( segid "PAH2" and resid 64   and name HA  ))
   (( segid "PAH2" and resid 64   and name HB3 ))
      1.900     0.500     0.500 peak  1854 weight  0.10000E+01 volume  0.19501E-01 ppm1      4.443 ppm2      2.823 CV     1
 OR { 1854}
   (( segid "PAH2" and resid 64   and name HA  ))
   (( segid "PAH2" and resid 64   and name HB2 ))
 ASSI { 1856}
   (( segid "PAH2" and resid 64   and name HA  ))
   (( segid "PAH2" and resid 67   and name HB2 ))
      2.600     0.800     0.800 peak  1856 weight  0.10000E+01 volume  0.33120E-02 ppm1      4.443 ppm2      1.835 CV     1
 ASSI { 1857}
   (( segid "PAH2" and resid 64   and name HA  ))
   (  segid "PAH2" and resid 63   and name HB% )
      3.100     1.200     1.200 peak  1857 weight  0.10000E+01 volume  0.10017E-02 ppm1      4.443 ppm2      1.206 CV     1
 ASSI { 1860}
   (( segid "PAH2" and resid 65   and name HA  ))
   (( segid "PAH2" and resid 65   and name HN  ))
      2.400     0.700     0.700 peak  1860 weight  0.10000E+01 volume  0.51008E-02 ppm1      4.045 ppm2      7.564 CV     1
 ASSI { 1861}
   (( segid "PAH2" and resid 65   and name HA  ))
   (  segid "PAH2" and resid 65   and name HD2%)
      2.000     0.500     0.500 peak  1861 weight  0.10000E+01 volume  0.17278E-01 ppm1      4.045 ppm2      0.798 CV     1
 ASSI { 1862}
   (( segid "PAH2" and resid 65   and name HA  ))
   (( segid "PAH2" and resid 65   and name HB3 ))
      2.100     0.600     0.600 peak  1862 weight  0.10000E+01 volume  0.10145E-01 ppm1      4.045 ppm2      1.403 CV     1
 OR { 1862}
   (( segid "PAH2" and resid 65   and name HA  ))
   (( segid "PAH2" and resid 65   and name HB2 ))
 ASSI { 1863}
   (( segid "PAH2" and resid 65   and name HA  ))
   (( segid "PAH2" and resid 65   and name HG  ))
      2.200     0.600     0.600 peak  1863 weight  0.10000E+01 volume  0.91857E-02 ppm1      4.045 ppm2      1.527 CV     1
 ASSI { 1865}
   (( segid "PAH2" and resid 65   and name HB2 ))
   (( segid "PAH2" and resid 65   and name HA  ))
      2.700     0.900     0.900 peak  1865 weight  0.10000E+01 volume  0.22989E-02 ppm1      1.372 ppm2      4.058 CV     1
 ASSI { 1867}
   (( segid "PAH2" and resid 65   and name HB2 ))
   (( segid "PAH2" and resid 66   and name HN  ))
      3.000     1.100     1.100 peak  1867 weight  0.10000E+01 volume  0.12688E-02 ppm1      1.372 ppm2      8.231 CV     1
 ASSI { 1868}
   (( segid "PAH2" and resid 65   and name HB2 ))
   (  segid "PAH2" and resid 65   and name HD1%)
      2.000     0.500     0.500 peak  1868 weight  0.10000E+01 volume  0.14621E-01 ppm1      1.372 ppm2      0.798 CV     1
 ASSI { 1869}
   (( segid "PAH2" and resid 65   and name HB3 ))
   (  segid "PAH2" and resid 65   and name HD2%)
      2.000     0.500     0.500 peak  1869 weight  0.10000E+01 volume  0.17186E-01 ppm1      1.472 ppm2      0.798 CV     1
 OR { 1869}
   (( segid "PAH2" and resid 65   and name HB3 ))
   (  segid "PAH2" and resid 65   and name HD1%)
 ASSI { 1870}
   (( segid "PAH2" and resid 65   and name HB3 ))
   (( segid "PAH2" and resid 65   and name HA  ))
      2.600     0.900     0.900 peak  1870 weight  0.10000E+01 volume  0.30207E-02 ppm1      1.472 ppm2      4.058 CV     1
 ASSI { 1871}
   (( segid "PAH2" and resid 65   and name HB3 ))
   (( segid "PAH2" and resid 65   and name HN  ))
      2.500     0.800     0.800 peak  1871 weight  0.10000E+01 volume  0.42206E-02 ppm1      1.472 ppm2      7.564 CV     1
 ASSI { 1872}
   (( segid "PAH2" and resid 65   and name HB3 ))
   (( segid "PAH2" and resid 66   and name HN  ))
      3.100     1.200     1.200 peak  1872 weight  0.10000E+01 volume  0.11892E-02 ppm1      1.472 ppm2      8.231 CV     1
 ASSI { 1873}
   (( segid "PAH2" and resid 65   and name HG  ))
   (  segid "PAH2" and resid 65   and name HD1%)
      2.000     0.500     0.500 peak  1873 weight  0.10000E+01 volume  0.13441E-01 ppm1      1.589 ppm2      0.798 CV     1
 OR { 1873}
   (( segid "PAH2" and resid 65   and name HG  ))
   (  segid "PAH2" and resid 65   and name HD2%)
 ASSI { 1876}
   (  segid "PAH2" and resid 65   and name HD2%)
   (  segid "PAH2" and resid 27   and name HG2%)
      2.500     0.800     0.800 peak  1876 weight  0.10000E+01 volume  0.35891E-02 ppm1      0.774 ppm2     -0.017 CV     1
 ASSI { 1877}
   (  segid "PAH2" and resid 65   and name HD2%)
   (( segid "PAH2" and resid 65   and name HB3 ))
      2.100     0.600     0.600 peak  1877 weight  0.10000E+01 volume  0.10976E-01 ppm1      0.774 ppm2      1.416 CV     1
 ASSI { 1878}
   (  segid "PAH2" and resid 65   and name HD2%)
   (( segid "PAH2" and resid 65   and name HG  ))
      2.100     0.500     0.500 peak  1878 weight  0.10000E+01 volume  0.11907E-01 ppm1      0.774 ppm2      1.576 CV     1
 ASSI { 1881}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 31   and name HB3 ))
      3.000     1.200     1.200 peak  1881 weight  0.10000E+01 volume  0.12169E-02 ppm1      0.774 ppm2      3.514 CV     1
 ASSI { 1882}
   (  segid "PAH2" and resid 65   and name HD2%)
   (( segid "PAH2" and resid 27   and name HA  ))
      2.800     1.000     1.000 peak  1882 weight  0.10000E+01 volume  0.19572E-02 ppm1      0.774 ppm2      3.700 CV     1
 ASSI { 1885}
   (  segid "PAH2" and resid 65   and name HD2%)
   (  segid "PAH2" and resid 66   and name HD% )
      2.600     0.900     0.900 peak  1885 weight  0.10000E+01 volume  0.30094E-02 ppm1      0.774 ppm2      6.647 CV     1
 ASSI { 1886}
   (  segid "PAH2" and resid 65   and name HD1%)
   (  segid "PAH2" and resid 31   and name HD% )
      2.400     0.800     0.800 peak  1886 weight  0.10000E+01 volume  0.44487E-02 ppm1      0.774 ppm2      6.848 CV     1
 ASSI { 1891}
   (  segid "PAH2" and resid 65   and name HD1%)
   (  segid "PAH2" and resid 27   and name HG2%)
      2.500     0.800     0.800 peak  1891 weight  0.10000E+01 volume  0.35926E-02 ppm1      0.829 ppm2     -0.017 CV     1
 ASSI { 1892}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak  1892 weight  0.10000E+01 volume  0.92710E-02 ppm1      0.829 ppm2      1.416 CV     1
 OR { 1892}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 65   and name HB3 ))
 ASSI { 1893}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 65   and name HG  ))
      2.000     0.500     0.500 peak  1893 weight  0.10000E+01 volume  0.13093E-01 ppm1      0.829 ppm2      1.576 CV     1
 ASSI { 1896}
   (  segid "PAH2" and resid 73   and name HD2%)
   (( segid "PAH2" and resid 66   and name HB3 ))
      2.700     0.900     0.900 peak  1896 weight  0.10000E+01 volume  0.25632E-02 ppm1      0.829 ppm2      3.700 CV     1
 ASSI { 1897}
   (  segid "PAH2" and resid 73   and name HD2%)
   (( segid "PAH2" and resid 70   and name HA  ))
      2.200     0.600     0.600 peak  1897 weight  0.10000E+01 volume  0.81201E-02 ppm1      0.829 ppm2      3.897 CV     1
 ASSI { 1899}
   (  segid "PAH2" and resid 65   and name HD1%)
   (  segid "PAH2" and resid 66   and name HD% )
      3.000     1.100     1.100 peak  1899 weight  0.10000E+01 volume  0.13803E-02 ppm1      0.831 ppm2      6.622 CV     1
 ASSI { 1901}
   (  segid "PAH2" and resid 73   and name HD2%)
   (  segid "PAH2" and resid 76   and name HD% )
      3.500     1.500     1.500 peak  1901 weight  0.10000E+01 volume  0.50689E-03 ppm1      0.829 ppm2      7.329 CV     1
 ASSI { 1902}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 65   and name HN  ))
      2.800     1.000     1.000 peak  1902 weight  0.10000E+01 volume  0.19828E-02 ppm1      0.830 ppm2      7.553 CV     1
 ASSI { 1904}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 66   and name HN  ))
      2.900     1.000     1.000 peak  1904 weight  0.10000E+01 volume  0.17676E-02 ppm1      0.829 ppm2      8.255 CV     1
 ASSI { 1905}
   (( segid "PAH2" and resid 66   and name HB2 ))
   (( segid "PAH2" and resid 66   and name HB3 ))
      2.200     0.600     0.600 peak  1905 weight  0.10000E+01 volume  0.76797E-02 ppm1      2.917 ppm2      3.700 CV     1
 ASSI { 1906}
   (( segid "PAH2" and resid 66   and name HB2 ))
   (( segid "PAH2" and resid 66   and name HA  ))
      4.300     2.300     1.700 peak  1906 weight  0.10000E+01 volume  0.15921E-03 ppm1      2.917 ppm2      4.909 CV     1
 ASSI { 1910}
   (( segid "PAH2" and resid 66   and name HB3 ))
   (( segid "PAH2" and resid 69   and name HB2 ))
      3.700     1.800     1.800 peak  1910 weight  0.10000E+01 volume  0.34860E-03 ppm1      3.694 ppm2      1.848 CV     1
 OR { 1910}
   (( segid "PAH2" and resid 66   and name HB3 ))
   (( segid "PAH2" and resid 69   and name HB3 ))
 ASSI { 1911}
   (( segid "PAH2" and resid 66   and name HB3 ))
   (( segid "PAH2" and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  1911 weight  0.10000E+01 volume  0.92852E-03 ppm1      3.694 ppm2      4.897 CV     1
 ASSI { 1913}
   (( segid "PAH2" and resid 66   and name HB3 ))
   (( segid "PAH2" and resid 66   and name HN  ))
      3.300     1.400     1.400 peak  1913 weight  0.10000E+01 volume  0.76015E-03 ppm1      3.694 ppm2      8.243 CV     1
 ASSI { 1918}
   (( segid "PAH2" and resid 67   and name HA  ))
   (( segid "PAH2" and resid 67   and name HD3 ))
      3.500     1.500     1.500 peak  1918 weight  0.10000E+01 volume  0.52877E-03 ppm1      4.128 ppm2      3.292 CV     1
 OR { 1918}
   (( segid "PAH2" and resid 67   and name HA  ))
   (( segid "PAH2" and resid 67   and name HD2 ))
 ASSI { 1920}
   (( segid "PAH2" and resid 67   and name HA  ))
   (( segid "PAH2" and resid 67   and name HB2 ))
      2.000     0.500     0.500 peak  1920 weight  0.10000E+01 volume  0.13256E-01 ppm1      4.128 ppm2      1.860 CV     1
 OR { 1920}
   (( segid "PAH2" and resid 67   and name HA  ))
   (( segid "PAH2" and resid 67   and name HG3 ))
 ASSI { 1921}
   (( segid "PAH2" and resid 67   and name HA  ))
   (( segid "PAH2" and resid 67   and name HG2 ))
      2.700     0.900     0.900 peak  1921 weight  0.10000E+01 volume  0.24161E-02 ppm1      4.128 ppm2      1.724 CV     1
 ASSI { 1922}
   (( segid "PAH2" and resid 67   and name HB2 ))
   (( segid "PAH2" and resid 67   and name HD3 ))
      2.700     0.900     0.900 peak  1922 weight  0.10000E+01 volume  0.27735E-02 ppm1      1.862 ppm2      3.292 CV     1
 OR { 1922}
   (( segid "PAH2" and resid 67   and name HB2 ))
   (( segid "PAH2" and resid 67   and name HD2 ))
 ASSI { 1923}
   (( segid "PAH2" and resid 67   and name HB2 ))
   (( segid "PAH2" and resid 67   and name HA  ))
      2.500     0.800     0.800 peak  1923 weight  0.10000E+01 volume  0.40565E-02 ppm1      1.862 ppm2      4.132 CV     1
 ASSI { 1925}
   (( segid "PAH2" and resid 67   and name HB3 ))
   (( segid "PAH2" and resid 67   and name HD3 ))
      2.700     0.900     0.900 peak  1925 weight  0.10000E+01 volume  0.25880E-02 ppm1      2.005 ppm2      3.292 CV     1
 OR { 1925}
   (( segid "PAH2" and resid 67   and name HB3 ))
   (( segid "PAH2" and resid 67   and name HD2 ))
 ASSI { 1927}
   (( segid "PAH2" and resid 67   and name HG2 ))
   (( segid "PAH2" and resid 67   and name HD2 ))
      2.200     0.600     0.600 peak  1927 weight  0.10000E+01 volume  0.75802E-02 ppm1      1.724 ppm2      3.292 CV     1
 OR { 1927}
   (( segid "PAH2" and resid 67   and name HG2 ))
   (( segid "PAH2" and resid 67   and name HD3 ))
 ASSI { 1930}
   (( segid "PAH2" and resid 67   and name HG3 ))
   (( segid "PAH2" and resid 67   and name HD2 ))
      2.400     0.700     0.700 peak  1930 weight  0.10000E+01 volume  0.56812E-02 ppm1      1.827 ppm2      3.292 CV     1
 OR { 1930}
   (( segid "PAH2" and resid 67   and name HG3 ))
   (( segid "PAH2" and resid 67   and name HD3 ))
 ASSI { 1931}
   (( segid "PAH2" and resid 67   and name HG3 ))
   (( segid "PAH2" and resid 67   and name HA  ))
      2.900     1.100     1.100 peak  1931 weight  0.10000E+01 volume  0.15160E-02 ppm1      1.827 ppm2      4.132 CV     1
 ASSI { 1934}
   (( segid "PAH2" and resid 67   and name HD2 ))
   (( segid "PAH2" and resid 67   and name HG3 ))
      2.100     0.600     0.600 peak  1934 weight  0.10000E+01 volume  0.10742E-01 ppm1      3.275 ppm2      1.835 CV     1
 OR { 1934}
   (( segid "PAH2" and resid 67   and name HD3 ))
   (( segid "PAH2" and resid 67   and name HG3 ))
 OR { 1934}
   (( segid "PAH2" and resid 67   and name HD2 ))
   (( segid "PAH2" and resid 67   and name HB2 ))
 ASSI { 1939}
   (( segid "PAH2" and resid 68   and name HA2 ))
   (( segid "PAH2" and resid 68   and name HA1 ))
      1.800     0.400     0.400 peak  1939 weight  0.10000E+01 volume  0.24553E-01 ppm1      3.898 ppm2      4.343 CV     1
 ASSI { 1945}
   (( segid "PAH2" and resid 70   and name HA  ))
   (( segid "PAH2" and resid 73   and name HN  ))
      2.900     1.000     1.000 peak  1945 weight  0.10000E+01 volume  0.16453E-02 ppm1      3.938 ppm2      7.896 CV     1
 ASSI { 1949}
   (( segid "PAH2" and resid 70   and name HA  ))
   (( segid "PAH2" and resid 73   and name HB2 ))
      2.400     0.700     0.700 peak  1949 weight  0.10000E+01 volume  0.55079E-02 ppm1      3.938 ppm2      1.859 CV     1
 ASSI { 1950}
   (( segid "PAH2" and resid 70   and name HA  ))
   (( segid "PAH2" and resid 70   and name HB3 ))
      1.900     0.500     0.500 peak  1950 weight  0.10000E+01 volume  0.20013E-01 ppm1      3.938 ppm2      2.142 CV     1
 OR { 1950}
   (( segid "PAH2" and resid 70   and name HA  ))
   (( segid "PAH2" and resid 70   and name HB2 ))
 ASSI { 1952}
   (( segid "PAH2" and resid 70   and name HA  ))
   (( segid "PAH2" and resid 70   and name HG3 ))
      2.600     0.800     0.800 peak  1952 weight  0.10000E+01 volume  0.30789E-02 ppm1      3.938 ppm2      2.560 CV     1
 ASSI { 1953}
   (( segid "PAH2" and resid 70   and name HB2 ))
   (( segid "PAH2" and resid 70   and name HN  ))
      2.200     0.600     0.600 peak  1953 weight  0.10000E+01 volume  0.84185E-02 ppm1      2.140 ppm2      8.615 CV     1
 ASSI { 1955}
   (( segid "PAH2" and resid 70   and name HG2 ))
   (( segid "PAH2" and resid 70   and name HA  ))
      2.300     0.600     0.600 peak  1955 weight  0.10000E+01 volume  0.72108E-02 ppm1      2.387 ppm2      3.937 CV     1
 ASSI { 1957}
   (( segid "PAH2" and resid 70   and name HG2 ))
   (( segid "PAH2" and resid 70   and name HN  ))
      2.800     1.000     1.000 peak  1957 weight  0.10000E+01 volume  0.20922E-02 ppm1      2.387 ppm2      8.609 CV     1
 ASSI { 1959}
   (( segid "PAH2" and resid 70   and name HG3 ))
   (( segid "PAH2" and resid 70   and name HB2 ))
      2.000     0.500     0.500 peak  1959 weight  0.10000E+01 volume  0.13064E-01 ppm1      2.538 ppm2      2.142 CV     1
 OR { 1959}
   (( segid "PAH2" and resid 70   and name HG3 ))
   (( segid "PAH2" and resid 70   and name HB3 ))
 ASSI { 1961}
   (( segid "PAH2" and resid 70   and name HG2 ))
   (( segid "PAH2" and resid 70   and name HG3 ))
      1.800     0.400     0.400 peak  1961 weight  0.10000E+01 volume  0.32423E-01 ppm1      2.387 ppm2      2.548 CV     1
 ASSI { 1964}
   (( segid "PAH2" and resid 70   and name HG3 ))
   (( segid "PAH2" and resid 70   and name HN  ))
      3.000     1.100     1.100 peak  1964 weight  0.10000E+01 volume  0.13420E-02 ppm1      2.538 ppm2      8.610 CV     1
 ASSI { 1968}
   (( segid "PAH2" and resid 71   and name HB2 ))
   (( segid "PAH2" and resid 71   and name HB3 ))
      1.800     0.400     0.400 peak  1968 weight  0.10000E+01 volume  0.26406E-01 ppm1      2.688 ppm2      2.841 CV     1
 ASSI { 1969}
   (( segid "PAH2" and resid 71   and name HB2 ))
   (( segid "PAH2" and resid 71   and name HA  ))
      2.300     0.600     0.600 peak  1969 weight  0.10000E+01 volume  0.70907E-02 ppm1      2.687 ppm2      4.429 CV     1
 ASSI { 1973}
   (( segid "PAH2" and resid 72   and name HA  ))
   (  segid "PAH2" and resid 13   and name HE% )
      2.500     0.800     0.800 peak  1973 weight  0.10000E+01 volume  0.38576E-02 ppm1      4.307 ppm2      6.839 CV     1
 ASSI { 1977}
   (( segid "PAH2" and resid 72   and name HA  ))
   (  segid "PAH2" and resid 72   and name HD2%)
      2.100     0.600     0.600 peak  1977 weight  0.10000E+01 volume  0.11061E-01 ppm1      4.307 ppm2      0.494 CV     1
 ASSI { 1979}
   (( segid "PAH2" and resid 72   and name HA  ))
   (( segid "PAH2" and resid 72   and name HB3 ))
      2.600     0.900     0.900 peak  1979 weight  0.10000E+01 volume  0.30207E-02 ppm1      4.307 ppm2      1.047 CV     1
 ASSI { 1980}
   (( segid "PAH2" and resid 72   and name HB3 ))
   (( segid "PAH2" and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak  1980 weight  0.10000E+01 volume  0.48635E-02 ppm1      1.017 ppm2      1.650 CV     1
 ASSI { 1981}
   (( segid "PAH2" and resid 72   and name HB3 ))
   (  segid "PAH2" and resid 72   and name HD2%)
      3.200     1.300     1.300 peak  1981 weight  0.10000E+01 volume  0.89442E-03 ppm1      1.017 ppm2      0.494 CV     1
 ASSI { 1986}
   (( segid "PAH2" and resid 72   and name HB2 ))
   (  segid "PAH2" and resid 72   and name HD2%)
      3.900     1.900     1.900 peak  1986 weight  0.10000E+01 volume  0.25782E-03 ppm1      1.659 ppm2      0.483 CV     1
 ASSI { 1987}
   (( segid "PAH2" and resid 72   and name HB2 ))
   (  segid "PAH2" and resid 72   and name HD1%)
      3.000     1.100     1.100 peak  1987 weight  0.10000E+01 volume  0.13598E-02 ppm1      1.657 ppm2      0.170 CV     1
 ASSI { 1989}
   (( segid "PAH2" and resid 72   and name HG  ))
   (  segid "PAH2" and resid 72   and name HD1%)
      3.200     1.300     1.300 peak  1989 weight  0.10000E+01 volume  0.88448E-03 ppm1      1.560 ppm2      0.187 CV     1
 ASSI { 1990}
   (( segid "PAH2" and resid 72   and name HG  ))
   (  segid "PAH2" and resid 72   and name HD2%)
      3.500     1.600     1.600 peak  1990 weight  0.10000E+01 volume  0.50084E-03 ppm1      1.560 ppm2      0.494 CV     1
 ASSI { 1992}
   (  segid "PAH2" and resid 72   and name HD2%)
   (  segid "PAH2" and resid 72   and name HD1%)
      2.000     0.500     0.500 peak  1992 weight  0.10000E+01 volume  0.13875E-01 ppm1      0.493 ppm2      0.187 CV     1
 ASSI { 1993}
   (  segid "PAH2" and resid 72   and name HD2%)
   (  segid "PAH2" and resid 17   and name HD1%)
      2.800     1.000     1.000 peak  1993 weight  0.10000E+01 volume  0.20752E-02 ppm1      0.493 ppm2      0.017 CV     1
 ASSI { 1995}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 16   and name HB3 ))
      2.400     0.700     0.700 peak  1995 weight  0.10000E+01 volume  0.54575E-02 ppm1      0.493 ppm2      1.945 CV     1
 ASSI { 1996}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 16   and name HE2 ))
      2.800     1.000     1.000 peak  1996 weight  0.10000E+01 volume  0.19728E-02 ppm1      0.493 ppm2      2.855 CV     1
 OR { 1996}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 16   and name HE3 ))
 ASSI { 1997}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 17   and name HA  ))
      3.100     1.200     1.200 peak  1997 weight  0.10000E+01 volume  0.10038E-02 ppm1      0.493 ppm2      3.136 CV     1
 ASSI { 1999}
   (  segid "PAH2" and resid 72   and name HD2%)
   (  segid "PAH2" and resid 13   and name HE% )
      2.500     0.800     0.800 peak  1999 weight  0.10000E+01 volume  0.40501E-02 ppm1      0.493 ppm2      6.827 CV     1
 ASSI { 2000}
   (  segid "PAH2" and resid 72   and name HD2%)
   (  segid "PAH2" and resid 13   and name HD% )
      2.800     1.000     1.000 peak  2000 weight  0.10000E+01 volume  0.19046E-02 ppm1      0.494 ppm2      7.011 CV     1
 ASSI { 2001}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 17   and name HN  ))
      3.400     1.400     1.400 peak  2001 weight  0.10000E+01 volume  0.64307E-03 ppm1      0.493 ppm2      7.675 CV     1
 ASSI { 2002}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 72   and name HN  ))
      2.800     0.900     0.900 peak  2002 weight  0.10000E+01 volume  0.22165E-02 ppm1      0.493 ppm2      7.798 CV     1
 ASSI { 2006}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 72   and name HB3 ))
      2.300     0.700     0.700 peak  2006 weight  0.10000E+01 volume  0.59356E-02 ppm1      0.182 ppm2      1.047 CV     1
 ASSI { 2007}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 72   and name HG  ))
      2.100     0.500     0.500 peak  2007 weight  0.10000E+01 volume  0.11643E-01 ppm1      0.182 ppm2      1.601 CV     1
 OR { 2007}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 72   and name HB2 ))
 ASSI { 2008}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 69   and name HB2 ))
      2.500     0.800     0.800 peak  2008 weight  0.10000E+01 volume  0.36786E-02 ppm1      0.182 ppm2      1.859 CV     1
 OR { 2008}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 69   and name HB3 ))
 ASSI { 2010}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 72   and name HA  ))
      3.500     1.500     1.500 peak  2010 weight  0.10000E+01 volume  0.55633E-03 ppm1      0.185 ppm2      4.300 CV     1
 ASSI { 2012}
   (  segid "PAH2" and resid 72   and name HD1%)
   (  segid "PAH2" and resid 66   and name HD% )
      3.300     1.400     1.400 peak  2012 weight  0.10000E+01 volume  0.73173E-03 ppm1      0.182 ppm2      6.616 CV     1
 ASSI { 2013}
   (  segid "PAH2" and resid 72   and name HD1%)
   (  segid "PAH2" and resid 21   and name HE% )
      2.400     0.700     0.700 peak  2013 weight  0.10000E+01 volume  0.46760E-02 ppm1      0.182 ppm2      6.851 CV     1
 ASSI { 2015}
   (  segid "PAH2" and resid 72   and name HD1%)
   (  segid "PAH2" and resid 21   and name HD% )
      3.300     1.400     1.400 peak  2015 weight  0.10000E+01 volume  0.68158E-03 ppm1      0.182 ppm2      7.282 CV     1
 ASSI { 2016}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 72   and name HN  ))
      2.900     1.000     1.000 peak  2016 weight  0.10000E+01 volume  0.17035E-02 ppm1      0.182 ppm2      7.798 CV     1
 ASSI { 2018}
   (  segid "PAH2" and resid 72   and name HD2%)
   (  segid "PAH2" and resid 66   and name HD% )
      3.500     1.500     1.500 peak  2018 weight  0.10000E+01 volume  0.53565E-03 ppm1      0.494 ppm2      6.616 CV     1
 ASSI { 2019}
   (  segid "PAH2" and resid 72   and name HD2%)
   (  segid "PAH2" and resid 21   and name HD% )
      3.800     1.800     1.800 peak  2019 weight  0.10000E+01 volume  0.29951E-03 ppm1      0.493 ppm2      7.282 CV     1
 ASSI { 2020}
   (( segid "PAH2" and resid 73   and name HA  ))
   (  segid "PAH2" and resid 66   and name HD% )
      3.000     1.200     1.200 peak  2020 weight  0.10000E+01 volume  0.12326E-02 ppm1      4.397 ppm2      6.618 CV     1
 ASSI { 2021}
   (( segid "PAH2" and resid 73   and name HA  ))
   (( segid "PAH2" and resid 73   and name HN  ))
      2.600     0.900     0.900 peak  2021 weight  0.10000E+01 volume  0.30307E-02 ppm1      4.397 ppm2      7.921 CV     1
 ASSI { 2022}
   (( segid "PAH2" and resid 73   and name HA  ))
   (( segid "PAH2" and resid 73   and name HB3 ))
      2.500     0.800     0.800 peak  2022 weight  0.10000E+01 volume  0.35457E-02 ppm1      4.397 ppm2      2.068 CV     1
 ASSI { 2023}
   (( segid "PAH2" and resid 73   and name HA  ))
   (( segid "PAH2" and resid 73   and name HB2 ))
      2.300     0.700     0.700 peak  2023 weight  0.10000E+01 volume  0.59391E-02 ppm1      4.397 ppm2      1.859 CV     1
 OR { 2023}
   (( segid "PAH2" and resid 73   and name HA  ))
   (( segid "PAH2" and resid 73   and name HG  ))
 ASSI { 2024}
   (( segid "PAH2" and resid 73   and name HA  ))
   (  segid "PAH2" and resid 73   and name HD1%)
      2.100     0.600     0.600 peak  2024 weight  0.10000E+01 volume  0.11146E-01 ppm1      4.398 ppm2      0.844 CV     1
 OR { 2024}
   (( segid "PAH2" and resid 73   and name HA  ))
   (  segid "PAH2" and resid 73   and name HD2%)
 ASSI { 2025}
   (( segid "PAH2" and resid 73   and name HB3 ))
   (( segid "PAH2" and resid 73   and name HB2 ))
      1.900     0.500     0.500 peak  2025 weight  0.10000E+01 volume  0.18137E-01 ppm1      2.054 ppm2      1.846 CV     1
 ASSI { 2030}
   (( segid "PAH2" and resid 73   and name HG  ))
   (  segid "PAH2" and resid 73   and name HD1%)
      2.100     0.600     0.600 peak  2030 weight  0.10000E+01 volume  0.10528E-01 ppm1      1.867 ppm2      0.863 CV     1
 OR { 2030}
   (( segid "PAH2" and resid 73   and name HG  ))
   (  segid "PAH2" and resid 73   and name HD2%)
 ASSI { 2031}
   (( segid "PAH2" and resid 73   and name HG  ))
   (( segid "PAH2" and resid 73   and name HN  ))
      3.200     1.300     1.300 peak  2031 weight  0.10000E+01 volume  0.82551E-03 ppm1      1.866 ppm2      7.918 CV     1
 ASSI { 2032}
   (( segid "PAH2" and resid 73   and name HG  ))
   (( segid "PAH2" and resid 73   and name HA  ))
      3.200     1.200     1.200 peak  2032 weight  0.10000E+01 volume  0.96404E-03 ppm1      1.865 ppm2      4.381 CV     1
 ASSI { 2033}
   (  segid "PAH2" and resid 73   and name HD1%)
   (  segid "PAH2" and resid 62   and name HG1%)
      2.600     0.800     0.800 peak  2033 weight  0.10000E+01 volume  0.31266E-02 ppm1      0.804 ppm2     -0.219 CV     1
 ASSI { 2034}
   (  segid "PAH2" and resid 73   and name HD1%)
   (( segid "PAH2" and resid 73   and name HG  ))
      2.000     0.500     0.500 peak  2034 weight  0.10000E+01 volume  0.13405E-01 ppm1      0.805 ppm2      1.853 CV     1
 ASSI { 2035}
   (  segid "PAH2" and resid 73   and name HD1%)
   (( segid "PAH2" and resid 73   and name HB3 ))
      2.300     0.700     0.700 peak  2035 weight  0.10000E+01 volume  0.60144E-02 ppm1      0.804 ppm2      2.067 CV     1
 ASSI { 2036}
   (  segid "PAH2" and resid 73   and name HD1%)
   (( segid "PAH2" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  2036 weight  0.10000E+01 volume  0.44089E-02 ppm1      0.804 ppm2      4.393 CV     1
 ASSI { 2037}
   (  segid "PAH2" and resid 73   and name HD1%)
   (  segid "PAH2" and resid 66   and name HD% )
      2.900     1.100     1.100 peak  2037 weight  0.10000E+01 volume  0.14685E-02 ppm1      0.805 ppm2      6.597 CV     1
 ASSI { 2038}
   (  segid "PAH2" and resid 73   and name HD1%)
   (  segid "PAH2" and resid 76   and name HD% )
      2.500     0.800     0.800 peak  2038 weight  0.10000E+01 volume  0.39080E-02 ppm1      0.804 ppm2      7.370 CV     1
 ASSI { 2039}
   (  segid "PAH2" and resid 73   and name HD1%)
   (( segid "PAH2" and resid 73   and name HN  ))
      3.500     1.500     1.500 peak  2039 weight  0.10000E+01 volume  0.54617E-03 ppm1      0.805 ppm2      7.913 CV     1
 ASSI { 2040}
   (  segid "PAH2" and resid 73   and name HD2%)
   (  segid "PAH2" and resid 62   and name HG1%)
      2.800     1.000     1.000 peak  2040 weight  0.10000E+01 volume  0.20837E-02 ppm1      0.901 ppm2     -0.212 CV     1
 ASSI { 2041}
   (  segid "PAH2" and resid 73   and name HD2%)
   (( segid "PAH2" and resid 73   and name HB3 ))
      2.400     0.700     0.700 peak  2041 weight  0.10000E+01 volume  0.52052E-02 ppm1      0.901 ppm2      2.067 CV     1
 ASSI { 2042}
   (  segid "PAH2" and resid 73   and name HD2%)
   (( segid "PAH2" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  2042 weight  0.10000E+01 volume  0.36104E-02 ppm1      0.901 ppm2      4.393 CV     1
 ASSI { 2043}
   (  segid "PAH2" and resid 73   and name HD1%)
   (( segid "PAH2" and resid 63   and name HA  ))
      2.200     0.600     0.600 peak  2043 weight  0.10000E+01 volume  0.84895E-02 ppm1      0.805 ppm2      3.754 CV     1
 ASSI { 2044}
   (  segid "PAH2" and resid 73   and name HD2%)
   (  segid "PAH2" and resid 66   and name HD% )
      2.600     0.800     0.800 peak  2044 weight  0.10000E+01 volume  0.32715E-02 ppm1      0.901 ppm2      6.610 CV     1
 ASSI { 2047}
   (  segid "PAH2" and resid 73   and name HD2%)
   (( segid "PAH2" and resid 74   and name HN  ))
      3.800     1.900     1.900 peak  2047 weight  0.10000E+01 volume  0.29547E-03 ppm1      0.902 ppm2      8.292 CV     1
 ASSI { 2048}
   (( segid "PAH2" and resid 74   and name HA  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  2048 weight  0.10000E+01 volume  0.37197E-02 ppm1      4.319 ppm2      8.336 CV     1
 ASSI { 2050}
   (( segid "PAH2" and resid 74   and name HA  ))
   (( segid "PAH2" and resid 74   and name HB2 ))
      2.000     0.500     0.500 peak  2050 weight  0.10000E+01 volume  0.14031E-01 ppm1      4.319 ppm2      4.075 CV     1
 OR { 2050}
   (( segid "PAH2" and resid 74   and name HA  ))
   (( segid "PAH2" and resid 74   and name HB3 ))
 ASSI { 2051}
   (( segid "PAH2" and resid 75   and name HA  ))
   (( segid "PAH2" and resid 75   and name HN  ))
      2.700     0.900     0.900 peak  2051 weight  0.10000E+01 volume  0.22868E-02 ppm1      4.068 ppm2      7.932 CV     1
 ASSI { 2052}
   (( segid "PAH2" and resid 75   and name HA  ))
   (( segid "PAH2" and resid 75   and name HG3 ))
      2.500     0.800     0.800 peak  2052 weight  0.10000E+01 volume  0.34996E-02 ppm1      4.068 ppm2      2.334 CV     1
 ASSI { 2055}
   (( segid "PAH2" and resid 75   and name HA  ))
   (( segid "PAH2" and resid 78   and name HG2 ))
      2.700     0.900     0.900 peak  2055 weight  0.10000E+01 volume  0.26406E-02 ppm1      4.068 ppm2      1.607 CV     1
 ASSI { 2056}
   (( segid "PAH2" and resid 75   and name HB3 ))
   (( segid "PAH2" and resid 75   and name HA  ))
      2.500     0.800     0.800 peak  2056 weight  0.10000E+01 volume  0.42576E-02 ppm1      1.910 ppm2      4.078 CV     1
 ASSI { 2059}
   (( segid "PAH2" and resid 75   and name HB3 ))
   (( segid "PAH2" and resid 75   and name HN  ))
      3.000     1.100     1.100 peak  2059 weight  0.10000E+01 volume  0.14414E-02 ppm1      1.910 ppm2      7.932 CV     1
 ASSI { 2060}
   (( segid "PAH2" and resid 75   and name HB2 ))
   (( segid "PAH2" and resid 75   and name HA  ))
      2.600     0.800     0.800 peak  2060 weight  0.10000E+01 volume  0.31244E-02 ppm1      2.070 ppm2      4.078 CV     1
 ASSI { 2063}
   (( segid "PAH2" and resid 75   and name HG2 ))
   (( segid "PAH2" and resid 75   and name HG3 ))
      1.900     0.500     0.500 peak  2063 weight  0.10000E+01 volume  0.19821E-01 ppm1      2.031 ppm2      2.382 CV     1
 ASSI { 2064}
   (( segid "PAH2" and resid 75   and name HG2 ))
   (( segid "PAH2" and resid 75   and name HA  ))
      2.600     0.900     0.900 peak  2064 weight  0.10000E+01 volume  0.28367E-02 ppm1      2.031 ppm2      4.078 CV     1
 ASSI { 2068}
   (( segid "PAH2" and resid 75   and name HG3 ))
   (( segid "PAH2" and resid 75   and name HN  ))
      2.200     0.600     0.600 peak  2068 weight  0.10000E+01 volume  0.86601E-02 ppm1      2.361 ppm2      7.932 CV     1
 ASSI { 2069}
   (( segid "PAH2" and resid 76   and name HA  ))
   (( segid "PAH2" and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak  2069 weight  0.10000E+01 volume  0.37197E-02 ppm1      4.355 ppm2      4.115 CV     1
 ASSI { 2070}
   (( segid "PAH2" and resid 76   and name HA  ))
   (( segid "PAH2" and resid 76   and name HB3 ))
      2.900     1.000     1.000 peak  2070 weight  0.10000E+01 volume  0.17029E-02 ppm1      4.355 ppm2      3.309 CV     1
 ASSI { 2073}
   (( segid "PAH2" and resid 76   and name HA  ))
   (  segid "PAH2" and resid 76   and name HD% )
      2.400     0.700     0.700 peak  2073 weight  0.10000E+01 volume  0.55647E-02 ppm1      4.356 ppm2      7.368 CV     1
 ASSI { 2075}
   (( segid "PAH2" and resid 76   and name HB3 ))
   (( segid "PAH2" and resid 76   and name HB2 ))
      2.300     0.600     0.600 peak  2075 weight  0.10000E+01 volume  0.69408E-02 ppm1      3.305 ppm2      4.115 CV     1
 ASSI { 2084}
   (( segid "PAH2" and resid 77   and name HA2 ))
   (( segid "PAH2" and resid 77   and name HA1 ))
      2.100     0.500     0.500 peak  2084 weight  0.10000E+01 volume  0.11353E-01 ppm1      3.491 ppm2      3.871 CV     1
 ASSI { 2085}
   (( segid "PAH2" and resid 77   and name HA2 ))
   (( segid "PAH2" and resid 78   and name HN  ))
      3.700     1.800     1.800 peak  2085 weight  0.10000E+01 volume  0.34732E-03 ppm1      3.491 ppm2      7.310 CV     1
 ASSI { 2091}
   (( segid "PAH2" and resid 78   and name HA  ))
   (( segid "PAH2" and resid 78   and name HG3 ))
      2.600     0.900     0.900 peak  2091 weight  0.10000E+01 volume  0.29255E-02 ppm1      3.867 ppm2      1.992 CV     1
 ASSI { 2092}
   (( segid "PAH2" and resid 78   and name HA  ))
   (( segid "PAH2" and resid 78   and name HB3 ))
      2.000     0.500     0.500 peak  2092 weight  0.10000E+01 volume  0.17284E-01 ppm1      3.866 ppm2      1.600 CV     1
 OR { 2092}
   (( segid "PAH2" and resid 78   and name HA  ))
   (( segid "PAH2" and resid 78   and name HB2 ))
 ASSI { 2093}
   (( segid "PAH2" and resid 78   and name HA  ))
   (( segid "PAH2" and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  2093 weight  0.10000E+01 volume  0.38519E-02 ppm1      3.867 ppm2      7.310 CV     1
 ASSI { 2095}
   (( segid "PAH2" and resid 78   and name HB3 ))
   (( segid "PAH2" and resid 78   and name HG3 ))
      2.500     0.800     0.800 peak  2095 weight  0.10000E+01 volume  0.37340E-02 ppm1      1.543 ppm2      1.980 CV     1
 ASSI { 2096}
   (( segid "PAH2" and resid 78   and name HB3 ))
   (( segid "PAH2" and resid 78   and name HA  ))
      2.600     0.800     0.800 peak  2096 weight  0.10000E+01 volume  0.31194E-02 ppm1      1.543 ppm2      3.871 CV     1
 ASSI { 2097}
   (( segid "PAH2" and resid 78   and name HB3 ))
   (( segid "PAH2" and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  2097 weight  0.10000E+01 volume  0.19572E-02 ppm1      1.544 ppm2      7.300 CV     1
 ASSI { 2098}
   (( segid "PAH2" and resid 78   and name HB2 ))
   (( segid "PAH2" and resid 78   and name HG3 ))
      2.400     0.700     0.700 peak  2098 weight  0.10000E+01 volume  0.47371E-02 ppm1      1.633 ppm2      1.980 CV     1
 ASSI { 2099}
   (( segid "PAH2" and resid 78   and name HB2 ))
   (( segid "PAH2" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  2099 weight  0.10000E+01 volume  0.26413E-02 ppm1      1.633 ppm2      3.871 CV     1
 ASSI { 2100}
   (( segid "PAH2" and resid 78   and name HB2 ))
   (( segid "PAH2" and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  2100 weight  0.10000E+01 volume  0.18464E-02 ppm1      1.633 ppm2      7.300 CV     1
 ASSI { 2101}
   (( segid "PAH2" and resid 78   and name HG2 ))
   (( segid "PAH2" and resid 78   and name HG3 ))
      1.900     0.400     0.400 peak  2101 weight  0.10000E+01 volume  0.20609E-01 ppm1      1.590 ppm2      2.004 CV     1
 ASSI { 2102}
   (( segid "PAH2" and resid 78   and name HG2 ))
   (( segid "PAH2" and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  2102 weight  0.10000E+01 volume  0.10805E-02 ppm1      1.590 ppm2      3.871 CV     1
 ASSI { 2103}
   (( segid "PAH2" and resid 78   and name HG2 ))
   (( segid "PAH2" and resid 78   and name HN  ))
      3.000     1.100     1.100 peak  2103 weight  0.10000E+01 volume  0.13449E-02 ppm1      1.590 ppm2      7.298 CV     1
 ASSI { 2104}
   (( segid "PAH2" and resid 78   and name HG2 ))
   (( segid "PAH2" and resid 78   and name HE21))
      3.500     1.600     1.600 peak  2104 weight  0.10000E+01 volume  0.48650E-03 ppm1      1.590 ppm2      7.457 CV     1
 ASSI { 2107}
   (( segid "PAH2" and resid 78   and name HG3 ))
   (( segid "PAH2" and resid 75   and name HA  ))
      3.600     1.600     1.600 peak  2107 weight  0.10000E+01 volume  0.47058E-03 ppm1      1.982 ppm2      4.078 CV     1
 ASSI { 2112}
   (( segid "PAH2" and resid 79   and name HA  ))
   (( segid "PAH2" and resid 79   and name HB3 ))
      2.600     0.800     0.800 peak  2112 weight  0.10000E+01 volume  0.31877E-02 ppm1      4.173 ppm2      2.980 CV     1
 ASSI { 2113}
   (( segid "PAH2" and resid 79   and name HA  ))
   (( segid "PAH2" and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak  2113 weight  0.10000E+01 volume  0.36956E-02 ppm1      4.173 ppm2      2.457 CV     1
 ASSI { 2115}
   (( segid "PAH2" and resid 79   and name HA  ))
   (( segid "PAH2" and resid 80   and name HN  ))
      2.800     1.000     1.000 peak  2115 weight  0.10000E+01 volume  0.18144E-02 ppm1      4.173 ppm2      6.896 CV     1
 ASSI { 2116}
   (( segid "PAH2" and resid 79   and name HA  ))
   (  segid "PAH2" and resid 79   and name HD% )
      2.500     0.800     0.800 peak  2116 weight  0.10000E+01 volume  0.42156E-02 ppm1      4.174 ppm2      7.157 CV     1
 ASSI { 2117}
   (( segid "PAH2" and resid 79   and name HA  ))
   (( segid "PAH2" and resid 79   and name HN  ))
      2.800     0.900     0.900 peak  2117 weight  0.10000E+01 volume  0.21952E-02 ppm1      4.174 ppm2      7.640 CV     1
 ASSI { 2119}
   (( segid "PAH2" and resid 79   and name HB2 ))
   (( segid "PAH2" and resid 79   and name HB3 ))
      2.400     0.700     0.700 peak  2119 weight  0.10000E+01 volume  0.56705E-02 ppm1      2.457 ppm2      2.980 CV     1
 ASSI { 2122}
   (( segid "PAH2" and resid 79   and name HB2 ))
   (  segid "PAH2" and resid 79   and name HD% )
      2.900     1.100     1.100 peak  2122 weight  0.10000E+01 volume  0.15999E-02 ppm1      2.457 ppm2      7.157 CV     1
 ASSI { 2126}
   (( segid "PAH2" and resid 79   and name HB3 ))
   (( segid "PAH2" and resid 80   and name HN  ))
      3.700     1.700     1.700 peak  2126 weight  0.10000E+01 volume  0.35102E-03 ppm1      2.973 ppm2      6.896 CV     1
 ASSI { 2129}
   (( segid "PAH2" and resid 80   and name HA  ))
   (( segid "PAH2" and resid 80   and name HN  ))
      2.800     1.000     1.000 peak  2129 weight  0.10000E+01 volume  0.19437E-02 ppm1      4.656 ppm2      6.883 CV     1
 ASSI { 2130}
   (( segid "PAH2" and resid 80   and name HA  ))
   (( segid "PAH2" and resid 81   and name HD2 ))
      2.100     0.500     0.500 peak  2130 weight  0.10000E+01 volume  0.11374E-01 ppm1      4.656 ppm2      3.713 CV     1
 OR { 2130}
   (( segid "PAH2" and resid 80   and name HA  ))
   (( segid "PAH2" and resid 81   and name HD3 ))
 ASSI { 2131}
   (( segid "PAH2" and resid 80   and name HA  ))
   (( segid "PAH2" and resid 80   and name HB3 ))
      2.400     0.700     0.700 peak  2131 weight  0.10000E+01 volume  0.56528E-02 ppm1      4.656 ppm2      1.436 CV     1
 OR { 2131}
   (( segid "PAH2" and resid 80   and name HA  ))
   (( segid "PAH2" and resid 80   and name HB2 ))
 ASSI { 2132}
   (( segid "PAH2" and resid 80   and name HA  ))
   (  segid "PAH2" and resid 80   and name HD2%)
      2.200     0.600     0.600 peak  2132 weight  0.10000E+01 volume  0.83120E-02 ppm1      4.657 ppm2      0.672 CV     1
 ASSI { 2135}
   (( segid "PAH2" and resid 80   and name HG  ))
   (( segid "PAH2" and resid 80   and name HB2 ))
      2.200     0.600     0.600 peak  2135 weight  0.10000E+01 volume  0.80135E-02 ppm1      1.270 ppm2      1.436 CV     1
 OR { 2135}
   (( segid "PAH2" and resid 80   and name HG  ))
   (( segid "PAH2" and resid 80   and name HB3 ))
 ASSI { 2136}
   (( segid "PAH2" and resid 80   and name HG  ))
   (  segid "PAH2" and resid 80   and name HD1%)
      2.000     0.500     0.500 peak  2136 weight  0.10000E+01 volume  0.16567E-01 ppm1      1.270 ppm2      0.685 CV     1
 OR { 2136}
   (( segid "PAH2" and resid 80   and name HG  ))
   (  segid "PAH2" and resid 80   and name HD2%)
 ASSI { 2137}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 80   and name HG  ))
      2.200     0.600     0.600 peak  2137 weight  0.10000E+01 volume  0.86245E-02 ppm1      0.675 ppm2      1.285 CV     1
 ASSI { 2138}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 80   and name HB3 ))
      2.400     0.700     0.700 peak  2138 weight  0.10000E+01 volume  0.54603E-02 ppm1      0.675 ppm2      1.436 CV     1
 ASSI { 2139}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "MAD1" and resid 202  and name HG13))
      2.800     0.900     0.900 peak  2139 weight  0.10000E+01 volume  0.21937E-02 ppm1      0.675 ppm2      1.626 CV     1
 ASSI { 2140}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 55   and name HB3 ))
      2.500     0.800     0.800 peak  2140 weight  0.10000E+01 volume  0.36481E-02 ppm1      0.675 ppm2      1.980 CV     1
 ASSI { 2142}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 55   and name HG2 ))
      2.500     0.800     0.800 peak  2142 weight  0.10000E+01 volume  0.39108E-02 ppm1      0.675 ppm2      2.382 CV     1
 OR { 2142}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 55   and name HG3 ))
 ASSI { 2143}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 59   and name HB2 ))
      3.400     1.500     1.500 peak  2143 weight  0.10000E+01 volume  0.58859E-03 ppm1      0.675 ppm2      3.065 CV     1
 ASSI { 2144}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 59   and name HB3 ))
      3.800     1.800     1.800 peak  2144 weight  0.10000E+01 volume  0.29717E-03 ppm1      0.675 ppm2      3.309 CV     1
 ASSI { 2145}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 81   and name HD2 ))
      2.500     0.800     0.800 peak  2145 weight  0.10000E+01 volume  0.41758E-02 ppm1      0.675 ppm2      3.713 CV     1
 OR { 2145}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 81   and name HD3 ))
 ASSI { 2146}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 55   and name HA  ))
      2.700     0.900     0.900 peak  2146 weight  0.10000E+01 volume  0.25291E-02 ppm1      0.675 ppm2      3.846 CV     1
 ASSI { 2148}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 80   and name HN  ))
      2.600     0.800     0.800 peak  2148 weight  0.10000E+01 volume  0.34868E-02 ppm1      0.676 ppm2      6.856 CV     1
 ASSI { 2149}
   (  segid "PAH2" and resid 80   and name HD2%)
   (  segid "PAH2" and resid 76   and name HE% )
      2.400     0.700     0.700 peak  2149 weight  0.10000E+01 volume  0.45076E-02 ppm1      0.675 ppm2      7.115 CV     1
 ASSI { 2150}
   (  segid "PAH2" and resid 80   and name HD2%)
   (  segid "PAH2" and resid 76   and name HD% )
      2.900     1.100     1.100 peak  2150 weight  0.10000E+01 volume  0.16155E-02 ppm1      0.675 ppm2      7.371 CV     1
 ASSI { 2152}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 80   and name HG  ))
      2.000     0.500     0.500 peak  2152 weight  0.10000E+01 volume  0.13235E-01 ppm1      0.688 ppm2      1.285 CV     1
 ASSI { 2153}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 80   and name HB2 ))
      2.100     0.500     0.500 peak  2153 weight  0.10000E+01 volume  0.11700E-01 ppm1      0.688 ppm2      1.436 CV     1
 OR { 2153}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 80   and name HB3 ))
 ASSI { 2155}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 77   and name HA2 ))
      3.500     1.600     1.600 peak  2155 weight  0.10000E+01 volume  0.48721E-03 ppm1      0.688 ppm2      3.492 CV     1
 ASSI { 2156}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 81   and name HD2 ))
      3.800     1.800     1.800 peak  2156 weight  0.10000E+01 volume  0.30505E-03 ppm1      0.688 ppm2      3.713 CV     1
 OR { 2156}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 81   and name HD3 ))
 ASSI { 2158}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 80   and name HA  ))
      3.600     1.600     1.600 peak  2158 weight  0.10000E+01 volume  0.47704E-03 ppm1      0.688 ppm2      4.656 CV     1
 ASSI { 2159}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 80   and name HN  ))
      3.100     1.200     1.200 peak  2159 weight  0.10000E+01 volume  0.11687E-02 ppm1      0.688 ppm2      6.859 CV     1
 ASSI { 2160}
   (  segid "PAH2" and resid 80   and name HD1%)
   (  segid "PAH2" and resid 76   and name HE% )
      2.400     0.700     0.700 peak  2160 weight  0.10000E+01 volume  0.45140E-02 ppm1      0.688 ppm2      7.140 CV     1
 ASSI { 2161}
   (  segid "PAH2" and resid 80   and name HD1%)
   (  segid "PAH2" and resid 76   and name HD% )
      2.800     1.000     1.000 peak  2161 weight  0.10000E+01 volume  0.20482E-02 ppm1      0.688 ppm2      7.359 CV     1
 ASSI { 2162}
   (( segid "PAH2" and resid 81   and name HA  ))
   (( segid "PAH2" and resid 82   and name HN  ))
      2.200     0.600     0.600 peak  2162 weight  0.10000E+01 volume  0.76015E-02 ppm1      4.345 ppm2      9.159 CV     1
 ASSI { 2165}
   (( segid "PAH2" and resid 81   and name HA  ))
   (( segid "PAH2" and resid 81   and name HB3 ))
      2.200     0.600     0.600 peak  2165 weight  0.10000E+01 volume  0.77791E-02 ppm1      4.345 ppm2      1.931 CV     1
 ASSI { 2167}
   (( segid "PAH2" and resid 81   and name HA  ))
   (( segid "PAH2" and resid 81   and name HB2 ))
      2.200     0.600     0.600 peak  2167 weight  0.10000E+01 volume  0.96191E-02 ppm1      4.345 ppm2      2.392 CV     1
 ASSI { 2168}
   (( segid "PAH2" and resid 81   and name HA  ))
   (( segid "PAH2" and resid 81   and name HD3 ))
      2.900     1.100     1.100 peak  2168 weight  0.10000E+01 volume  0.15494E-02 ppm1      4.345 ppm2      3.713 CV     1
 OR { 2168}
   (( segid "PAH2" and resid 81   and name HA  ))
   (( segid "PAH2" and resid 81   and name HD2 ))
 ASSI { 2169}
   (( segid "PAH2" and resid 81   and name HB3 ))
   (( segid "PAH2" and resid 81   and name HB2 ))
      1.900     0.500     0.500 peak  2169 weight  0.10000E+01 volume  0.20190E-01 ppm1      1.932 ppm2      2.392 CV     1
 ASSI { 2174}
   (( segid "PAH2" and resid 81   and name HB3 ))
   (( segid "PAH2" and resid 81   and name HG3 ))
      1.900     0.500     0.500 peak  2174 weight  0.10000E+01 volume  0.19011E-01 ppm1      1.932 ppm2      2.137 CV     1
 OR { 2174}
   (( segid "PAH2" and resid 81   and name HB3 ))
   (( segid "PAH2" and resid 81   and name HG2 ))
 ASSI { 2175}
   (( segid "PAH2" and resid 81   and name HB2 ))
   (( segid "PAH2" and resid 81   and name HD3 ))
      3.000     1.100     1.100 peak  2175 weight  0.10000E+01 volume  0.14528E-02 ppm1      2.378 ppm2      3.713 CV     1
 ASSI { 2177}
   (( segid "PAH2" and resid 81   and name HB2 ))
   (( segid "PAH2" and resid 82   and name HN  ))
      3.900     1.900     1.900 peak  2177 weight  0.10000E+01 volume  0.25846E-03 ppm1      2.378 ppm2      9.147 CV     1
 ASSI { 2179}
   (( segid "PAH2" and resid 81   and name HG2 ))
   (( segid "PAH2" and resid 81   and name HB2 ))
      2.000     0.500     0.500 peak  2179 weight  0.10000E+01 volume  0.13534E-01 ppm1      2.138 ppm2      2.380 CV     1
 ASSI { 2180}
   (( segid "PAH2" and resid 81   and name HG2 ))
   (( segid "PAH2" and resid 81   and name HD2 ))
      2.100     0.500     0.500 peak  2180 weight  0.10000E+01 volume  0.12184E-01 ppm1      2.138 ppm2      3.713 CV     1
 OR { 2180}
   (( segid "PAH2" and resid 81   and name HG3 ))
   (( segid "PAH2" and resid 81   and name HD2 ))
 OR { 2180}
   (( segid "PAH2" and resid 81   and name HG2 ))
   (( segid "PAH2" and resid 81   and name HD3 ))
 ASSI { 2181}
   (( segid "PAH2" and resid 81   and name HG2 ))
   (( segid "PAH2" and resid 81   and name HA  ))
      2.700     0.900     0.900 peak  2181 weight  0.10000E+01 volume  0.24005E-02 ppm1      2.138 ppm2      4.348 CV     1
 OR { 2181}
   (( segid "PAH2" and resid 81   and name HG3 ))
   (( segid "PAH2" and resid 81   and name HA  ))
 ASSI { 2182}
   (( segid "PAH2" and resid 81   and name HG2 ))
   (( segid "PAH2" and resid 82   and name HN  ))
      4.000     2.000     2.000 peak  2182 weight  0.10000E+01 volume  0.25163E-03 ppm1      2.138 ppm2      9.147 CV     1
 OR { 2182}
   (( segid "PAH2" and resid 81   and name HG3 ))
   (( segid "PAH2" and resid 82   and name HN  ))
 ASSI { 2185}
   (( segid "PAH2" and resid 81   and name HD3 ))
   (( segid "PAH2" and resid 81   and name HB3 ))
      2.400     0.700     0.700 peak  2185 weight  0.10000E+01 volume  0.50383E-02 ppm1      3.713 ppm2      1.943 CV     1
 OR { 2185}
   (( segid "PAH2" and resid 81   and name HD2 ))
   (( segid "PAH2" and resid 81   and name HB3 ))
 ASSI { 2186}
   (( segid "PAH2" and resid 81   and name HD2 ))
   (( segid "PAH2" and resid 80   and name HB3 ))
      2.500     0.800     0.800 peak  2186 weight  0.10000E+01 volume  0.36302E-02 ppm1      3.713 ppm2      1.436 CV     1
 ASSI { 2188}
   (( segid "PAH2" and resid 82   and name HA  ))
   (( segid "PAH2" and resid 82   and name HB2 ))
      2.200     0.600     0.600 peak  2188 weight  0.10000E+01 volume  0.93420E-02 ppm1      4.023 ppm2      1.979 CV     1
 OR { 2188}
   (( segid "PAH2" and resid 82   and name HA  ))
   (( segid "PAH2" and resid 82   and name HB3 ))
 ASSI { 2192}
   (( segid "PAH2" and resid 82   and name HB2 ))
   (( segid "PAH2" and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  2192 weight  0.10000E+01 volume  0.24907E-02 ppm1      1.984 ppm2      9.153 CV     1
 ASSI { 2194}
   (( segid "PAH2" and resid 82   and name HB3 ))
   (( segid "PAH2" and resid 82   and name HN  ))
      2.600     0.900     0.900 peak  2194 weight  0.10000E+01 volume  0.29447E-02 ppm1      2.034 ppm2      9.164 CV     1
 ASSI { 2302}
   (( segid "PAH2" and resid 5    and name HA  ))
   (( segid "PAH2" and resid 8    and name HB3 ))
      2.500     0.800     0.800 peak  2302 weight  0.10000E+01 volume  0.39883E-02 ppm1      3.855 ppm2      2.935 CV     1
 ASSI { 2303}
   (( segid "PAH2" and resid 8    and name HB2 ))
   (( segid "PAH2" and resid 5    and name HA  ))
      3.800     1.800     1.800 peak  2303 weight  0.10000E+01 volume  0.30683E-03 ppm1      2.790 ppm2      3.855 CV     1
 ASSI { 2305}
   (( segid "PAH2" and resid 6    and name HA  ))
   (( segid "PAH2" and resid 6    and name HN  ))
      2.300     0.700     0.700 peak  2305 weight  0.10000E+01 volume  0.62894E-02 ppm1      4.222 ppm2      8.598 CV     1
 ASSI { 2308}
   (( segid "PAH2" and resid 6    and name HA  ))
   (( segid "PAH2" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  2308 weight  0.10000E+01 volume  0.18087E-02 ppm1      4.222 ppm2      3.010 CV     1
 ASSI { 2309}
   (( segid "PAH2" and resid 6    and name HA  ))
   (( segid "PAH2" and resid 6    and name HG2 ))
      2.000     0.500     0.500 peak  2309 weight  0.10000E+01 volume  0.13385E-01 ppm1      4.222 ppm2      2.363 CV     1
 OR { 2309}
   (( segid "PAH2" and resid 6    and name HA  ))
   (( segid "PAH2" and resid 6    and name HG3 ))
 ASSI { 2312}
   (( segid "PAH2" and resid 6    and name HA  ))
   (( segid "PAH2" and resid 9    and name HB3 ))
      2.500     0.800     0.800 peak  2312 weight  0.10000E+01 volume  0.41070E-02 ppm1      4.222 ppm2      3.137 CV     1
 ASSI { 2317}
   (( segid "PAH2" and resid 6    and name HB3 ))
   (( segid "PAH2" and resid 6    and name HA  ))
      1.900     0.400     0.400 peak  2317 weight  0.10000E+01 volume  0.21611E-01 ppm1      2.062 ppm2      4.227 CV     1
 OR { 2317}
   (( segid "PAH2" and resid 6    and name HB2 ))
   (( segid "PAH2" and resid 6    and name HA  ))
 ASSI { 2319}
   (( segid "PAH2" and resid 6    and name HG2 ))
   (  segid "PAH2" and resid 5    and name HG1%)
      3.200     1.300     1.300 peak  2319 weight  0.10000E+01 volume  0.90579E-03 ppm1      2.372 ppm2      0.934 CV     1
 OR { 2319}
   (( segid "PAH2" and resid 6    and name HG3 ))
   (  segid "PAH2" and resid 5    and name HG1%)
 OR { 2319}
   (( segid "PAH2" and resid 6    and name HG3 ))
   (  segid "PAH2" and resid 5    and name HG2%)
 ASSI { 2320}
   (  segid "PAH2" and resid 5    and name HG1%)
   (( segid "PAH2" and resid 9    and name HB3 ))
      2.900     1.100     1.100 peak  2320 weight  0.10000E+01 volume  0.16140E-02 ppm1      0.935 ppm2      3.120 CV     1
 ASSI { 2321}
   (  segid "PAH2" and resid 5    and name HG1%)
   (( segid "PAH2" and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  2321 weight  0.10000E+01 volume  0.25497E-02 ppm1      0.935 ppm2      2.969 CV     1
 ASSI { 2328}
   (( segid "PAH2" and resid 10   and name HA  ))
   (( segid "PAH2" and resid 13   and name HB2 ))
      3.300     1.400     1.400 peak  2328 weight  0.10000E+01 volume  0.69281E-03 ppm1      4.123 ppm2      3.478 CV     1
 ASSI { 2333}
   (( segid "PAH2" and resid 15   and name HB2 ))
   (( segid "PAH2" and resid 12   and name HA  ))
      2.600     0.800     0.800 peak  2333 weight  0.10000E+01 volume  0.31251E-02 ppm1      2.772 ppm2      4.197 CV     1
 ASSI { 2338}
   (( segid "PAH2" and resid 16   and name HA  ))
   (( segid "PAH2" and resid 19   and name HB  ))
      2.800     1.000     1.000 peak  2338 weight  0.10000E+01 volume  0.21157E-02 ppm1      3.861 ppm2      4.084 CV     1
 ASSI { 2343}
   (( segid "PAH2" and resid 12   and name HA  ))
   (( segid "PAH2" and resid 13   and name HN  ))
      3.100     1.200     1.200 peak  2343 weight  0.10000E+01 volume  0.11366E-02 ppm1      4.193 ppm2      8.136 CV     1
 ASSI { 2344}
   (( segid "PAH2" and resid 13   and name HA  ))
   (( segid "PAH2" and resid 16   and name HN  ))
      3.500     1.600     1.600 peak  2344 weight  0.10000E+01 volume  0.50241E-03 ppm1      4.445 ppm2      7.982 CV     1
 ASSI { 2350}
   (( segid "PAH2" and resid 16   and name HA  ))
   (( segid "PAH2" and resid 19   and name HN  ))
      3.200     1.300     1.300 peak  2350 weight  0.10000E+01 volume  0.94130E-03 ppm1      3.861 ppm2      8.097 CV     1
 ASSI { 2351}
   (( segid "PAH2" and resid 16   and name HA  ))
   (( segid "PAH2" and resid 15   and name HN  ))
      4.600     2.600     1.400 peak  2351 weight  0.10000E+01 volume  0.10372E-03 ppm1      3.861 ppm2      8.574 CV     1
 ASSI { 2354}
   (( segid "PAH2" and resid 13   and name HB2 ))
   (( segid "PAH2" and resid 13   and name HB3 ))
      2.500     0.800     0.800 peak  2354 weight  0.10000E+01 volume  0.37837E-02 ppm1      3.487 ppm2      2.884 CV     1
 ASSI { 2363}
   (( segid "PAH2" and resid 13   and name HB3 ))
   (( segid "PAH2" and resid 13   and name HA  ))
      2.400     0.700     0.700 peak  2363 weight  0.10000E+01 volume  0.48756E-02 ppm1      2.864 ppm2      4.439 CV     1
 ASSI { 2366}
   (( segid "PAH2" and resid 13   and name HB3 ))
   (( segid "PAH2" and resid 14   and name HN  ))
      3.500     1.600     1.600 peak  2366 weight  0.10000E+01 volume  0.49964E-03 ppm1      2.864 ppm2      8.611 CV     1
 ASSI { 2368}
   (( segid "PAH2" and resid 15   and name HB3 ))
   (( segid "PAH2" and resid 16   and name HN  ))
      2.900     1.000     1.000 peak  2368 weight  0.10000E+01 volume  0.16965E-02 ppm1      2.806 ppm2      7.985 CV     1
 ASSI { 2369}
   (( segid "PAH2" and resid 7    and name HB2 ))
   (( segid "PAH2" and resid 7    and name HB3 ))
      2.000     0.500     0.500 peak  2369 weight  0.10000E+01 volume  0.15011E-01 ppm1      3.034 ppm2      3.290 CV     1
 ASSI { 2371}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 11   and name HG12))
      2.400     0.700     0.700 peak  2371 weight  0.10000E+01 volume  0.48635E-02 ppm1      0.898 ppm2      1.154 CV     1
 ASSI { 2373}
   (( segid "PAH2" and resid 11   and name HB  ))
   (( segid "PAH2" and resid 11   and name HG13))
      3.300     1.400     1.400 peak  2373 weight  0.10000E+01 volume  0.74807E-03 ppm1      1.762 ppm2      0.547 CV     1
 ASSI { 2375}
   (( segid "PAH2" and resid 16   and name HD2 ))
   (( segid "PAH2" and resid 16   and name HB2 ))
      2.100     0.500     0.500 peak  2375 weight  0.10000E+01 volume  0.11523E-01 ppm1      1.659 ppm2      1.958 CV     1
 OR { 2375}
   (( segid "PAH2" and resid 16   and name HD3 ))
   (( segid "PAH2" and resid 16   and name HB3 ))
 OR { 2375}
   (( segid "PAH2" and resid 16   and name HD2 ))
   (( segid "PAH2" and resid 16   and name HB3 ))
 ASSI { 2376}
   (( segid "PAH2" and resid 16   and name HB2 ))
   (( segid "PAH2" and resid 16   and name HE3 ))
      3.100     1.200     1.200 peak  2376 weight  0.10000E+01 volume  0.10060E-02 ppm1      1.966 ppm2      2.858 CV     1
 OR { 2376}
   (( segid "PAH2" and resid 16   and name HB3 ))
   (( segid "PAH2" and resid 16   and name HE2 ))
 OR { 2376}
   (( segid "PAH2" and resid 16   and name HB3 ))
   (( segid "PAH2" and resid 16   and name HE3 ))
 OR { 2376}
   (( segid "PAH2" and resid 16   and name HB2 ))
   (( segid "PAH2" and resid 16   and name HE2 ))
 ASSI { 2377}
   (( segid "PAH2" and resid 17   and name HG13))
   (  segid "PAH2" and resid 17   and name HG2%)
      2.900     1.100     1.100 peak  2377 weight  0.10000E+01 volume  0.15245E-02 ppm1      1.058 ppm2      0.808 CV     1
 ASSI { 2379}
   (( segid "PAH2" and resid 17   and name HG12))
   (( segid "PAH2" and resid 17   and name HB  ))
      4.200     2.200     1.800 peak  2379 weight  0.10000E+01 volume  0.17895E-03 ppm1      0.361 ppm2      1.843 CV     1
 ASSI { 2382}
   (( segid "PAH2" and resid 18   and name HG2 ))
   (( segid "PAH2" and resid 18   and name HB3 ))
      2.800     1.000     1.000 peak  2382 weight  0.10000E+01 volume  0.19800E-02 ppm1      0.516 ppm2      1.250 CV     1
 ASSI { 2383}
   (( segid "PAH2" and resid 18   and name HG2 ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.900     1.000     1.000 peak  2383 weight  0.10000E+01 volume  0.16567E-02 ppm1      0.516 ppm2      1.589 CV     1
 ASSI { 2385}
   (( segid "PAH2" and resid 18   and name HB3 ))
   (( segid "PAH2" and resid 18   and name HD2 ))
      2.800     1.000     1.000 peak  2385 weight  0.10000E+01 volume  0.20816E-02 ppm1      1.250 ppm2      1.427 CV     1
 OR { 2385}
   (( segid "PAH2" and resid 18   and name HB3 ))
   (( segid "PAH2" and resid 18   and name HD3 ))
 ASSI { 2386}
   (( segid "PAH2" and resid 18   and name HB2 ))
   (( segid "PAH2" and resid 18   and name HD3 ))
      2.700     0.900     0.900 peak  2386 weight  0.10000E+01 volume  0.27372E-02 ppm1      1.605 ppm2      1.402 CV     1
 OR { 2386}
   (( segid "PAH2" and resid 18   and name HB2 ))
   (( segid "PAH2" and resid 18   and name HD2 ))
 ASSI { 2387}
   (( segid "PAH2" and resid 18   and name HG3 ))
   (( segid "PAH2" and resid 18   and name HB3 ))
      2.900     1.000     1.000 peak  2387 weight  0.10000E+01 volume  0.16645E-02 ppm1      0.719 ppm2      1.250 CV     1
 ASSI { 2388}
   (( segid "PAH2" and resid 18   and name HG3 ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.700     0.900     0.900 peak  2388 weight  0.10000E+01 volume  0.23422E-02 ppm1      0.719 ppm2      1.589 CV     1
 ASSI { 2389}
   (( segid "PAH2" and resid 18   and name HD2 ))
   (( segid "PAH2" and resid 18   and name HB3 ))
      3.100     1.200     1.200 peak  2389 weight  0.10000E+01 volume  0.10273E-02 ppm1      1.382 ppm2      1.250 CV     1
 ASSI { 2390}
   (( segid "PAH2" and resid 18   and name HD2 ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.900     1.000     1.000 peak  2390 weight  0.10000E+01 volume  0.16624E-02 ppm1      1.382 ppm2      1.614 CV     1
 ASSI { 2391}
   (( segid "PAH2" and resid 18   and name HD3 ))
   (( segid "PAH2" and resid 18   and name HB3 ))
      3.000     1.100     1.100 peak  2391 weight  0.10000E+01 volume  0.14251E-02 ppm1      1.465 ppm2      1.250 CV     1
 ASSI { 2392}
   (( segid "PAH2" and resid 18   and name HD3 ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.300     0.700     0.700 peak  2392 weight  0.10000E+01 volume  0.61735E-02 ppm1      1.465 ppm2      1.614 CV     1
 ASSI { 2393}
   (( segid "PAH2" and resid 18   and name HE3 ))
   (( segid "PAH2" and resid 18   and name HB2 ))
      2.500     0.800     0.800 peak  2393 weight  0.10000E+01 volume  0.35933E-02 ppm1      2.801 ppm2      1.601 CV     1
 OR { 2393}
   (( segid "PAH2" and resid 18   and name HE2 ))
   (( segid "PAH2" and resid 18   and name HB2 ))
 ASSI { 2394}
   (( segid "PAH2" and resid 18   and name HE3 ))
   (( segid "PAH2" and resid 18   and name HB3 ))
      2.800     1.000     1.000 peak  2394 weight  0.10000E+01 volume  0.17945E-02 ppm1      2.802 ppm2      1.250 CV     1
 OR { 2394}
   (( segid "PAH2" and resid 18   and name HE2 ))
   (( segid "PAH2" and resid 18   and name HB3 ))
 ASSI { 2395}
   (( segid "PAH2" and resid 18   and name HB3 ))
   (  segid "PAH2" and resid 28   and name HE% )
      6.000     6.000     0.000 peak  2395 weight  0.10000E+01 volume  0.69622E-05 ppm1      1.250 ppm2      6.757 CV     1
 ASSI { 2396}
   (( segid "PAH2" and resid 18   and name HA  ))
   (( segid "PAH2" and resid 21   and name HN  ))
      3.800     1.800     1.800 peak  2396 weight  0.10000E+01 volume  0.30569E-03 ppm1      3.098 ppm2      7.264 CV     1
 OR { 2396}
   (( segid "PAH2" and resid 18   and name HA  ))
   (  segid "PAH2" and resid 21   and name HD% )
 ASSI { 2399}
   (( segid "PAH2" and resid 20   and name HB2 ))
   (( segid "PAH2" and resid 20   and name HG2 ))
      4.200     2.200     1.800 peak  2399 weight  0.10000E+01 volume  0.18371E-03 ppm1      1.111 ppm2      0.902 CV     1
 ASSI { 2400}
   (( segid "PAH2" and resid 21   and name HB2 ))
   (( segid "PAH2" and resid 21   and name HA  ))
      3.000     1.200     1.200 peak  2400 weight  0.10000E+01 volume  0.12198E-02 ppm1      3.936 ppm2      4.996 CV     1
 ASSI { 2401}
   (( segid "PAH2" and resid 21   and name HB3 ))
   (( segid "PAH2" and resid 21   and name HA  ))
      4.000     2.000     2.000 peak  2401 weight  0.10000E+01 volume  0.25035E-03 ppm1      2.436 ppm2      4.995 CV     1
 ASSI { 2403}
   (( segid "PAH2" and resid 22   and name HB3 ))
   (( segid "PAH2" and resid 22   and name HB2 ))
      1.900     0.400     0.400 peak  2403 weight  0.10000E+01 volume  0.23756E-01 ppm1      1.588 ppm2      1.827 CV     1
 ASSI { 2404}
   (( segid "PAH2" and resid 23   and name HB2 ))
   (( segid "PAH2" and resid 24   and name HN  ))
      4.100     2.100     1.900 peak  2404 weight  0.10000E+01 volume  0.20893E-03 ppm1      2.577 ppm2      7.726 CV     1
 ASSI { 2405}
   (( segid "PAH2" and resid 23   and name HB3 ))
   (( segid "PAH2" and resid 24   and name HN  ))
      4.700     2.800     1.300 peak  2405 weight  0.10000E+01 volume  0.86103E-04 ppm1      2.541 ppm2      7.726 CV     1
 ASSI { 2406}
   (( segid "PAH2" and resid 23   and name HB3 ))
   (( segid "PAH2" and resid 24   and name HD2 ))
      6.000     6.000     0.000 peak  2406 weight  0.10000E+01 volume  0.81699E-05 ppm1      2.541 ppm2      7.401 CV     1
 ASSI { 2407}
   (( segid "PAH2" and resid 23   and name HB2 ))
   (( segid "PAH2" and resid 24   and name HD2 ))
      6.000     4.400     0.000 peak  2407 weight  0.10000E+01 volume  0.21596E-04 ppm1      2.576 ppm2      7.401 CV     1
 ASSI { 2408}
   (( segid "PAH2" and resid 25   and name HG2 ))
   (( segid "PAH2" and resid 26   and name HN  ))
      4.500     2.500     1.500 peak  2408 weight  0.10000E+01 volume  0.12284E-03 ppm1      2.112 ppm2     10.319 CV     1
 ASSI { 2409}
   (( segid "PAH2" and resid 25   and name HG3 ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      2.500     0.800     0.800 peak  2409 weight  0.10000E+01 volume  0.43848E-02 ppm1      2.174 ppm2      3.732 CV     1
 ASSI { 2410}
   (( segid "PAH2" and resid 25   and name HG2 ))
   (( segid "PAH2" and resid 25   and name HD2 ))
      2.100     0.600     0.600 peak  2410 weight  0.10000E+01 volume  0.97612E-02 ppm1      2.114 ppm2      3.732 CV     1
 ASSI { 2412}
   (( segid "PAH2" and resid 26   and name HA  ))
   (( segid "PAH2" and resid 26   and name HG2 ))
      2.800     1.000     1.000 peak  2412 weight  0.10000E+01 volume  0.19110E-02 ppm1      4.225 ppm2      2.560 CV     1
 ASSI { 2413}
   (( segid "PAH2" and resid 26   and name HG3 ))
   (( segid "PAH2" and resid 27   and name HG13))
      4.100     2.100     1.900 peak  2413 weight  0.10000E+01 volume  0.20396E-03 ppm1      2.336 ppm2      1.543 CV     1
 OR { 2413}
   (( segid "PAH2" and resid 26   and name HG3 ))
   (( segid "PAH2" and resid 27   and name HB  ))
 ASSI { 2414}
   (( segid "PAH2" and resid 26   and name HG2 ))
   (( segid "PAH2" and resid 27   and name HG13))
      4.500     2.500     1.500 peak  2414 weight  0.10000E+01 volume  0.11715E-03 ppm1      2.554 ppm2      1.543 CV     1
 OR { 2414}
   (( segid "PAH2" and resid 26   and name HG2 ))
   (( segid "PAH2" and resid 27   and name HB  ))
 ASSI { 2415}
   (( segid "PAH2" and resid 27   and name HA  ))
   (( segid "PAH2" and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak  2415 weight  0.10000E+01 volume  0.93420E-03 ppm1      3.674 ppm2      3.895 CV     1
 OR { 2415}
   (( segid "PAH2" and resid 27   and name HA  ))
   (( segid "PAH2" and resid 30   and name HB3 ))
 ASSI { 2417}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 26   and name HG2 ))
      3.600     1.600     1.600 peak  2417 weight  0.10000E+01 volume  0.45097E-03 ppm1      0.739 ppm2      2.519 CV     1
 ASSI { 2418}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 26   and name HG3 ))
      3.300     1.400     1.400 peak  2418 weight  0.10000E+01 volume  0.74026E-03 ppm1      0.739 ppm2      2.351 CV     1
 ASSI { 2420}
   (( segid "PAH2" and resid 28   and name HA  ))
   (  segid "PAH2" and resid 27   and name HG2%)
      4.400     2.400     1.600 peak  2420 weight  0.10000E+01 volume  0.13875E-03 ppm1      4.206 ppm2     -0.010 CV     1
 ASSI { 2421}
   (( segid "PAH2" and resid 29   and name HD3 ))
   (( segid "PAH2" and resid 29   and name HN  ))
      6.000     4.400     0.000 peak  2421 weight  0.10000E+01 volume  0.21455E-04 ppm1      3.239 ppm2      8.299 CV     1
 ASSI { 2422}
   (( segid "PAH2" and resid 29   and name HD2 ))
   (( segid "PAH2" and resid 29   and name HN  ))
      4.200     2.200     1.800 peak  2422 weight  0.10000E+01 volume  0.17803E-03 ppm1      3.172 ppm2      8.299 CV     1
 ASSI { 2425}
   (( segid "PAH2" and resid 29   and name HD2 ))
   (  segid "PAH2" and resid 32   and name HD1%)
      4.000     2.000     2.000 peak  2425 weight  0.10000E+01 volume  0.24864E-03 ppm1      3.239 ppm2      0.616 CV     1
 OR { 2425}
   (( segid "PAH2" and resid 29   and name HD3 ))
   (  segid "PAH2" and resid 32   and name HD1%)
 ASSI { 2426}
   (( segid "PAH2" and resid 28   and name HA  ))
   (( segid "PAH2" and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak  2426 weight  0.10000E+01 volume  0.90223E-03 ppm1      4.206 ppm2      3.028 CV     1
 ASSI { 2429}
   (( segid "PAH2" and resid 31   and name HA  ))
   (( segid "PAH2" and resid 31   and name HB3 ))
      2.800     1.000     1.000 peak  2429 weight  0.10000E+01 volume  0.18492E-02 ppm1      3.880 ppm2      3.499 CV     1
 ASSI { 2431}
   (( segid "PAH2" and resid 31   and name HB3 ))
   (( segid "PAH2" and resid 32   and name HN  ))
      4.900     3.000     1.100 peak  2431 weight  0.10000E+01 volume  0.71042E-04 ppm1      3.498 ppm2      7.647 CV     1
 ASSI { 2432}
   (( segid "PAH2" and resid 31   and name HA  ))
   (( segid "PAH2" and resid 34   and name HN  ))
      3.200     1.200     1.200 peak  2432 weight  0.10000E+01 volume  0.96759E-03 ppm1      3.880 ppm2      8.001 CV     1
 ASSI { 2434}
   (( segid "PAH2" and resid 31   and name HA  ))
   (( segid "PAH2" and resid 34   and name HB  ))
      3.500     1.500     1.500 peak  2434 weight  0.10000E+01 volume  0.51705E-03 ppm1      3.880 ppm2      1.801 CV     1
 ASSI { 2436}
   (( segid "PAH2" and resid 31   and name HA  ))
   (( segid "PAH2" and resid 35   and name HN  ))
      4.700     2.700     1.300 peak  2436 weight  0.10000E+01 volume  0.92639E-04 ppm1      3.880 ppm2      7.347 CV     1
 ASSI { 2441}
   (( segid "PAH2" and resid 35   and name HG  ))
   (( segid "PAH2" and resid 32   and name HA  ))
      4.100     2.100     1.900 peak  2441 weight  0.10000E+01 volume  0.19061E-03 ppm1      1.363 ppm2      3.466 CV     1
 ASSI { 2443}
   (( segid "PAH2" and resid 35   and name HB3 ))
   (( segid "PAH2" and resid 32   and name HA  ))
      6.000     6.000     0.000 peak  2443 weight  0.10000E+01 volume  0.80278E-05 ppm1      1.724 ppm2      3.455 CV     1
 ASSI { 2444}
   (( segid "PAH2" and resid 36   and name HA  ))
   (  segid "MAD1" and resid 206  and name HD1%)
      3.600     1.700     1.700 peak  2444 weight  0.10000E+01 volume  0.41616E-03 ppm1      4.225 ppm2      0.466 CV     1
 ASSI { 2446}
   (( segid "PAH2" and resid 38   and name HB2 ))
   (( segid "PAH2" and resid 35   and name HA  ))
      4.100     2.100     1.900 peak  2446 weight  0.10000E+01 volume  0.19898E-03 ppm1      3.129 ppm2      3.839 CV     1
 ASSI { 2447}
   (( segid "PAH2" and resid 38   and name HB3 ))
   (( segid "PAH2" and resid 35   and name HA  ))
      6.000     6.000     0.000 peak  2447 weight  0.10000E+01 volume  0.50440E-05 ppm1      3.210 ppm2      3.839 CV     1
 ASSI { 2450}
   (( segid "PAH2" and resid 33   and name HA  ))
   (( segid "PAH2" and resid 36   and name HB3 ))
      2.300     0.600     0.600 peak  2450 weight  0.10000E+01 volume  0.73955E-02 ppm1      4.097 ppm2      3.265 CV     1
 ASSI { 2451}
   (( segid "PAH2" and resid 33   and name HA  ))
   (( segid "PAH2" and resid 36   and name HN  ))
      2.900     1.000     1.000 peak  2451 weight  0.10000E+01 volume  0.16909E-02 ppm1      4.097 ppm2      8.742 CV     1
 ASSI { 2454}
   (( segid "PAH2" and resid 38   and name HA  ))
   (( segid "PAH2" and resid 41   and name HN  ))
      5.300     3.400     0.700 peak  2454 weight  0.10000E+01 volume  0.45893E-04 ppm1      4.125 ppm2      7.902 CV     1
 ASSI { 2455}
   (( segid "PAH2" and resid 38   and name HB3 ))
   (( segid "PAH2" and resid 39   and name HN  ))
      4.900     3.000     1.100 peak  2455 weight  0.10000E+01 volume  0.71823E-04 ppm1      3.210 ppm2      8.389 CV     1
 ASSI { 2459}
   (( segid "PAH2" and resid 48   and name HB2 ))
   (( segid "PAH2" and resid 49   and name HD3 ))
      4.500     2.500     1.500 peak  2459 weight  0.10000E+01 volume  0.11473E-03 ppm1      1.698 ppm2      3.777 CV     1
 ASSI { 2461}
   (( segid "PAH2" and resid 48   and name HB3 ))
   (( segid "PAH2" and resid 49   and name HD3 ))
      3.900     1.900     1.900 peak  2461 weight  0.10000E+01 volume  0.28438E-03 ppm1      1.821 ppm2      3.777 CV     1
 ASSI { 2462}
   (( segid "PAH2" and resid 48   and name HG3 ))
   (( segid "PAH2" and resid 49   and name HD2 ))
      4.600     2.700     1.400 peak  2462 weight  0.10000E+01 volume  0.97185E-04 ppm1      1.563 ppm2      3.613 CV     1
 ASSI { 2463}
   (( segid "PAH2" and resid 48   and name HG3 ))
   (( segid "PAH2" and resid 49   and name HD3 ))
      4.500     2.600     1.500 peak  2463 weight  0.10000E+01 volume  0.11238E-03 ppm1      1.563 ppm2      3.765 CV     1
 ASSI { 2464}
   (( segid "PAH2" and resid 49   and name HD2 ))
   (( segid "PAH2" and resid 48   and name HD3 ))
      4.900     3.000     1.100 peak  2464 weight  0.10000E+01 volume  0.72534E-04 ppm1      3.596 ppm2      3.157 CV     1
 OR { 2464}
   (( segid "PAH2" and resid 49   and name HD2 ))
   (( segid "PAH2" and resid 48   and name HD2 ))
 ASSI { 2465}
   (( segid "PAH2" and resid 49   and name HD3 ))
   (( segid "PAH2" and resid 48   and name HD3 ))
      5.900     4.400     0.100 peak  2465 weight  0.10000E+01 volume  0.21739E-04 ppm1      3.765 ppm2      3.157 CV     1
 OR { 2465}
   (( segid "PAH2" and resid 49   and name HD3 ))
   (( segid "PAH2" and resid 48   and name HD2 ))
 ASSI { 2467}
   (( segid "PAH2" and resid 49   and name HA  ))
   (( segid "PAH2" and resid 50   and name HB2 ))
      3.000     1.100     1.100 peak  2467 weight  0.10000E+01 volume  0.12631E-02 ppm1      4.415 ppm2      3.039 CV     1
 OR { 2467}
   (( segid "PAH2" and resid 49   and name HA  ))
   (( segid "PAH2" and resid 50   and name HB3 ))
 ASSI { 2469}
   (( segid "PAH2" and resid 51   and name HA  ))
   (( segid "PAH2" and resid 51   and name HG3 ))
      2.200     0.600     0.600 peak  2469 weight  0.10000E+01 volume  0.84540E-02 ppm1      4.306 ppm2      1.565 CV     1
 OR { 2469}
   (( segid "PAH2" and resid 51   and name HA  ))
   (( segid "PAH2" and resid 51   and name HG2 ))
 ASSI { 2471}
   (( segid "PAH2" and resid 51   and name HB3 ))
   (( segid "PAH2" and resid 51   and name HG2 ))
      1.900     0.400     0.400 peak  2471 weight  0.10000E+01 volume  0.21604E-01 ppm1      1.674 ppm2      1.565 CV     1
 OR { 2471}
   (( segid "PAH2" and resid 51   and name HB3 ))
   (( segid "PAH2" and resid 51   and name HG3 ))
 ASSI { 2472}
   (( segid "PAH2" and resid 51   and name HB2 ))
   (( segid "PAH2" and resid 51   and name HG3 ))
      1.900     0.500     0.500 peak  2472 weight  0.10000E+01 volume  0.19771E-01 ppm1      1.809 ppm2      1.565 CV     1
 OR { 2472}
   (( segid "PAH2" and resid 51   and name HB2 ))
   (( segid "PAH2" and resid 51   and name HG2 ))
 ASSI { 2475}
   (( segid "PAH2" and resid 51   and name HD3 ))
   (( segid "PAH2" and resid 51   and name HN  ))
      4.400     2.500     1.600 peak  2475 weight  0.10000E+01 volume  0.12716E-03 ppm1      3.152 ppm2      8.330 CV     1
 OR { 2475}
   (( segid "PAH2" and resid 51   and name HD2 ))
   (( segid "PAH2" and resid 51   and name HN  ))
 ASSI { 2476}
   (( segid "PAH2" and resid 53   and name HG2 ))
   (( segid "PAH2" and resid 53   and name HN  ))
      4.800     2.900     1.200 peak  2476 weight  0.10000E+01 volume  0.75589E-04 ppm1      2.733 ppm2      8.380 CV     1
 ASSI { 2477}
   (( segid "PAH2" and resid 53   and name HG3 ))
   (( segid "PAH2" and resid 53   and name HN  ))
      4.500     2.500     1.500 peak  2477 weight  0.10000E+01 volume  0.12369E-03 ppm1      2.652 ppm2      8.380 CV     1
 ASSI { 2478}
   (( segid "PAH2" and resid 53   and name HB3 ))
   (  segid "PAH2" and resid 38   and name HD% )
      4.900     3.000     1.100 peak  2478 weight  0.10000E+01 volume  0.71397E-04 ppm1      1.922 ppm2      6.960 CV     1
 ASSI { 2479}
   (( segid "PAH2" and resid 53   and name HB3 ))
   (( segid "PAH2" and resid 54   and name HN  ))
      5.500     3.800     0.500 peak  2479 weight  0.10000E+01 volume  0.34029E-04 ppm1      1.922 ppm2      8.985 CV     1
 ASSI { 2480}
   (( segid "PAH2" and resid 53   and name HB2 ))
   (  segid "PAH2" and resid 38   and name HD% )
      4.600     2.700     1.400 peak  2480 weight  0.10000E+01 volume  0.10052E-03 ppm1      2.033 ppm2      6.960 CV     1
 ASSI { 2482}
   (( segid "PAH2" and resid 54   and name HB3 ))
   (( segid "PAH2" and resid 56   and name HN  ))
      4.500     2.500     1.500 peak  2482 weight  0.10000E+01 volume  0.12105E-03 ppm1      4.094 ppm2      8.857 CV     1
 ASSI { 2484}
   (( segid "PAH2" and resid 56   and name HA  ))
   (( segid "PAH2" and resid 57   and name HN  ))
      6.000     6.000     0.000 peak  2484 weight  0.10000E+01 volume  0.60386E-05 ppm1      4.040 ppm2      7.932 CV     1
 ASSI { 2485}
   (( segid "PAH2" and resid 58   and name HA  ))
   (( segid "PAH2" and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  2485 weight  0.10000E+01 volume  0.13434E-02 ppm1      3.583 ppm2      7.991 CV     1
 ASSI { 2487}
   (( segid "PAH2" and resid 60   and name HB  ))
   (( segid "PAH2" and resid 60   and name HN  ))
      2.300     0.700     0.700 peak  2487 weight  0.10000E+01 volume  0.57792E-02 ppm1      4.328 ppm2      8.354 CV     1
 ASSI { 2488}
   (( segid "PAH2" and resid 65   and name HA  ))
   (  segid "PAH2" and resid 27   and name HG2%)
      3.900     1.900     1.900 peak  2488 weight  0.10000E+01 volume  0.26562E-03 ppm1      4.045 ppm2     -0.027 CV     1
 ASSI { 2489}
   (( segid "PAH2" and resid 65   and name HA  ))
   (  segid "PAH2" and resid 62   and name HG1%)
      5.500     3.800     0.500 peak  2489 weight  0.10000E+01 volume  0.34385E-04 ppm1      4.045 ppm2     -0.226 CV     1
 ASSI { 2490}
   (( segid "PAH2" and resid 62   and name HA  ))
   (( segid "PAH2" and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak  2490 weight  0.10000E+01 volume  0.28850E-02 ppm1      2.977 ppm2      1.424 CV     1
 ASSI { 2493}
   (( segid "PAH2" and resid 65   and name HB3 ))
   (( segid "PAH2" and resid 62   and name HA  ))
      4.100     2.200     1.900 peak  2493 weight  0.10000E+01 volume  0.18826E-03 ppm1      1.472 ppm2      2.969 CV     1
 ASSI { 2494}
   (( segid "PAH2" and resid 65   and name HG  ))
   (( segid "PAH2" and resid 62   and name HA  ))
      5.200     3.400     0.800 peak  2494 weight  0.10000E+01 volume  0.47029E-04 ppm1      1.589 ppm2      2.969 CV     1
 ASSI { 2496}
   (  segid "PAH2" and resid 65   and name HD2%)
   (  segid "PAH2" and resid 62   and name HG1%)
      4.000     2.000     2.000 peak  2496 weight  0.10000E+01 volume  0.22329E-03 ppm1      0.774 ppm2     -0.226 CV     1
 ASSI { 2498}
   (( segid "PAH2" and resid 62   and name HA  ))
   (( segid "PAH2" and resid 31   and name HN  ))
      4.100     2.100     1.900 peak  2498 weight  0.10000E+01 volume  0.19962E-03 ppm1      2.977 ppm2      8.142 CV     1
 ASSI { 2499}
   (( segid "PAH2" and resid 63   and name HA  ))
   (( segid "PAH2" and resid 66   and name HN  ))
      3.800     1.800     1.800 peak  2499 weight  0.10000E+01 volume  0.32097E-03 ppm1      3.760 ppm2      8.259 CV     1
 ASSI { 2501}
   (( segid "PAH2" and resid 65   and name HA  ))
   (( segid "PAH2" and resid 67   and name HN  ))
      4.100     2.100     1.900 peak  2501 weight  0.10000E+01 volume  0.19608E-03 ppm1      4.045 ppm2      6.972 CV     1
 ASSI { 2504}
   (( segid "PAH2" and resid 67   and name HD2 ))
   (( segid "PAH2" and resid 67   and name HA  ))
      4.200     2.200     1.800 peak  2504 weight  0.10000E+01 volume  0.17093E-03 ppm1      3.313 ppm2      4.128 CV     1
 ASSI { 2505}
   (( segid "PAH2" and resid 67   and name HD3 ))
   (( segid "PAH2" and resid 67   and name HA  ))
      3.700     1.700     1.700 peak  2505 weight  0.10000E+01 volume  0.36914E-03 ppm1      3.275 ppm2      4.128 CV     1
 ASSI { 2507}
   (( segid "PAH2" and resid 67   and name HD3 ))
   (( segid "PAH2" and resid 64   and name HA  ))
      3.800     1.800     1.800 peak  2507 weight  0.10000E+01 volume  0.31451E-03 ppm1      3.275 ppm2      4.421 CV     1
 OR { 2507}
   (( segid "PAH2" and resid 67   and name HD2 ))
   (( segid "PAH2" and resid 64   and name HA  ))
 ASSI { 2508}
   (( segid "PAH2" and resid 67   and name HD2 ))
   (( segid "PAH2" and resid 67   and name HN  ))
      6.000     5.900     0.000 peak  2508 weight  0.10000E+01 volume  0.92355E-05 ppm1      3.313 ppm2      7.007 CV     1
 ASSI { 2509}
   (( segid "PAH2" and resid 67   and name HD3 ))
   (( segid "PAH2" and resid 67   and name HN  ))
      6.000     4.600     0.000 peak  2509 weight  0.10000E+01 volume  0.19395E-04 ppm1      3.268 ppm2      7.011 CV     1
 ASSI { 2510}
   (( segid "PAH2" and resid 67   and name HD2 ))
   (( segid "PAH2" and resid 68   and name HN  ))
      5.900     4.400     0.100 peak  2510 weight  0.10000E+01 volume  0.22734E-04 ppm1      3.313 ppm2      9.418 CV     1
 ASSI { 2513}
   (( segid "PAH2" and resid 67   and name HB3 ))
   (( segid "PAH2" and resid 68   and name HN  ))
      5.900     4.300     0.100 peak  2513 weight  0.10000E+01 volume  0.23515E-04 ppm1      2.006 ppm2      9.428 CV     1
 ASSI { 2517}
   (( segid "PAH2" and resid 73   and name HB3 ))
   (( segid "PAH2" and resid 70   and name HA  ))
      3.600     1.600     1.600 peak  2517 weight  0.10000E+01 volume  0.44920E-03 ppm1      2.053 ppm2      3.945 CV     1
 ASSI { 2518}
   (( segid "PAH2" and resid 73   and name HG  ))
   (( segid "PAH2" and resid 70   and name HA  ))
      5.200     3.400     0.800 peak  2518 weight  0.10000E+01 volume  0.49587E-04 ppm1      1.864 ppm2      3.938 CV     1
 ASSI { 2519}
   (( segid "PAH2" and resid 70   and name HA  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      6.000     5.700     0.000 peak  2519 weight  0.10000E+01 volume  0.10159E-04 ppm1      3.938 ppm2      8.330 CV     1
 ASSI { 2520}
   (( segid "PAH2" and resid 71   and name HA  ))
   (( segid "PAH2" and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak  2520 weight  0.10000E+01 volume  0.18769E-02 ppm1      4.416 ppm2      4.081 CV     1
 OR { 2520}
   (( segid "PAH2" and resid 71   and name HA  ))
   (( segid "PAH2" and resid 74   and name HB3 ))
 ASSI { 2521}
   (( segid "PAH2" and resid 71   and name HA  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      3.500     1.500     1.500 peak  2521 weight  0.10000E+01 volume  0.53608E-03 ppm1      4.417 ppm2      8.353 CV     1
 ASSI { 2524}
   (( segid "PAH2" and resid 72   and name HB2 ))
   (( segid "PAH2" and resid 72   and name HA  ))
      4.100     2.100     1.900 peak  2524 weight  0.10000E+01 volume  0.20034E-03 ppm1      1.657 ppm2      4.327 CV     1
 ASSI { 2525}
   (( segid "PAH2" and resid 72   and name HG  ))
   (( segid "PAH2" and resid 72   and name HA  ))
      4.100     2.100     1.900 peak  2525 weight  0.10000E+01 volume  0.20154E-03 ppm1      1.560 ppm2      4.300 CV     1
 ASSI { 2527}
   (( segid "PAH2" and resid 72   and name HB3 ))
   (( segid "PAH2" and resid 72   and name HN  ))
      4.400     2.400     1.600 peak  2527 weight  0.10000E+01 volume  0.13107E-03 ppm1      1.018 ppm2      7.785 CV     1
 ASSI { 2529}
   (( segid "PAH2" and resid 75   and name HB2 ))
   (( segid "PAH2" and resid 72   and name HA  ))
      3.000     1.100     1.100 peak  2529 weight  0.10000E+01 volume  0.13534E-02 ppm1      2.070 ppm2      4.314 CV     1
 ASSI { 2530}
   (( segid "PAH2" and resid 73   and name HA  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  2530 weight  0.10000E+01 volume  0.14159E-03 ppm1      4.397 ppm2      8.330 CV     1
 ASSI { 2532}
   (( segid "PAH2" and resid 73   and name HA  ))
   (( segid "PAH2" and resid 76   and name HB3 ))
      3.400     1.500     1.500 peak  2532 weight  0.10000E+01 volume  0.58957E-03 ppm1      4.397 ppm2      3.299 CV     1
 ASSI { 2533}
   (( segid "PAH2" and resid 73   and name HA  ))
   (( segid "PAH2" and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak  2533 weight  0.10000E+01 volume  0.14052E-02 ppm1      4.397 ppm2      4.090 CV     1
 ASSI { 2534}
   (  segid "PAH2" and resid 73   and name HD1%)
   (( segid "PAH2" and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  2534 weight  0.10000E+01 volume  0.13647E-03 ppm1      0.806 ppm2      8.344 CV     1
 ASSI { 2535}
   (( segid "PAH2" and resid 73   and name HA  ))
   (( segid "PAH2" and resid 76   and name HN  ))
      3.800     1.800     1.800 peak  2535 weight  0.10000E+01 volume  0.34427E-03 ppm1      4.397 ppm2      7.670 CV     1
 ASSI { 2536}
   (( segid "PAH2" and resid 74   and name HB3 ))
   (( segid "PAH2" and resid 71   and name HB3 ))
      3.700     1.700     1.700 peak  2536 weight  0.10000E+01 volume  0.35109E-03 ppm1      4.073 ppm2      2.854 CV     1
 OR { 2536}
   (( segid "PAH2" and resid 74   and name HB2 ))
   (( segid "PAH2" and resid 71   and name HB3 ))
 ASSI { 2537}
   (( segid "PAH2" and resid 74   and name HB3 ))
   (( segid "PAH2" and resid 75   and name HG3 ))
      3.600     1.600     1.600 peak  2537 weight  0.10000E+01 volume  0.45197E-03 ppm1      4.071 ppm2      2.363 CV     1
 ASSI { 2540}
   (( segid "PAH2" and resid 74   and name HB2 ))
   (( segid "PAH2" and resid 74   and name HN  ))
      2.000     0.500     0.500 peak  2540 weight  0.10000E+01 volume  0.15494E-01 ppm1      4.075 ppm2      8.341 CV     1
 OR { 2540}
   (( segid "PAH2" and resid 74   and name HB3 ))
   (( segid "PAH2" and resid 74   and name HN  ))
 ASSI { 2541}
   (( segid "PAH2" and resid 74   and name HB3 ))
   (( segid "PAH2" and resid 75   and name HN  ))
      2.100     0.500     0.500 peak  2541 weight  0.10000E+01 volume  0.11331E-01 ppm1      4.075 ppm2      7.947 CV     1
 ASSI { 2542}
   (( segid "PAH2" and resid 75   and name HA  ))
   (( segid "PAH2" and resid 76   and name HN  ))
      3.700     1.700     1.700 peak  2542 weight  0.10000E+01 volume  0.38895E-03 ppm1      4.068 ppm2      7.675 CV     1
 ASSI { 2548}
   (( segid "PAH2" and resid 75   and name HG3 ))
   (  segid "PAH2" and resid 13   and name HD% )
      4.000     2.000     2.000 peak  2548 weight  0.10000E+01 volume  0.22797E-03 ppm1      2.361 ppm2      6.968 CV     1
 ASSI { 2550}
   (( segid "PAH2" and resid 78   and name HA  ))
   (( segid "PAH2" and resid 80   and name HN  ))
      4.100     2.100     1.900 peak  2550 weight  0.10000E+01 volume  0.20247E-03 ppm1      3.867 ppm2      6.892 CV     1
 ASSI { 2551}
   (( segid "PAH2" and resid 78   and name HB3 ))
   (( segid "PAH2" and resid 78   and name HE22))
      6.000     5.700     0.000 peak  2551 weight  0.10000E+01 volume  0.10088E-04 ppm1      1.543 ppm2      6.904 CV     1
 ASSI { 2552}
   (( segid "PAH2" and resid 78   and name HB2 ))
   (( segid "PAH2" and resid 78   and name HE22))
      5.600     3.900     0.400 peak  2552 weight  0.10000E+01 volume  0.32821E-04 ppm1      1.633 ppm2      6.904 CV     1
 ASSI { 2553}
   (( segid "PAH2" and resid 78   and name HG2 ))
   (( segid "PAH2" and resid 78   and name HE22))
      3.800     1.800     1.800 peak  2553 weight  0.10000E+01 volume  0.30597E-03 ppm1      1.590 ppm2      6.978 CV     1
 ASSI { 2555}
   (( segid "PAH2" and resid 80   and name HG  ))
   (( segid "PAH2" and resid 80   and name HA  ))
      5.200     3.300     0.800 peak  2555 weight  0.10000E+01 volume  0.50725E-04 ppm1      1.270 ppm2      4.656 CV     1
 ASSI { 2556}
   (( segid "PAH2" and resid 59   and name HB3 ))
   (  segid "PAH2" and resid 80   and name HD1%)
      3.300     1.300     1.300 peak  2556 weight  0.10000E+01 volume  0.78005E-03 ppm1      3.303 ppm2      0.719 CV     1
 ASSI { 2559}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 59   and name HN  ))
      4.400     2.400     1.600 peak  2559 weight  0.10000E+01 volume  0.13043E-03 ppm1      0.688 ppm2      8.358 CV     1
 ASSI { 2560}
   (( segid "PAH2" and resid 77   and name HA1 ))
   (  segid "PAH2" and resid 80   and name HD1%)
      4.200     2.200     1.800 peak  2560 weight  0.10000E+01 volume  0.16752E-03 ppm1      3.863 ppm2      0.673 CV     1
 ASSI { 2563}
   (( segid "PAH2" and resid 81   and name HB3 ))
   (( segid "PAH2" and resid 82   and name HN  ))
      5.900     4.400     0.100 peak  2563 weight  0.10000E+01 volume  0.22094E-04 ppm1      1.932 ppm2      9.147 CV     1
 ASSI { 2598}
   (( segid "PAH2" and resid 52   and name HA2 ))
   (( segid "PAH2" and resid 52   and name HA1 ))
      1.800     0.400     0.400 peak  2598 weight  0.10000E+01 volume  0.30250E-01 ppm1      3.785 ppm2      3.971 CV     1
 ASSI { 2600}
   (( segid "PAH2" and resid 52   and name HA1 ))
   (( segid "PAH2" and resid 53   and name HB2 ))
      3.000     1.200     1.200 peak  2600 weight  0.10000E+01 volume  0.12099E-02 ppm1      3.975 ppm2      2.032 CV     1
 ASSI { 2603}
   (( segid "PAH2" and resid 52   and name HA1 ))
   (( segid "PAH2" and resid 53   and name HN  ))
      2.400     0.700     0.700 peak  2603 weight  0.10000E+01 volume  0.44707E-02 ppm1      3.975 ppm2      8.380 CV     1
 ASSI { 2610}
   (( segid "PAH2" and resid 73   and name HB2 ))
   (( segid "PAH2" and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  2610 weight  0.10000E+01 volume  0.18109E-02 ppm1      1.832 ppm2      4.395 CV     1
 ASSI { 2614}
   (( segid "PAH2" and resid 64   and name HB2 ))
   (( segid "PAH2" and resid 64   and name HD21))
      2.400     0.700     0.700 peak  2614 weight  0.10000E+01 volume  0.50305E-02 ppm1      2.815 ppm2      7.669 CV     1
 OR { 2614}
   (( segid "PAH2" and resid 64   and name HB3 ))
   (( segid "PAH2" and resid 64   and name HD21))
 ASSI { 2617}
   (( segid "PAH2" and resid 38   and name HA  ))
   (  segid "PAH2" and resid 38   and name HE% )
      4.600     2.600     1.400 peak  2617 weight  0.10000E+01 volume  0.10635E-03 ppm1      4.129 ppm2      6.746 CV     1
 ASSI { 2619}
   (( segid "PAH2" and resid 39   and name HG3 ))
   (( segid "PAH2" and resid 39   and name HE21))
      3.700     1.700     1.700 peak  2619 weight  0.10000E+01 volume  0.40188E-03 ppm1      2.387 ppm2      6.823 CV     1
 ASSI { 2620}
   (( segid "PAH2" and resid 39   and name HG2 ))
   (( segid "PAH2" and resid 39   and name HE21))
      3.800     1.800     1.800 peak  2620 weight  0.10000E+01 volume  0.32566E-03 ppm1      2.355 ppm2      6.823 CV     1
 ASSI { 2627}
   (( segid "PAH2" and resid 38   and name HA  ))
   (  segid "PAH2" and resid 58   and name HG2%)
      3.400     1.500     1.500 peak  2627 weight  0.10000E+01 volume  0.60336E-03 ppm1      4.126 ppm2      0.833 CV     1
 ASSI { 2628}
   (  segid "PAH2" and resid 27   and name HG2%)
   (( segid "PAH2" and resid 66   and name HZ  ))
      5.200     3.400     0.800 peak  2628 weight  0.10000E+01 volume  0.46036E-04 ppm1     -0.023 ppm2      6.019 CV     1
 ASSI { 2632}
   (( segid "PAH2" and resid 29   and name HA  ))
   (  segid "PAH2" and resid 28   and name HE% )
      6.000     4.400     0.000 peak  2632 weight  0.10000E+01 volume  0.21596E-04 ppm1      3.758 ppm2      6.757 CV     1
 ASSI { 2634}
   (( segid "PAH2" and resid 29   and name HG3 ))
   (  segid "PAH2" and resid 28   and name HE% )
      5.900     4.400     0.100 peak  2634 weight  0.10000E+01 volume  0.22094E-04 ppm1      1.675 ppm2      6.757 CV     1
 ASSI { 2635}
   (( segid "PAH2" and resid 39   and name HA  ))
   (( segid "PAH2" and resid 42   and name HE22))
      4.200     2.200     1.800 peak  2635 weight  0.10000E+01 volume  0.18322E-03 ppm1      3.900 ppm2      6.783 CV     1
 ASSI { 2636}
   (( segid "PAH2" and resid 53   and name HG2 ))
   (  segid "PAH2" and resid 38   and name HE% )
      6.000     6.000     0.000 peak  2636 weight  0.10000E+01 volume  0.73173E-05 ppm1      2.733 ppm2      6.747 CV     1
 ASSI { 2637}
   (  segid "PAH2" and resid 53   and name HE% )
   (  segid "PAH2" and resid 38   and name HE% )
      4.800     2.800     1.200 peak  2637 weight  0.10000E+01 volume  0.83120E-04 ppm1      2.069 ppm2      6.759 CV     1
 ASSI { 2638}
   (( segid "PAH2" and resid 32   and name HG  ))
   (  segid "PAH2" and resid 31   and name HD% )
      3.800     1.800     1.800 peak  2638 weight  0.10000E+01 volume  0.31749E-03 ppm1      1.401 ppm2      6.862 CV     1
 ASSI { 2639}
   (( segid "PAH2" and resid 73   and name HG  ))
   (  segid "PAH2" and resid 66   and name HD% )
      5.900     4.400     0.100 peak  2639 weight  0.10000E+01 volume  0.22165E-04 ppm1      1.865 ppm2      6.607 CV     1
 ASSI { 2640}
   (( segid "PAH2" and resid 73   and name HA  ))
   (  segid "PAH2" and resid 76   and name HD% )
      5.000     3.100     1.000 peak  2640 weight  0.10000E+01 volume  0.63156E-04 ppm1      4.397 ppm2      7.380 CV     1
 ASSI { 2643}
   (  segid "PAH2" and resid 5    and name HG2%)
   (( segid "PAH2" and resid 6    and name HG3 ))
      3.300     1.300     1.300 peak  2643 weight  0.10000E+01 volume  0.81130E-03 ppm1      1.030 ppm2      2.373 CV     1
 OR { 2643}
   (  segid "PAH2" and resid 5    and name HG2%)
   (( segid "PAH2" and resid 6    and name HG2 ))
 ASSI { 2646}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "MAD1" and resid 208  and name HN  ))
      5.100     3.300     0.900 peak  2646 weight  0.10000E+01 volume  0.52216E-04 ppm1      1.443 ppm2      8.834 CV     1
 ASSI { 2647}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "MAD1" and resid 205  and name HN  ))
      5.200     3.400     0.800 peak  2647 weight  0.10000E+01 volume  0.47029E-04 ppm1      1.443 ppm2      7.653 CV     1
 ASSI { 2648}
   (  segid "PAH2" and resid 10   and name HB% )
   (  segid "MAD1" and resid 208  and name HB% )
      2.100     0.500     0.500 peak  2648 weight  0.10000E+01 volume  0.11949E-01 ppm1      1.443 ppm2      1.281 CV     1
 ASSI { 2649}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "PAH2" and resid 11   and name HG12))
      2.900     1.000     1.000 peak  2649 weight  0.10000E+01 volume  0.17399E-02 ppm1      1.443 ppm2      1.142 CV     1
 ASSI { 2650}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "PAH2" and resid 11   and name HG13))
      5.900     4.300     0.100 peak  2650 weight  0.10000E+01 volume  0.22876E-04 ppm1      1.443 ppm2      0.556 CV     1
 ASSI { 2652}
   (  segid "PAH2" and resid 11   and name HG2%)
   (  segid "MAD1" and resid 208  and name HB% )
      2.800     1.000     1.000 peak  2652 weight  0.10000E+01 volume  0.21895E-02 ppm1      0.898 ppm2      1.290 CV     1
 ASSI { 2653}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 14   and name HB  ))
      2.700     0.900     0.900 peak  2653 weight  0.10000E+01 volume  0.24148E-02 ppm1      0.898 ppm2      2.015 CV     1
 ASSI { 2655}
   (  segid "PAH2" and resid 11   and name HD1%)
   (  segid "MAD1" and resid 208  and name HB% )
      2.600     0.800     0.800 peak  2655 weight  0.10000E+01 volume  0.33795E-02 ppm1      0.374 ppm2      1.296 CV     1
 ASSI { 2656}
   (  segid "PAH2" and resid 11   and name HD1%)
   (  segid "PAH2" and resid 10   and name HB% )
      3.500     1.600     1.600 peak  2656 weight  0.10000E+01 volume  0.48266E-03 ppm1      0.374 ppm2      1.416 CV     1
 ASSI { 2657}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 14   and name HB  ))
      3.300     1.300     1.300 peak  2657 weight  0.10000E+01 volume  0.80704E-03 ppm1      0.374 ppm2      2.014 CV     1
 ASSI { 2660}
   (( segid "PAH2" and resid 11   and name HG13))
   (  segid "MAD1" and resid 211  and name HD% )
      5.400     3.600     0.600 peak  2660 weight  0.10000E+01 volume  0.38718E-04 ppm1      0.547 ppm2      7.149 CV     1
 ASSI { 2661}
   (( segid "PAH2" and resid 11   and name HG12))
   (( segid "MAD1" and resid 208  and name HA  ))
      4.200     2.300     1.800 peak  2661 weight  0.10000E+01 volume  0.16411E-03 ppm1      1.143 ppm2      4.096 CV     1
 ASSI { 2663}
   (( segid "PAH2" and resid 13   and name HB2 ))
   (  segid "MAD1" and resid 205  and name HD2%)
      6.000     6.000     0.000 peak  2663 weight  0.10000E+01 volume  0.49019E-05 ppm1      3.487 ppm2      0.186 CV     1
 ASSI { 2664}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "MAD1" and resid 209  and name HN  ))
      3.300     1.300     1.300 peak  2664 weight  0.10000E+01 volume  0.79567E-03 ppm1      1.246 ppm2      8.462 CV     1
 ASSI { 2665}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "MAD1" and resid 208  and name HN  ))
      5.100     3.200     0.900 peak  2665 weight  0.10000E+01 volume  0.56266E-04 ppm1      1.246 ppm2      8.802 CV     1
 ASSI { 2673}
   (  segid "PAH2" and resid 14   and name HG2%)
   (  segid "MAD1" and resid 205  and name HD1%)
      3.300     1.300     1.300 peak  2673 weight  0.10000E+01 volume  0.79070E-03 ppm1      1.246 ppm2      0.841 CV     1
 ASSI { 2674}
   (  segid "PAH2" and resid 14   and name HG2%)
   (  segid "PAH2" and resid 32   and name HD2%)
      3.600     1.600     1.600 peak  2674 weight  0.10000E+01 volume  0.47306E-03 ppm1      1.246 ppm2      0.612 CV     1
 ASSI { 2679}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "PAH2" and resid 29   and name HA  ))
      4.700     2.800     1.300 peak  2679 weight  0.10000E+01 volume  0.83900E-04 ppm1      0.612 ppm2      3.769 CV     1
 ASSI { 2680}
   (  segid "PAH2" and resid 35   and name HD2%)
   (  segid "MAD1" and resid 205  and name HD2%)
      3.700     1.700     1.700 peak  2680 weight  0.10000E+01 volume  0.40026E-03 ppm1      0.553 ppm2      0.208 CV     1
 ASSI { 2681}
   (  segid "PAH2" and resid 35   and name HD1%)
   (  segid "MAD1" and resid 205  and name HD2%)
      3.500     1.500     1.500 peak  2681 weight  0.10000E+01 volume  0.54070E-03 ppm1      0.415 ppm2      0.208 CV     1
 ASSI { 2682}
   (  segid "PAH2" and resid 35   and name HD1%)
   (  segid "MAD1" and resid 202  and name HG2%)
      2.700     0.900     0.900 peak  2682 weight  0.10000E+01 volume  0.24061E-02 ppm1      0.415 ppm2      0.995 CV     1
 ASSI { 2683}
   (  segid "PAH2" and resid 35   and name HD1%)
   (  segid "MAD1" and resid 205  and name HD1%)
      2.700     0.900     0.900 peak  2683 weight  0.10000E+01 volume  0.24808E-02 ppm1      0.415 ppm2      0.872 CV     1
 ASSI { 2684}
   (  segid "PAH2" and resid 35   and name HD2%)
   (  segid "MAD1" and resid 205  and name HD1%)
      2.400     0.700     0.700 peak  2684 weight  0.10000E+01 volume  0.54794E-02 ppm1      0.553 ppm2      0.882 CV     1
 ASSI { 2686}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "MAD1" and resid 202  and name HG13))
      2.800     1.000     1.000 peak  2686 weight  0.10000E+01 volume  0.19615E-02 ppm1      0.553 ppm2      1.587 CV     1
 ASSI { 2687}
   (( segid "PAH2" and resid 79   and name HB2 ))
   (  segid "MAD1" and resid 205  and name HD1%)
      4.200     2.200     1.800 peak  2687 weight  0.10000E+01 volume  0.17832E-03 ppm1      2.456 ppm2      0.871 CV     1
 ASSI { 2688}
   (( segid "PAH2" and resid 79   and name HB3 ))
   (  segid "MAD1" and resid 205  and name HD1%)
      5.200     3.400     0.800 peak  2688 weight  0.10000E+01 volume  0.48735E-04 ppm1      2.973 ppm2      0.871 CV     1
 ASSI { 2690}
   (  segid "PAH2" and resid 11   and name HD1%)
   (  segid "PAH2" and resid 7    and name HD% )
      2.600     0.900     0.900 peak  2690 weight  0.10000E+01 volume  0.28068E-02 ppm1      0.374 ppm2      7.223 CV     1
 ASSI { 2691}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 66   and name HZ  ))
      6.000     6.000     0.000 peak  2691 weight  0.10000E+01 volume  0.80278E-05 ppm1      0.182 ppm2      5.988 CV     1
 ASSI { 2692}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 66   and name HB2 ))
      4.300     2.300     1.700 peak  2692 weight  0.10000E+01 volume  0.15068E-03 ppm1      0.182 ppm2      2.972 CV     1
 ASSI { 2693}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 69   and name HG3 ))
      3.400     1.400     1.400 peak  2693 weight  0.10000E+01 volume  0.62396E-03 ppm1      0.182 ppm2      2.262 CV     1
 OR { 2693}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 69   and name HG2 ))
 ASSI { 2695}
   (( segid "PAH2" and resid 11   and name HA  ))
   (  segid "MAD1" and resid 212  and name HD1%)
      2.800     1.000     1.000 peak  2695 weight  0.10000E+01 volume  0.20346E-02 ppm1      3.438 ppm2      0.960 CV     1
 ASSI { 2700}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "MAD1" and resid 209  and name HN  ))
      6.000     6.000     0.000 peak  2700 weight  0.10000E+01 volume  0.87381E-05 ppm1      0.612 ppm2      8.463 CV     1
 ASSI { 2701}
   (  segid "PAH2" and resid 34   and name HD1%)
   (  segid "PAH2" and resid 62   and name HG1%)
      4.200     2.200     1.800 peak  2701 weight  0.10000E+01 volume  0.17987E-03 ppm1      0.703 ppm2     -0.212 CV     1
 ASSI { 2702}
   (( segid "PAH2" and resid 35   and name HB3 ))
   (  segid "MAD1" and resid 202  and name HG2%)
      4.300     2.300     1.700 peak  2702 weight  0.10000E+01 volume  0.15032E-03 ppm1      1.724 ppm2      1.030 CV     1
 ASSI { 2703}
   (( segid "PAH2" and resid 39   and name HG3 ))
   (  segid "MAD1" and resid 202  and name HG2%)
      3.300     1.300     1.300 peak  2703 weight  0.10000E+01 volume  0.81058E-03 ppm1      2.387 ppm2      1.000 CV     1
 OR { 2703}
   (( segid "PAH2" and resid 39   and name HG2 ))
   (  segid "MAD1" and resid 202  and name HG2%)
 ASSI { 2709}
   (( segid "PAH2" and resid 64   and name HB2 ))
   (( segid "PAH2" and resid 61   and name HN  ))
      3.400     1.400     1.400 peak  2709 weight  0.10000E+01 volume  0.67568E-03 ppm1      2.815 ppm2      7.985 CV     1
 OR { 2709}
   (( segid "PAH2" and resid 64   and name HB3 ))
   (( segid "PAH2" and resid 61   and name HN  ))
 ASSI { 2722}
   (( segid "PAH2" and resid 16   and name HD2 ))
   (( segid "PAH2" and resid 16   and name HN  ))
      4.100     2.100     1.900 peak  2722 weight  0.10000E+01 volume  0.20659E-03 ppm1      1.659 ppm2      7.990 CV     1
 OR { 2722}
   (( segid "PAH2" and resid 16   and name HD3 ))
   (( segid "PAH2" and resid 16   and name HN  ))
 ASSI { 2725}
   (( segid "PAH2" and resid 18   and name HD2 ))
   (( segid "PAH2" and resid 18   and name HN  ))
      6.000     6.000     0.000 peak  2725 weight  0.10000E+01 volume  0.78146E-05 ppm1      1.388 ppm2      8.389 CV     1
 OR { 2725}
   (( segid "PAH2" and resid 18   and name HD3 ))
   (( segid "PAH2" and resid 18   and name HN  ))
 ASSI { 2727}
   (( segid "PAH2" and resid 18   and name HE3 ))
   (( segid "PAH2" and resid 18   and name HN  ))
      6.000     5.800     0.000 peak  2727 weight  0.10000E+01 volume  0.95196E-05 ppm1      2.808 ppm2      8.378 CV     1
 OR { 2727}
   (( segid "PAH2" and resid 18   and name HE2 ))
   (( segid "PAH2" and resid 18   and name HN  ))
 ASSI { 2729}
   (  segid "PAH2" and resid 19   and name HG2%)
   (( segid "PAH2" and resid 20   and name HN  ))
      2.300     0.700     0.700 peak  2729 weight  0.10000E+01 volume  0.58276E-02 ppm1      1.173 ppm2      7.965 CV     1
 ASSI { 2730}
   (( segid "PAH2" and resid 25   and name HB3 ))
   (( segid "PAH2" and resid 26   and name HN  ))
      5.900     4.400     0.100 peak  2730 weight  0.10000E+01 volume  0.22520E-04 ppm1      2.214 ppm2     10.313 CV     1
 ASSI { 2731}
   (  segid "PAH2" and resid 27   and name HG2%)
   (( segid "PAH2" and resid 69   and name HE22))
      4.300     2.300     1.700 peak  2731 weight  0.10000E+01 volume  0.15118E-03 ppm1     -0.021 ppm2      7.537 CV     1
 ASSI { 2732}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 69   and name HE22))
      3.500     1.500     1.500 peak  2732 weight  0.10000E+01 volume  0.55825E-03 ppm1      0.739 ppm2      7.470 CV     1
 ASSI { 2733}
   (  segid "PAH2" and resid 27   and name HD1%)
   (( segid "PAH2" and resid 24   and name HN  ))
      3.700     1.700     1.700 peak  2733 weight  0.10000E+01 volume  0.35691E-03 ppm1      0.733 ppm2      7.719 CV     1
 ASSI { 2734}
   (  segid "PAH2" and resid 32   and name HD1%)
   (  segid "PAH2" and resid 31   and name HD% )
      3.100     1.200     1.200 peak  2734 weight  0.10000E+01 volume  0.11459E-02 ppm1      0.613 ppm2      6.845 CV     1
 ASSI { 2743}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "PAH2" and resid 9    and name HB3 ))
      3.700     1.700     1.700 peak  2743 weight  0.10000E+01 volume  0.39598E-03 ppm1      1.443 ppm2      3.112 CV     1
 ASSI { 2744}
   (  segid "PAH2" and resid 14   and name HG2%)
   (  segid "MAD1" and resid 212  and name HD1%)
      2.800     1.000     1.000 peak  2744 weight  0.10000E+01 volume  0.20659E-02 ppm1      1.247 ppm2      0.957 CV     1
 ASSI { 2746}
   (  segid "PAH2" and resid 35   and name HD1%)
   (( segid "MAD1" and resid 206  and name HA  ))
      3.200     1.300     1.300 peak  2746 weight  0.10000E+01 volume  0.82196E-03 ppm1      0.415 ppm2      3.934 CV     1
 ASSI { 2755}
   (  segid "PAH2" and resid 22   and name HD1%)
   (( segid "PAH2" and resid 22   and name HG  ))
      1.900     0.500     0.500 peak  2755 weight  0.10000E+01 volume  0.18123E-01 ppm1      0.901 ppm2      1.860 CV     1
 OR { 2755}
   (  segid "PAH2" and resid 22   and name HD1%)
   (( segid "PAH2" and resid 22   and name HB2 ))
 ASSI {  314}
   (( segid "PAH2" and resid 24   and name HD2 ))
   (( segid "PAH2" and resid 24   and name HA  ))
      3.400     1.500     1.500 peak   314 weight  0.10000E+01 volume  0.66885E-03 ppm1      7.385 ppm2      5.217 CV     1
 ASSI {  315}
   (( segid "PAH2" and resid 24   and name HD2 ))
   (( segid "PAH2" and resid 24   and name HB2 ))
      2.800     1.000     1.000 peak   315 weight  0.10000E+01 volume  0.23606E-02 ppm1      7.385 ppm2      3.464 CV     1
 ASSI {  316}
   (( segid "PAH2" and resid 24   and name HD2 ))
   (( segid "PAH2" and resid 24   and name HB3 ))
      2.500     0.800     0.800 peak   316 weight  0.10000E+01 volume  0.47146E-02 ppm1      7.385 ppm2      3.010 CV     1
 ASSI {  317}
   (( segid "PAH2" and resid 24   and name HD2 ))
   (( segid "PAH2" and resid 23   and name HB3 ))
      2.700     0.900     0.900 peak   317 weight  0.10000E+01 volume  0.27015E-02 ppm1      7.385 ppm2      2.569 CV     1
 OR {  317}
   (( segid "PAH2" and resid 24   and name HD2 ))
   (( segid "PAH2" and resid 23   and name HB2 ))
 ASSI {  318}
   (( segid "PAH2" and resid 24   and name HD2 ))
   (  segid "PAH2" and resid 27   and name HD1%)
      3.200     1.300     1.300 peak   318 weight  0.10000E+01 volume  0.95885E-03 ppm1      7.385 ppm2      0.766 CV     1
 ASSI {  319}
   (( segid "PAH2" and resid 24   and name HE1 ))
   (( segid "PAH2" and resid 24   and name HD2 ))
      5.100     3.300     0.900 peak   319 weight  0.10000E+01 volume  0.60092E-04 ppm1      8.556 ppm2      7.373 CV     1
 ASSI {  320}
   (( segid "PAH2" and resid 24   and name HD2 ))
   (( segid "PAH2" and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   320 weight  0.10000E+01 volume  0.59178E-03 ppm1      7.385 ppm2      8.640 CV     1
 ASSI {  321}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 36   and name HE1 ))
      3.700     1.700     1.700 peak   321 weight  0.10000E+01 volume  0.41019E-03 ppm1      7.098 ppm2      8.354 CV     1
 ASSI {  322}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 36   and name HN  ))
      3.200     1.200     1.200 peak   322 weight  0.10000E+01 volume  0.10647E-02 ppm1      7.098 ppm2      8.756 CV     1
 ASSI {  323}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 36   and name HA  ))
      3.500     1.600     1.600 peak   323 weight  0.10000E+01 volume  0.53429E-03 ppm1      7.098 ppm2      4.260 CV     1
 ASSI {  324}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 33   and name HA  ))
      3.000     1.100     1.100 peak   324 weight  0.10000E+01 volume  0.14239E-02 ppm1      7.098 ppm2      4.109 CV     1
 ASSI {  325}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak   325 weight  0.10000E+01 volume  0.21098E-02 ppm1      7.098 ppm2      3.305 CV     1
 ASSI {  326}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 36   and name HB3 ))
      2.700     0.900     0.900 peak   326 weight  0.10000E+01 volume  0.26911E-02 ppm1      7.098 ppm2      3.217 CV     1
 ASSI {  327}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 32   and name HB3 ))
      3.000     1.100     1.100 peak   327 weight  0.10000E+01 volume  0.14684E-02 ppm1      7.097 ppm2      1.758 CV     1
 ASSI {  329}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak   329 weight  0.10000E+01 volume  0.11222E-02 ppm1      7.098 ppm2      1.145 CV     1
 ASSI {  330}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (  segid "MAD1" and resid 206  and name HD2%)
      2.500     2.500     3.500 peak   330 weight  0.10000E+01 volume  0.40353E-02 ppm1      7.098 ppm2      0.630 CV     1
 ASSI {  331}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (  segid "MAD1" and resid 206  and name HD1%)
      2.700     0.900     0.900 peak   331 weight  0.10000E+01 volume  0.26911E-02 ppm1      7.098 ppm2      0.517 CV     1
 ASSI {  332}
   (( segid "PAH2" and resid 36   and name HE1 ))
   (( segid "PAH2" and resid 40   and name HG3 ))
      4.000     2.000     2.000 peak   332 weight  0.10000E+01 volume  0.24690E-03 ppm1      8.355 ppm2      1.472 CV     1
 OR {  332}
   (( segid "PAH2" and resid 36   and name HE1 ))
   (( segid "PAH2" and resid 40   and name HG2 ))
 ASSI {  333}
   (( segid "PAH2" and resid 36   and name HE1 ))
   (  segid "MAD1" and resid 206  and name HD2%)
      2.800     2.800     3.200 peak   333 weight  0.10000E+01 volume  0.21907E-02 ppm1      8.355 ppm2      0.618 CV     1
 ASSI {  334}
   (( segid "PAH2" and resid 36   and name HE1 ))
   (  segid "MAD1" and resid 206  and name HD1%)
      2.800     1.000     1.000 peak   334 weight  0.10000E+01 volume  0.22403E-02 ppm1      8.355 ppm2      0.505 CV     1
 ASSI {  335}
   (( segid "PAH2" and resid 44   and name HD2 ))
   (( segid "PAH2" and resid 44   and name HA  ))
      3.200     1.300     1.300 peak   335 weight  0.10000E+01 volume  0.94841E-03 ppm1      7.072 ppm2      4.686 CV     1
 ASSI {  336}
   (( segid "PAH2" and resid 44   and name HD2 ))
   (( segid "PAH2" and resid 43   and name HA  ))
      3.400     1.500     1.500 peak   336 weight  0.10000E+01 volume  0.65709E-03 ppm1      7.072 ppm2      4.249 CV     1
 ASSI {  337}
   (( segid "PAH2" and resid 44   and name HD2 ))
   (( segid "PAH2" and resid 44   and name HB3 ))
      2.400     2.400     3.600 peak   337 weight  0.10000E+01 volume  0.60013E-02 ppm1      7.072 ppm2      3.135 CV     1
 OR {  337}
   (( segid "PAH2" and resid 44   and name HD2 ))
   (( segid "PAH2" and resid 44   and name HB2 ))
 ASSI {  339}
   (( segid "PAH2" and resid 44   and name HD2 ))
   (( segid "PAH2" and resid 43   and name HB2 ))
      3.100     1.200     1.200 peak   339 weight  0.10000E+01 volume  0.11157E-02 ppm1      7.072 ppm2      1.697 CV     1
 ASSI {  340}
   (  segid "PAH2" and resid 13   and name HD% )
   (  segid "PAH2" and resid 13   and name HE% )
      2.000     0.500     0.500 peak   340 weight  0.10000E+01 volume  0.17427E-01 ppm1      7.007 ppm2      6.833 CV     1
 ASSI {  343}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 13   and name HN  ))
      3.100     3.100     2.900 peak   343 weight  0.10000E+01 volume  0.12972E-02 ppm1      7.007 ppm2      8.148 CV     1
 ASSI {  347}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 13   and name HB2 ))
      2.400     0.700     0.700 peak   347 weight  0.10000E+01 volume  0.55337E-02 ppm1      7.007 ppm2      3.495 CV     1
 ASSI {  348}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 13   and name HB3 ))
      2.300     0.700     0.700 peak   348 weight  0.10000E+01 volume  0.74788E-02 ppm1      7.007 ppm2      2.874 CV     1
 ASSI {  349}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 75   and name HB2 ))
      2.600     0.900     0.900 peak   349 weight  0.10000E+01 volume  0.32188E-02 ppm1      7.007 ppm2      2.056 CV     1
 ASSI {  350}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 75   and name HB3 ))
      2.600     0.800     0.800 peak   350 weight  0.10000E+01 volume  0.37505E-02 ppm1      7.007 ppm2      1.931 CV     1
 ASSI {  351}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 16   and name HD3 ))
      3.000     1.100     1.100 peak   351 weight  0.10000E+01 volume  0.15885E-02 ppm1      7.007 ppm2      1.671 CV     1
 OR {  351}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 16   and name HD2 ))
 ASSI {  352}
   (  segid "PAH2" and resid 13   and name HD% )
   (  segid "PAH2" and resid 14   and name HG2%)
      2.800     1.000     1.000 peak   352 weight  0.10000E+01 volume  0.22391E-02 ppm1      7.007 ppm2      1.249 CV     1
 ASSI {  353}
   (  segid "PAH2" and resid 13   and name HD% )
   (  segid "MAD1" and resid 205  and name HD1%)
      2.800     1.000     1.000 peak   353 weight  0.10000E+01 volume  0.20549E-02 ppm1      7.007 ppm2      0.864 CV     1
 ASSI {  355}
   (  segid "PAH2" and resid 13   and name HD% )
   (  segid "MAD1" and resid 205  and name HD2%)
      2.300     0.700     0.700 peak   355 weight  0.10000E+01 volume  0.66676E-02 ppm1      7.007 ppm2      0.207 CV     1
 ASSI {  357}
   (  segid "PAH2" and resid 13   and name HE% )
   (  segid "PAH2" and resid 66   and name HE% )
      3.000     1.100     1.100 peak   357 weight  0.10000E+01 volume  0.14487E-02 ppm1      6.825 ppm2      6.656 CV     1
 OR {  357}
   (  segid "PAH2" and resid 13   and name HE% )
   (  segid "PAH2" and resid 66   and name HD% )
 ASSI {  360}
   (  segid "PAH2" and resid 13   and name HE% )
   (  segid "PAH2" and resid 76   and name HD% )
      2.900     2.900     3.100 peak   360 weight  0.10000E+01 volume  0.16761E-02 ppm1      6.825 ppm2      7.395 CV     1
 ASSI {  365}
   (  segid "PAH2" and resid 13   and name HE% )
   (( segid "PAH2" and resid 75   and name HB2 ))
      2.600     0.900     0.900 peak   365 weight  0.10000E+01 volume  0.31587E-02 ppm1      6.825 ppm2      2.102 CV     1
 ASSI {  366}
   (  segid "PAH2" and resid 13   and name HE% )
   (( segid "PAH2" and resid 75   and name HB3 ))
      2.800     1.000     1.000 peak   366 weight  0.10000E+01 volume  0.20758E-02 ppm1      6.825 ppm2      1.930 CV     1
 ASSI {  367}
   (  segid "PAH2" and resid 13   and name HE% )
   (( segid "PAH2" and resid 72   and name HB3 ))
      3.400     1.500     1.500 peak   367 weight  0.10000E+01 volume  0.65448E-03 ppm1      6.825 ppm2      1.683 CV     1
 ASSI {  369}
   (  segid "PAH2" and resid 13   and name HE% )
   (  segid "MAD1" and resid 205  and name HD1%)
      3.400     1.500     1.500 peak   369 weight  0.10000E+01 volume  0.67538E-03 ppm1      6.825 ppm2      0.883 CV     1
 ASSI {  371}
   (  segid "PAH2" and resid 13   and name HE% )
   (  segid "MAD1" and resid 205  and name HD2%)
      3.200     1.300     1.300 peak   371 weight  0.10000E+01 volume  0.93926E-03 ppm1      6.825 ppm2      0.206 CV     1
 ASSI {  372}
   (  segid "PAH2" and resid 13   and name HE% )
   (  segid "PAH2" and resid 17   and name HD1%)
      3.100     1.200     1.200 peak   372 weight  0.10000E+01 volume  0.12646E-02 ppm1      6.825 ppm2      0.022 CV     1
 ASSI {  373}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 29   and name HN  ))
      2.800     0.900     0.900 peak   373 weight  0.10000E+01 volume  0.24115E-02 ppm1      7.048 ppm2      8.322 CV     1
 ASSI {  375}
   (  segid "PAH2" and resid 28   and name HD% )
   (  segid "PAH2" and resid 28   and name HE% )
      1.800     0.400     0.400 peak   375 weight  0.10000E+01 volume  0.26506E-01 ppm1      7.048 ppm2      6.752 CV     1
 ASSI {  377}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 29   and name HA  ))
      3.900     1.900     1.900 peak   377 weight  0.10000E+01 volume  0.32006E-03 ppm1      7.048 ppm2      3.770 CV     1
 ASSI {  378}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 28   and name HB2 ))
      2.200     0.600     0.600 peak   378 weight  0.10000E+01 volume  0.10012E-01 ppm1      7.048 ppm2      3.270 CV     1
 ASSI {  379}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 28   and name HB3 ))
      2.000     0.500     0.500 peak   379 weight  0.10000E+01 volume  0.15872E-01 ppm1      7.048 ppm2      3.152 CV     1
 ASSI {  381}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   381 weight  0.10000E+01 volume  0.14591E-02 ppm1      7.048 ppm2      1.881 CV     1
 ASSI {  382}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 29   and name HG3 ))
      3.300     1.400     1.400 peak   382 weight  0.10000E+01 volume  0.75637E-03 ppm1      7.048 ppm2      1.663 CV     1
 ASSI {  385}
   (  segid "PAH2" and resid 28   and name HD% )
   (  segid "PAH2" and resid 17   and name HG2%)
      2.100     0.500     0.500 peak   385 weight  0.10000E+01 volume  0.12520E-01 ppm1      7.048 ppm2      0.816 CV     1
 ASSI {  386}
   (  segid "PAH2" and resid 28   and name HD% )
   (  segid "PAH2" and resid 32   and name HD1%)
      2.700     0.900     0.900 peak   386 weight  0.10000E+01 volume  0.28060E-02 ppm1      7.048 ppm2      0.613 CV     1
 ASSI {  390}
   (  segid "PAH2" and resid 28   and name HE% )
   (( segid "PAH2" and resid 18   and name HE3 ))
      3.000     1.100     1.100 peak   390 weight  0.10000E+01 volume  0.13716E-02 ppm1      6.753 ppm2      2.813 CV     1
 OR {  390}
   (  segid "PAH2" and resid 28   and name HE% )
   (( segid "PAH2" and resid 18   and name HE2 ))
 ASSI {  393}
   (  segid "PAH2" and resid 28   and name HE% )
   (  segid "PAH2" and resid 14   and name HG1%)
      2.300     0.700     0.700 peak   393 weight  0.10000E+01 volume  0.75246E-02 ppm1      6.751 ppm2      1.196 CV     1
 ASSI {  394}
   (  segid "PAH2" and resid 28   and name HE% )
   (  segid "PAH2" and resid 17   and name HG2%)
      2.900     1.000     1.000 peak   394 weight  0.10000E+01 volume  0.18041E-02 ppm1      6.753 ppm2      0.815 CV     1
 ASSI {  395}
   (  segid "PAH2" and resid 28   and name HE% )
   (  segid "PAH2" and resid 32   and name HD1%)
      2.400     0.700     0.700 peak   395 weight  0.10000E+01 volume  0.52071E-02 ppm1      6.750 ppm2      0.620 CV     1
 ASSI {  396}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 39   and name HN  ))
      2.900     1.100     1.100 peak   396 weight  0.10000E+01 volume  0.16538E-02 ppm1      6.968 ppm2      8.392 CV     1
 ASSI {  398}
   (  segid "PAH2" and resid 38   and name HD% )
   (  segid "PAH2" and resid 38   and name HE% )
      1.900     0.400     0.400 peak   398 weight  0.10000E+01 volume  0.25918E-01 ppm1      6.968 ppm2      6.747 CV     1
 ASSI {  399}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 38   and name HA  ))
      2.400     0.700     0.700 peak   399 weight  0.10000E+01 volume  0.55846E-02 ppm1      6.968 ppm2      4.141 CV     1
 ASSI {  400}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   400 weight  0.10000E+01 volume  0.24755E-02 ppm1      6.968 ppm2      3.873 CV     1
 ASSI {  401}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 38   and name HB3 ))
      2.100     0.600     0.600 peak   401 weight  0.10000E+01 volume  0.10833E-01 ppm1      6.968 ppm2      3.180 CV     1
 OR {  401}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 38   and name HB2 ))
 ASSI {  402}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 53   and name HG3 ))
      3.200     1.200     1.200 peak   402 weight  0.10000E+01 volume  0.10738E-02 ppm1      6.968 ppm2      2.712 CV     1
 ASSI {  403}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 39   and name HG2 ))
      3.200     3.200     2.800 peak   403 weight  0.10000E+01 volume  0.10712E-02 ppm1      6.968 ppm2      2.387 CV     1
 OR {  403}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 39   and name HG3 ))
 ASSI {  405}
   (  segid "PAH2" and resid 38   and name HD% )
   (  segid "MAD1" and resid 202  and name HG2%)
      2.600     0.800     0.800 peak   405 weight  0.10000E+01 volume  0.33665E-02 ppm1      6.968 ppm2      0.994 CV     1
 ASSI {  406}
   (  segid "PAH2" and resid 38   and name HD% )
   (  segid "PAH2" and resid 58   and name HG2%)
      2.300     0.700     0.700 peak   406 weight  0.10000E+01 volume  0.72855E-02 ppm1      6.968 ppm2      0.838 CV     1
 ASSI {  407}
   (  segid "PAH2" and resid 38   and name HD% )
   (  segid "MAD1" and resid 206  and name HD2%)
      2.600     0.900     0.900 peak   407 weight  0.10000E+01 volume  0.31888E-02 ppm1      6.968 ppm2      0.598 CV     1
 ASSI {  409}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   409 weight  0.10000E+01 volume  0.11052E-02 ppm1      6.741 ppm2      3.859 CV     1
 ASSI {  410}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 38   and name HB3 ))
      3.300     1.400     1.400 peak   410 weight  0.10000E+01 volume  0.81124E-03 ppm1      6.742 ppm2      3.200 CV     1
 OR {  410}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 38   and name HB2 ))
 ASSI {  414}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "MAD1" and resid 202  and name HG13))
      4.400     2.500     1.600 peak   414 weight  0.10000E+01 volume  0.13977E-03 ppm1      6.742 ppm2      1.358 CV     1
 ASSI {  415}
   (  segid "PAH2" and resid 38   and name HE% )
   (  segid "MAD1" and resid 202  and name HG2%)
      3.200     1.300     1.300 peak   415 weight  0.10000E+01 volume  0.99021E-03 ppm1      6.742 ppm2      1.011 CV     1
 ASSI {  416}
   (  segid "PAH2" and resid 38   and name HE% )
   (  segid "PAH2" and resid 58   and name HG2%)
      2.800     2.800     3.200 peak   416 weight  0.10000E+01 volume  0.24324E-02 ppm1      6.742 ppm2      0.832 CV     1
 ASSI {  417}
   (  segid "PAH2" and resid 38   and name HE% )
   (  segid "MAD1" and resid 206  and name HD2%)
      3.000     3.000     3.000 peak   417 weight  0.10000E+01 volume  0.13207E-02 ppm1      6.742 ppm2      0.605 CV     1
 ASSI {  419}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "PAH2" and resid 8    and name HN  ))
      3.700     1.700     1.700 peak   419 weight  0.10000E+01 volume  0.39974E-03 ppm1      7.219 ppm2      8.401 CV     1
 ASSI {  420}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "PAH2" and resid 7    and name HN  ))
      3.300     1.400     1.400 peak   420 weight  0.10000E+01 volume  0.80601E-03 ppm1      7.221 ppm2      8.565 CV     1
 ASSI {  424}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "PAH2" and resid 7    and name HB2 ))
      2.400     0.700     0.700 peak   424 weight  0.10000E+01 volume  0.60301E-02 ppm1      7.219 ppm2      3.065 CV     1
 ASSI {  426}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "MAD1" and resid 207  and name HG2 ))
      3.400     1.400     1.400 peak   426 weight  0.10000E+01 volume  0.70935E-03 ppm1      7.219 ppm2      2.672 CV     1
 OR {  426}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "MAD1" and resid 207  and name HG3 ))
 ASSI {  428}
   (  segid "PAH2" and resid 7    and name HD% )
   (  segid "PAH2" and resid 10   and name HB% )
      3.200     1.300     1.300 peak   428 weight  0.10000E+01 volume  0.10176E-02 ppm1      7.221 ppm2      1.430 CV     1
 ASSI {  431}
   (  segid "PAH2" and resid 21   and name HD% )
   (( segid "PAH2" and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   431 weight  0.10000E+01 volume  0.53546E-02 ppm1      7.302 ppm2      5.012 CV     1
 ASSI {  433}
   (  segid "PAH2" and resid 21   and name HD% )
   (( segid "PAH2" and resid 24   and name HB2 ))
      3.400     1.500     1.500 peak   433 weight  0.10000E+01 volume  0.64794E-03 ppm1      7.303 ppm2      3.446 CV     1
 ASSI {  436}
   (  segid "PAH2" and resid 21   and name HD% )
   (( segid "PAH2" and resid 27   and name HG13))
      3.000     1.100     1.100 peak   436 weight  0.10000E+01 volume  0.15545E-02 ppm1      7.303 ppm2      1.529 CV     1
 ASSI {  439}
   (  segid "PAH2" and resid 21   and name HE% )
   (  segid "PAH2" and resid 21   and name HD% )
      2.100     0.600     0.600 peak   439 weight  0.10000E+01 volume  0.12391E-01 ppm1      6.890 ppm2      7.292 CV     1
 ASSI {  440}
   (  segid "PAH2" and resid 21   and name HE% )
   (( segid "PAH2" and resid 21   and name HB3 ))
      4.500     2.600     1.500 peak   440 weight  0.10000E+01 volume  0.12149E-03 ppm1      6.885 ppm2      3.900 CV     1
 ASSI {  441}
   (  segid "PAH2" and resid 21   and name HE% )
   (( segid "PAH2" and resid 69   and name HG3 ))
      4.100     2.100     1.900 peak   441 weight  0.10000E+01 volume  0.22731E-03 ppm1      6.885 ppm2      2.274 CV     1
 OR {  441}
   (  segid "PAH2" and resid 21   and name HE% )
   (( segid "PAH2" and resid 69   and name HG2 ))
 ASSI {  442}
   (  segid "PAH2" and resid 21   and name HE% )
   (  segid "PAH2" and resid 17   and name HG2%)
      2.600     2.600     3.400 peak   442 weight  0.10000E+01 volume  0.35284E-02 ppm1      6.887 ppm2      0.803 CV     1
 ASSI {  447}
   (  segid "PAH2" and resid 21   and name HE% )
   (( segid "PAH2" and resid 20   and name HG2 ))
      3.100     3.100     2.900 peak   447 weight  0.10000E+01 volume  0.11483E-02 ppm1      6.890 ppm2      0.447 CV     1
 ASSI {  450}
   (  segid "PAH2" and resid 31   and name HD% )
   (( segid "PAH2" and resid 31   and name HN  ))
      3.400     1.400     1.400 peak   450 weight  0.10000E+01 volume  0.73678E-03 ppm1      6.838 ppm2      8.120 CV     1
 ASSI {  466}
   (  segid "PAH2" and resid 66   and name HE% )
   (( segid "PAH2" and resid 66   and name HZ  ))
      4.100     2.100     1.900 peak   466 weight  0.10000E+01 volume  0.23906E-03 ppm1      6.682 ppm2      6.022 CV     1
 ASSI {  470}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 62   and name HG1%)
      4.000     2.000     2.000 peak   470 weight  0.10000E+01 volume  0.26780E-03 ppm1      6.682 ppm2     -0.203 CV     1
 ASSI {  472}
   (  segid "PAH2" and resid 66   and name HD% )
   (( segid "PAH2" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   472 weight  0.10000E+01 volume  0.40536E-02 ppm1      6.603 ppm2      4.909 CV     1
 ASSI {  474}
   (  segid "PAH2" and resid 66   and name HD% )
   (( segid "PAH2" and resid 66   and name HB2 ))
      3.300     1.300     1.300 peak   474 weight  0.10000E+01 volume  0.84782E-03 ppm1      6.603 ppm2      3.710 CV     1
 ASSI {  475}
   (  segid "PAH2" and resid 66   and name HD% )
   (( segid "PAH2" and resid 66   and name HB3 ))
      2.800     1.000     1.000 peak   475 weight  0.10000E+01 volume  0.21163E-02 ppm1      6.603 ppm2      2.949 CV     1
 ASSI {  477}
   (  segid "PAH2" and resid 66   and name HD% )
   (( segid "PAH2" and resid 72   and name HB3 ))
      3.200     1.300     1.300 peak   477 weight  0.10000E+01 volume  0.94710E-03 ppm1      6.603 ppm2      1.634 CV     1
 ASSI {  478}
   (  segid "PAH2" and resid 66   and name HD% )
   (( segid "PAH2" and resid 65   and name HB3 ))
      4.000     2.000     2.000 peak   478 weight  0.10000E+01 volume  0.25213E-03 ppm1      6.603 ppm2      1.373 CV     1
 ASSI {  481}
   (  segid "PAH2" and resid 66   and name HD% )
   (  segid "PAH2" and resid 27   and name HG2%)
      3.100     1.200     1.200 peak   481 weight  0.10000E+01 volume  0.12371E-02 ppm1      6.603 ppm2     -0.004 CV     1
 ASSI {  483}
   (  segid "PAH2" and resid 76   and name HD% )
   (  segid "PAH2" and resid 76   and name HE% )
      2.000     0.500     0.500 peak   483 weight  0.10000E+01 volume  0.18119E-01 ppm1      7.379 ppm2      7.088 CV     1
 ASSI {  486}
   (  segid "PAH2" and resid 76   and name HD% )
   (( segid "PAH2" and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   486 weight  0.10000E+01 volume  0.45134E-02 ppm1      7.379 ppm2      4.096 CV     1
 ASSI {  487}
   (  segid "PAH2" and resid 76   and name HD% )
   (( segid "PAH2" and resid 76   and name HB3 ))
      2.500     0.800     0.800 peak   487 weight  0.10000E+01 volume  0.47198E-02 ppm1      7.379 ppm2      3.308 CV     1
 ASSI {  488}
   (  segid "PAH2" and resid 76   and name HD% )
   (  segid "MAD1" and resid 205  and name HD1%)
      2.500     0.800     0.800 peak   488 weight  0.10000E+01 volume  0.48413E-02 ppm1      7.379 ppm2      0.871 CV     1
 ASSI {  489}
   (  segid "PAH2" and resid 76   and name HD% )
   (  segid "PAH2" and resid 80   and name HD1%)
      3.100     1.200     1.200 peak   489 weight  0.10000E+01 volume  0.10960E-02 ppm1      7.379 ppm2      0.699 CV     1
 OR {  489}
   (  segid "PAH2" and resid 76   and name HD% )
   (  segid "PAH2" and resid 80   and name HD2%)
 ASSI {  490}
   (  segid "PAH2" and resid 76   and name HD% )
   (  segid "MAD1" and resid 202  and name HD1%)
      3.300     1.400     1.400 peak   490 weight  0.10000E+01 volume  0.75767E-03 ppm1      7.379 ppm2      0.588 CV     1
 ASSI {  493}
   (  segid "PAH2" and resid 76   and name HE% )
   (( segid "PAH2" and resid 76   and name HZ  ))
      2.300     0.700     0.700 peak   493 weight  0.10000E+01 volume  0.73103E-02 ppm1      7.091 ppm2      6.847 CV     1
 ASSI {  496}
   (  segid "PAH2" and resid 76   and name HE% )
   (  segid "MAD1" and resid 205  and name HD1%)
      2.300     0.700     0.700 peak   496 weight  0.10000E+01 volume  0.64585E-02 ppm1      7.090 ppm2      0.859 CV     1
 ASSI {  497}
   (  segid "PAH2" and resid 76   and name HE% )
   (  segid "PAH2" and resid 80   and name HD1%)
      2.400     0.700     0.700 peak   497 weight  0.10000E+01 volume  0.55441E-02 ppm1      7.090 ppm2      0.711 CV     1
 OR {  497}
   (  segid "PAH2" and resid 76   and name HE% )
   (  segid "PAH2" and resid 80   and name HD2%)
 ASSI {  498}
   (  segid "PAH2" and resid 76   and name HE% )
   (  segid "MAD1" and resid 202  and name HD1%)
      2.400     0.700     0.700 peak   498 weight  0.10000E+01 volume  0.59713E-02 ppm1      7.090 ppm2      0.576 CV     1
 ASSI {  504}
   (( segid "PAH2" and resid 76   and name HZ  ))
   (  segid "PAH2" and resid 76   and name HD% )
      4.700     2.700     1.300 peak   504 weight  0.10000E+01 volume  0.10320E-03 ppm1      6.828 ppm2      7.382 CV     1
 ASSI {  506}
   (( segid "PAH2" and resid 76   and name HZ  ))
   (  segid "MAD1" and resid 202  and name HD1%)
      2.600     0.900     0.900 peak   506 weight  0.10000E+01 volume  0.33586E-02 ppm1      6.828 ppm2      0.588 CV     1
 ASSI {  508}
   (  segid "PAH2" and resid 79   and name HD% )
   (( segid "MAD1" and resid 201  and name HA  ))
      4.300     2.300     1.700 peak   508 weight  0.10000E+01 volume  0.16459E-03 ppm1      7.158 ppm2      5.317 CV     1
 ASSI {  510}
   (  segid "PAH2" and resid 79   and name HD% )
   (( segid "PAH2" and resid 79   and name HB3 ))
      2.500     0.800     0.800 peak   510 weight  0.10000E+01 volume  0.41633E-02 ppm1      7.158 ppm2      3.033 CV     1
 ASSI {    2}
   (( segid "MAD1" and resid 204  and name HA  ))
   (( segid "MAD1" and resid 208  and name HN  ))
      4.400     2.400     1.600 peak     2 weight  0.10000E+01 volume  0.14560E-03 ppm1      4.324 ppm2      8.839 CV     1
 ASSI {    3}
   (( segid "MAD1" and resid 208  and name HA  ))
   (( segid "MAD1" and resid 208  and name HN  ))
      2.800     1.000     1.000 peak     3 weight  0.10000E+01 volume  0.21411E-02 ppm1      4.109 ppm2      8.839 CV     1
 ASSI {    5}
   (( segid "MAD1" and resid 207  and name HB3 ))
   (( segid "MAD1" and resid 208  and name HN  ))
      2.900     1.000     1.000 peak     5 weight  0.10000E+01 volume  0.17605E-02 ppm1      2.392 ppm2      8.839 CV     1
 ASSI {    6}
   (  segid "MAD1" and resid 208  and name HB% )
   (( segid "MAD1" and resid 208  and name HN  ))
      2.300     0.700     0.700 peak     6 weight  0.10000E+01 volume  0.65857E-02 ppm1      1.316 ppm2      8.839 CV     1
 ASSI {    7}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 208  and name HN  ))
      3.400     1.400     1.400 peak     7 weight  0.10000E+01 volume  0.69986E-03 ppm1      4.240 ppm2      8.839 CV     1
 ASSI {    8}
   (( segid "MAD1" and resid 201  and name HB3 ))
   (( segid "MAD1" and resid 202  and name HN  ))
      3.100     1.200     1.200 peak     8 weight  0.10000E+01 volume  0.11986E-02 ppm1      3.295 ppm2      8.523 CV     1
 ASSI {    9}
   (( segid "MAD1" and resid 202  and name HA  ))
   (( segid "MAD1" and resid 202  and name HN  ))
      3.000     1.100     1.100 peak     9 weight  0.10000E+01 volume  0.14982E-02 ppm1      3.769 ppm2      8.523 CV     1
 ASSI {   10}
   (( segid "MAD1" and resid 201  and name HB2 ))
   (( segid "MAD1" and resid 202  and name HN  ))
      3.300     1.400     1.400 peak    10 weight  0.10000E+01 volume  0.81099E-03 ppm1      3.164 ppm2      8.523 CV     1
 ASSI {   11}
   (( segid "MAD1" and resid 202  and name HB  ))
   (( segid "MAD1" and resid 202  and name HN  ))
      2.600     0.800     0.800 peak    11 weight  0.10000E+01 volume  0.36266E-02 ppm1      2.095 ppm2      8.523 CV     1
 ASSI {   12}
   (( segid "MAD1" and resid 202  and name HG12))
   (( segid "MAD1" and resid 202  and name HN  ))
      3.500     1.600     1.600 peak    12 weight  0.10000E+01 volume  0.52120E-03 ppm1      1.347 ppm2      8.523 CV     1
 ASSI {   13}
   (  segid "MAD1" and resid 202  and name HG2%)
   (( segid "MAD1" and resid 202  and name HN  ))
      3.200     1.300     1.300 peak    13 weight  0.10000E+01 volume  0.91721E-03 ppm1      0.998 ppm2      8.523 CV     1
 ASSI {   14}
   (  segid "MAD1" and resid 202  and name HD1%)
   (( segid "MAD1" and resid 202  and name HN  ))
      3.600     1.600     1.600 peak    14 weight  0.10000E+01 volume  0.47126E-03 ppm1      0.591 ppm2      8.523 CV     1
 ASSI {   15}
   (( segid "MAD1" and resid 202  and name HG13))
   (( segid "MAD1" and resid 202  and name HN  ))
      3.200     1.300     1.300 peak    15 weight  0.10000E+01 volume  0.94464E-03 ppm1      1.639 ppm2      8.523 CV     1
 ASSI {   16}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 207  and name HN  ))
      2.700     0.900     0.900 peak    16 weight  0.10000E+01 volume  0.28494E-02 ppm1      4.240 ppm2      8.462 CV     1
 ASSI {   17}
   (( segid "MAD1" and resid 209  and name HA  ))
   (( segid "MAD1" and resid 209  and name HN  ))
      2.600     0.900     0.900 peak    17 weight  0.10000E+01 volume  0.30520E-02 ppm1      4.151 ppm2      8.458 CV     1
 ASSI {   19}
   (( segid "MAD1" and resid 207  and name HG3 ))
   (( segid "MAD1" and resid 207  and name HN  ))
      2.800     2.800     3.200 peak    19 weight  0.10000E+01 volume  0.20721E-02 ppm1      2.637 ppm2      8.462 CV     1
 OR {   19}
   (( segid "MAD1" and resid 207  and name HG2 ))
   (( segid "MAD1" and resid 207  and name HN  ))
 ASSI {   20}
   (( segid "MAD1" and resid 207  and name HB3 ))
   (( segid "MAD1" and resid 207  and name HN  ))
      2.400     0.700     0.700 peak    20 weight  0.10000E+01 volume  0.54449E-02 ppm1      2.392 ppm2      8.462 CV     1
 OR {   20}
   (( segid "MAD1" and resid 207  and name HB2 ))
   (( segid "MAD1" and resid 207  and name HN  ))
 ASSI {   22}
   (  segid "MAD1" and resid 209  and name HB% )
   (( segid "MAD1" and resid 209  and name HN  ))
      2.200     0.600     0.600 peak    22 weight  0.10000E+01 volume  0.79904E-02 ppm1      1.663 ppm2      8.458 CV     1
 ASSI {   24}
   (  segid "MAD1" and resid 208  and name HB% )
   (( segid "MAD1" and resid 209  and name HN  ))
      2.500     0.800     0.800 peak    24 weight  0.10000E+01 volume  0.41542E-02 ppm1      1.316 ppm2      8.458 CV     1
 ASSI {   25}
   (( segid "MAD1" and resid 204  and name HA  ))
   (( segid "MAD1" and resid 207  and name HN  ))
      3.200     1.300     1.300 peak    25 weight  0.10000E+01 volume  0.10297E-02 ppm1      4.324 ppm2      8.462 CV     1
 ASSI {   28}
   (( segid "MAD1" and resid 202  and name HA  ))
   (( segid "MAD1" and resid 203  and name HN  ))
      3.800     1.800     1.800 peak    28 weight  0.10000E+01 volume  0.33552E-03 ppm1      3.769 ppm2      8.415 CV     1
 ASSI {   30}
   (( segid "MAD1" and resid 203  and name HA  ))
   (( segid "MAD1" and resid 203  and name HN  ))
      2.600     0.800     0.800 peak    30 weight  0.10000E+01 volume  0.34522E-02 ppm1      3.963 ppm2      8.415 CV     1
 ASSI {   33}
   (  segid "MAD1" and resid 202  and name HG2%)
   (( segid "MAD1" and resid 203  and name HN  ))
      3.700     1.700     1.700 peak    33 weight  0.10000E+01 volume  0.43398E-03 ppm1      0.998 ppm2      8.415 CV     1
 ASSI {   34}
   (( segid "MAD1" and resid 211  and name HA  ))
   (( segid "MAD1" and resid 211  and name HN  ))
      2.500     0.800     0.800 peak    34 weight  0.10000E+01 volume  0.38222E-02 ppm1      4.256 ppm2      8.281 CV     1
 ASSI {   35}
   (( segid "MAD1" and resid 210  and name HB2 ))
   (( segid "MAD1" and resid 211  and name HN  ))
      3.100     1.200     1.200 peak    35 weight  0.10000E+01 volume  0.11725E-02 ppm1      2.785 ppm2      8.281 CV     1
 ASSI {   36}
   (( segid "MAD1" and resid 210  and name HA  ))
   (( segid "MAD1" and resid 211  and name HN  ))
      3.200     1.300     1.300 peak    36 weight  0.10000E+01 volume  0.88696E-03 ppm1      4.504 ppm2      8.281 CV     1
 ASSI {   37}
   (( segid "MAD1" and resid 208  and name HA  ))
   (( segid "MAD1" and resid 211  and name HN  ))
      2.900     1.100     1.100 peak    37 weight  0.10000E+01 volume  0.16389E-02 ppm1      4.109 ppm2      8.281 CV     1
 ASSI {   38}
   (( segid "MAD1" and resid 211  and name HB2 ))
   (( segid "MAD1" and resid 211  and name HN  ))
      2.800     1.000     1.000 peak    38 weight  0.10000E+01 volume  0.19561E-02 ppm1      3.443 ppm2      8.281 CV     1
 ASSI {   39}
   (( segid "MAD1" and resid 210  and name HB3 ))
   (( segid "MAD1" and resid 211  and name HN  ))
      3.200     1.300     1.300 peak    39 weight  0.10000E+01 volume  0.10044E-02 ppm1      2.903 ppm2      8.281 CV     1
 ASSI {   41}
   (( segid "MAD1" and resid 210  and name HA  ))
   (( segid "MAD1" and resid 212  and name HN  ))
      5.500     3.800     0.500 peak    41 weight  0.10000E+01 volume  0.36576E-04 ppm1      4.504 ppm2      8.228 CV     1
 ASSI {   42}
   (( segid "MAD1" and resid 209  and name HA  ))
   (( segid "MAD1" and resid 212  and name HN  ))
      3.200     1.300     1.300 peak    42 weight  0.10000E+01 volume  0.87993E-03 ppm1      4.151 ppm2      8.228 CV     1
 ASSI {   43}
   (( segid "MAD1" and resid 212  and name HA  ))
   (( segid "MAD1" and resid 212  and name HN  ))
      2.700     0.900     0.900 peak    43 weight  0.10000E+01 volume  0.28297E-02 ppm1      4.031 ppm2      8.228 CV     1
 ASSI {   44}
   (( segid "MAD1" and resid 211  and name HB2 ))
   (( segid "MAD1" and resid 212  and name HN  ))
      3.800     1.800     1.800 peak    44 weight  0.10000E+01 volume  0.36365E-03 ppm1      3.443 ppm2      8.228 CV     1
 ASSI {   46}
   (  segid "MAD1" and resid 212  and name HD2%)
   (( segid "MAD1" and resid 212  and name HN  ))
      2.600     0.900     0.900 peak    46 weight  0.10000E+01 volume  0.31188E-02 ppm1      0.958 ppm2      8.228 CV     1
 OR {   46}
   (  segid "MAD1" and resid 212  and name HD1%)
   (( segid "MAD1" and resid 212  and name HN  ))
 ASSI {   47}
   (( segid "MAD1" and resid 204  and name HA  ))
   (( segid "MAD1" and resid 204  and name HN  ))
      2.700     0.900     0.900 peak    47 weight  0.10000E+01 volume  0.28571E-02 ppm1      4.324 ppm2      8.213 CV     1
 ASSI {   53}
   (( segid "MAD1" and resid 210  and name HA  ))
   (( segid "MAD1" and resid 210  and name HN  ))
      2.500     0.800     0.800 peak    53 weight  0.10000E+01 volume  0.42133E-02 ppm1      4.504 ppm2      8.071 CV     1
 ASSI {   55}
   (( segid "MAD1" and resid 209  and name HA  ))
   (( segid "MAD1" and resid 210  and name HN  ))
      3.300     1.300     1.300 peak    55 weight  0.10000E+01 volume  0.82366E-03 ppm1      4.151 ppm2      8.071 CV     1
 ASSI {   57}
   (( segid "MAD1" and resid 210  and name HB3 ))
   (( segid "MAD1" and resid 210  and name HN  ))
      2.400     0.700     0.700 peak    57 weight  0.10000E+01 volume  0.49603E-02 ppm1      2.903 ppm2      8.071 CV     1
 ASSI {   58}
   (( segid "MAD1" and resid 210  and name HB2 ))
   (( segid "MAD1" and resid 210  and name HN  ))
      2.600     0.900     0.900 peak    58 weight  0.10000E+01 volume  0.31194E-02 ppm1      2.785 ppm2      8.071 CV     1
 ASSI {   59}
   (  segid "MAD1" and resid 209  and name HB% )
   (( segid "MAD1" and resid 210  and name HN  ))
      2.500     0.800     0.800 peak    59 weight  0.10000E+01 volume  0.42209E-02 ppm1      1.663 ppm2      8.071 CV     1
 ASSI {   61}
   (( segid "MAD1" and resid 207  and name HG2 ))
   (( segid "MAD1" and resid 203  and name HE22))
      3.900     1.900     1.900 peak    61 weight  0.10000E+01 volume  0.31582E-03 ppm1      2.637 ppm2      7.863 CV     1
 OR {   61}
   (( segid "MAD1" and resid 207  and name HG3 ))
   (( segid "MAD1" and resid 203  and name HE22))
 ASSI {   69}
   (  segid "MAD1" and resid 206  and name HD2%)
   (( segid "MAD1" and resid 206  and name HN  ))
      3.100     1.200     1.200 peak    69 weight  0.10000E+01 volume  0.12618E-02 ppm1      0.612 ppm2      7.775 CV     1
 ASSI {   70}
   (  segid "MAD1" and resid 206  and name HD1%)
   (( segid "MAD1" and resid 206  and name HN  ))
      3.200     1.300     1.300 peak    70 weight  0.10000E+01 volume  0.97488E-03 ppm1      0.497 ppm2      7.775 CV     1
 ASSI {   71}
   (( segid "MAD1" and resid 213  and name HA  ))
   (( segid "MAD1" and resid 213  and name HN  ))
      2.500     0.800     0.800 peak    71 weight  0.10000E+01 volume  0.43398E-02 ppm1      4.177 ppm2      7.720 CV     1
 ASSI {   72}
   (( segid "MAD1" and resid 212  and name HA  ))
   (( segid "MAD1" and resid 213  and name HN  ))
      3.100     1.200     1.200 peak    72 weight  0.10000E+01 volume  0.12007E-02 ppm1      4.031 ppm2      7.720 CV     1
 ASSI {   78}
   (( segid "MAD1" and resid 210  and name HA  ))
   (( segid "MAD1" and resid 213  and name HN  ))
      3.000     1.200     1.200 peak    78 weight  0.10000E+01 volume  0.12998E-02 ppm1      4.504 ppm2      7.720 CV     1
 ASSI {   80}
   (( segid "MAD1" and resid 201  and name HB3 ))
   (( segid "MAD1" and resid 201  and name HD21))
      3.700     1.700     1.700 peak    80 weight  0.10000E+01 volume  0.43539E-03 ppm1      3.295 ppm2      7.685 CV     1
 ASSI {   81}
   (( segid "MAD1" and resid 201  and name HB2 ))
   (( segid "MAD1" and resid 201  and name HD21))
      3.100     1.200     1.200 peak    81 weight  0.10000E+01 volume  0.12499E-02 ppm1      3.164 ppm2      7.685 CV     1
 ASSI {   83}
   (( segid "MAD1" and resid 205  and name HA  ))
   (( segid "MAD1" and resid 205  and name HN  ))
      2.700     0.900     0.900 peak    83 weight  0.10000E+01 volume  0.25793E-02 ppm1      3.945 ppm2      7.652 CV     1
 ASSI {   85}
   (( segid "MAD1" and resid 204  and name HA  ))
   (( segid "MAD1" and resid 205  and name HN  ))
      3.500     1.500     1.500 peak    85 weight  0.10000E+01 volume  0.56200E-03 ppm1      4.324 ppm2      7.652 CV     1
 ASSI {   86}
   (( segid "MAD1" and resid 202  and name HA  ))
   (( segid "MAD1" and resid 205  and name HN  ))
      3.100     1.200     1.200 peak    86 weight  0.10000E+01 volume  0.11416E-02 ppm1      3.769 ppm2      7.652 CV     1
 ASSI {   91}
   (  segid "MAD1" and resid 205  and name HD1%)
   (( segid "MAD1" and resid 205  and name HN  ))
      3.300     1.300     1.300 peak    91 weight  0.10000E+01 volume  0.87148E-03 ppm1      0.868 ppm2      7.652 CV     1
 ASSI {   97}
   (( segid "MAD1" and resid 211  and name HA  ))
   (  segid "MAD1" and resid 211  and name HD% )
      2.400     0.700     0.700 peak    97 weight  0.10000E+01 volume  0.48892E-02 ppm1      4.256 ppm2      7.155 CV     1
 ASSI {   98}
   (( segid "MAD1" and resid 211  and name HB2 ))
   (  segid "MAD1" and resid 211  and name HD% )
      2.400     0.700     0.700 peak    98 weight  0.10000E+01 volume  0.49082E-02 ppm1      3.443 ppm2      7.155 CV     1
 ASSI {   99}
   (  segid "MAD1" and resid 212  and name HD2%)
   (  segid "MAD1" and resid 211  and name HD% )
      2.400     0.700     0.700 peak    99 weight  0.10000E+01 volume  0.58746E-02 ppm1      0.958 ppm2      7.155 CV     1
 ASSI {  100}
   (( segid "MAD1" and resid 212  and name HA  ))
   (  segid "MAD1" and resid 211  and name HD% )
      2.900     1.000     1.000 peak   100 weight  0.10000E+01 volume  0.18477E-02 ppm1      4.031 ppm2      7.155 CV     1
 ASSI {  110}
   (( segid "MAD1" and resid 201  and name HB2 ))
   (( segid "MAD1" and resid 201  and name HD22))
      3.800     1.800     1.800 peak   110 weight  0.10000E+01 volume  0.34887E-03 ppm1      3.164 ppm2      6.963 CV     1
 ASSI {  113}
   (  segid "MAD1" and resid 212  and name HD2%)
   (  segid "MAD1" and resid 211  and name HE% )
      2.600     0.900     0.900 peak   113 weight  0.10000E+01 volume  0.30858E-02 ppm1      0.958 ppm2      6.887 CV     1
 ASSI {  114}
   (( segid "MAD1" and resid 211  and name HA  ))
   (  segid "MAD1" and resid 211  and name HE% )
      3.300     1.400     1.400 peak   114 weight  0.10000E+01 volume  0.73715E-03 ppm1      4.256 ppm2      6.887 CV     1
 ASSI {  115}
   (( segid "MAD1" and resid 211  and name HB2 ))
   (  segid "MAD1" and resid 211  and name HE% )
      3.500     1.500     1.500 peak   115 weight  0.10000E+01 volume  0.56904E-03 ppm1      3.443 ppm2      6.887 CV     1
 ASSI {  119}
   (( segid "MAD1" and resid 201  and name HA  ))
   (( segid "MAD1" and resid 202  and name HN  ))
      2.600     0.900     0.900 peak   119 weight  0.10000E+01 volume  0.30562E-02 ppm1      5.288 ppm2      8.523 CV     1
 ASSI {  121}
   (( segid "MAD1" and resid 203  and name HA  ))
   (( segid "MAD1" and resid 204  and name HN  ))
      3.300     1.300     1.300 peak   121 weight  0.10000E+01 volume  0.86937E-03 ppm1      3.963 ppm2      8.213 CV     1
 ASSI {  122}
   (( segid "MAD1" and resid 203  and name HE21))
   (( segid "MAD1" and resid 203  and name HE22))
      1.700     0.400     0.500 peak   122 weight  0.10000E+01 volume  0.37328E-01 ppm1      6.832 ppm2      7.863 CV     1
 ASSI {  123}
   (( segid "MAD1" and resid 201  and name HD22))
   (( segid "MAD1" and resid 201  and name HD21))
      1.900     0.500     0.500 peak   123 weight  0.10000E+01 volume  0.18872E-01 ppm1      6.963 ppm2      7.685 CV     1
 ASSI {  124}
   (( segid "MAD1" and resid 210  and name HN  ))
   (( segid "MAD1" and resid 209  and name HN  ))
      2.700     0.900     0.900 peak   124 weight  0.10000E+01 volume  0.25413E-02 ppm1      8.071 ppm2      8.458 CV     1
 ASSI {  125}
   (( segid "MAD1" and resid 206  and name HN  ))
   (( segid "MAD1" and resid 207  and name HN  ))
      2.800     1.000     1.000 peak   125 weight  0.10000E+01 volume  0.19976E-02 ppm1      7.775 ppm2      8.462 CV     1
 ASSI {  131}
   (  segid "MAD1" and resid 211  and name HE% )
   (  segid "MAD1" and resid 211  and name HD% )
      1.800     0.400     0.400 peak   131 weight  0.10000E+01 volume  0.32869E-01 ppm1      6.887 ppm2      7.155 CV     1
 ASSI {  133}
   (( segid "MAD1" and resid 210  and name HN  ))
   (( segid "MAD1" and resid 211  and name HN  ))
      2.800     1.000     1.000 peak   133 weight  0.10000E+01 volume  0.22227E-02 ppm1      8.071 ppm2      8.281 CV     1
 ASSI {  138}
   (( segid "MAD1" and resid 204  and name HN  ))
   (( segid "MAD1" and resid 203  and name HN  ))
      2.800     1.000     1.000 peak   138 weight  0.10000E+01 volume  0.19948E-02 ppm1      8.213 ppm2      8.415 CV     1
 ASSI {  144}
   (( segid "MAD1" and resid 213  and name HN  ))
   (( segid "MAD1" and resid 212  and name HN  ))
      2.800     1.000     1.000 peak   144 weight  0.10000E+01 volume  0.22494E-02 ppm1      7.720 ppm2      8.228 CV     1
 ASSI {  145}
   (( segid "MAD1" and resid 205  and name HN  ))
   (( segid "MAD1" and resid 204  and name HN  ))
      2.800     1.000     1.000 peak   145 weight  0.10000E+01 volume  0.19632E-02 ppm1      7.652 ppm2      8.213 CV     1
 ASSI {  155}
   (( segid "MAD1" and resid 205  and name HN  ))
   (( segid "MAD1" and resid 206  and name HN  ))
      2.800     1.000     1.000 peak   155 weight  0.10000E+01 volume  0.20588E-02 ppm1      7.652 ppm2      7.775 CV     1
 ASSI {  156}
   (  segid "MAD1" and resid 211  and name HD% )
   (( segid "MAD1" and resid 211  and name HN  ))
      3.200     1.300     1.300 peak   156 weight  0.10000E+01 volume  0.99529E-03 ppm1      7.155 ppm2      8.281 CV     1
 ASSI {  157}
   (  segid "MAD1" and resid 211  and name HD% )
   (( segid "MAD1" and resid 212  and name HN  ))
      3.100     1.200     1.200 peak   157 weight  0.10000E+01 volume  0.12210E-02 ppm1      7.155 ppm2      8.228 CV     1
 ASSI {  162}
   (( segid "MAD1" and resid 201  and name HA  ))
   (( segid "MAD1" and resid 203  and name HN  ))
      4.700     2.800     1.300 peak   162 weight  0.10000E+01 volume  0.90032E-04 ppm1      5.288 ppm2      8.415 CV     1
 ASSI {  168}
   (( segid "MAD1" and resid 201  and name HA  ))
   (( segid "MAD1" and resid 201  and name HD21))
      5.300     3.500     0.700 peak   168 weight  0.10000E+01 volume  0.47126E-04 ppm1      5.288 ppm2      7.685 CV     1
 ASSI {  215}
   (  segid "MAD1" and resid 205  and name HD2%)
   (( segid "MAD1" and resid 205  and name HN  ))
      3.100     1.200     1.200 peak   215 weight  0.10000E+01 volume  0.11648E-02 ppm1      0.211 ppm2      7.652 CV     1
 ASSI {  410}
   (( segid "MAD1" and resid 203  and name HN  ))
   (( segid "MAD1" and resid 202  and name HN  ))
      3.100     1.200     1.200 peak   410 weight  0.10000E+01 volume  0.12035E-02 ppm1      8.415 ppm2      8.523 CV     1
 ASSI {  411}
   (( segid "MAD1" and resid 213  and name HN  ))
   (( segid "MAD1" and resid 211  and name HN  ))
      4.700     2.800     1.300 peak   411 weight  0.10000E+01 volume  0.94253E-04 ppm1      7.720 ppm2      8.281 CV     1
 ASSI {  412}
   (( segid "MAD1" and resid 206  and name HN  ))
   (( segid "MAD1" and resid 208  and name HN  ))
      4.600     2.700     1.400 peak   412 weight  0.10000E+01 volume  0.10410E-03 ppm1      7.775 ppm2      8.839 CV     1
 ASSI {  413}
   (( segid "MAD1" and resid 210  and name HN  ))
   (( segid "MAD1" and resid 208  and name HN  ))
      5.400     3.600     0.600 peak   413 weight  0.10000E+01 volume  0.42203E-04 ppm1      8.071 ppm2      8.839 CV     1
 ASSI {  415}
   (( segid "MAD1" and resid 205  and name HN  ))
   (( segid "MAD1" and resid 207  and name HN  ))
      5.000     3.100     1.000 peak   415 weight  0.10000E+01 volume  0.66821E-04 ppm1      7.652 ppm2      8.462 CV     1
 ASSI {  418}
   (( segid "MAD1" and resid 212  and name HA  ))
   (( segid "MAD1" and resid 211  and name HN  ))
      4.600     2.700     1.400 peak   418 weight  0.10000E+01 volume  0.10480E-03 ppm1      4.031 ppm2      8.281 CV     1
 ASSI {  419}
   (( segid "MAD1" and resid 211  and name HA  ))
   (( segid "MAD1" and resid 212  and name HN  ))
      3.200     1.300     1.300 peak   419 weight  0.10000E+01 volume  0.10093E-02 ppm1      4.256 ppm2      8.228 CV     1
 ASSI {  420}
   (( segid "MAD1" and resid 202  and name HA  ))
   (( segid "MAD1" and resid 204  and name HN  ))
      4.700     2.800     1.300 peak   420 weight  0.10000E+01 volume  0.93550E-04 ppm1      3.769 ppm2      8.213 CV     1
 ASSI {  421}
   (  segid "MAD1" and resid 209  and name HB% )
   (( segid "MAD1" and resid 208  and name HN  ))
      4.000     2.000     2.000 peak   421 weight  0.10000E+01 volume  0.25252E-03 ppm1      1.663 ppm2      8.839 CV     1
 ASSI {  423}
   (( segid "MAD1" and resid 207  and name HG3 ))
   (( segid "MAD1" and resid 208  and name HN  ))
      4.000     2.000     2.000 peak   423 weight  0.10000E+01 volume  0.25673E-03 ppm1      2.637 ppm2      8.839 CV     1
 OR {  423}
   (( segid "MAD1" and resid 207  and name HG2 ))
   (( segid "MAD1" and resid 208  and name HN  ))
 ASSI {  425}
   (  segid "MAD1" and resid 212  and name HD1%)
   (( segid "MAD1" and resid 213  and name HN  ))
      3.400     1.500     1.500 peak   425 weight  0.10000E+01 volume  0.61334E-03 ppm1      0.958 ppm2      7.720 CV     1
 OR {  425}
   (  segid "MAD1" and resid 212  and name HD2%)
   (( segid "MAD1" and resid 213  and name HN  ))
 ASSI {  426}
   (  segid "MAD1" and resid 206  and name HD2%)
   (( segid "MAD1" and resid 207  and name HN  ))
      3.700     1.700     1.700 peak   426 weight  0.10000E+01 volume  0.40022E-03 ppm1      0.612 ppm2      8.462 CV     1
 ASSI {  427}
   (  segid "MAD1" and resid 206  and name HD1%)
   (( segid "MAD1" and resid 207  and name HN  ))
      3.800     1.800     1.800 peak   427 weight  0.10000E+01 volume  0.34184E-03 ppm1      0.497 ppm2      8.462 CV     1
 ASSI {  428}
   (( segid "MAD1" and resid 201  and name HB3 ))
   (( segid "MAD1" and resid 203  and name HN  ))
      4.300     2.300     1.700 peak   428 weight  0.10000E+01 volume  0.17162E-03 ppm1      3.295 ppm2      8.415 CV     1
 ASSI {  429}
   (( segid "MAD1" and resid 201  and name HB2 ))
   (( segid "MAD1" and resid 203  and name HN  ))
      5.400     3.600     0.600 peak   429 weight  0.10000E+01 volume  0.42906E-04 ppm1      3.164 ppm2      8.415 CV     1
 ASSI {  430}
   (( segid "MAD1" and resid 208  and name HA  ))
   (  segid "MAD1" and resid 211  and name HD% )
      3.000     1.100     1.100 peak   430 weight  0.10000E+01 volume  0.14089E-02 ppm1      4.109 ppm2      7.155 CV     1
 ASSI {  431}
   (( segid "MAD1" and resid 212  and name HA  ))
   (  segid "MAD1" and resid 211  and name HE% )
      3.600     1.600     1.600 peak   431 weight  0.10000E+01 volume  0.48604E-03 ppm1      4.031 ppm2      6.887 CV     1
 ASSI {  433}
   (( segid "MAD1" and resid 201  and name HB3 ))
   (( segid "MAD1" and resid 201  and name HD22))
      4.400     2.500     1.600 peak   433 weight  0.10000E+01 volume  0.13576E-03 ppm1      3.295 ppm2      6.963 CV     1
 ASSI {  435}
   (( segid "MAD1" and resid 208  and name HA  ))
   (  segid "MAD1" and resid 211  and name HE% )
      4.700     2.700     1.300 peak   435 weight  0.10000E+01 volume  0.97770E-04 ppm1      4.109 ppm2      6.887 CV     1
 ASSI {  439}
   (  segid "MAD1" and resid 208  and name HB% )
   (  segid "MAD1" and resid 211  and name HD% )
      4.300     2.300     1.700 peak   439 weight  0.10000E+01 volume  0.17233E-03 ppm1      1.316 ppm2      7.155 CV     1
 ASSI {  443}
   (  segid "MAD1" and resid 208  and name HB% )
   (( segid "MAD1" and resid 210  and name HN  ))
      3.800     1.800     1.800 peak   443 weight  0.10000E+01 volume  0.33059E-03 ppm1      1.316 ppm2      8.071 CV     1
 ASSI {  444}
   (  segid "MAD1" and resid 208  and name HB% )
   (( segid "MAD1" and resid 212  and name HN  ))
      3.800     1.800     1.800 peak   444 weight  0.10000E+01 volume  0.32004E-03 ppm1      1.316 ppm2      8.228 CV     1
 ASSI {  448}
   (  segid "MAD1" and resid 202  and name HD1%)
   (( segid "MAD1" and resid 202  and name HB  ))
      2.600     0.800     0.800 peak   448 weight  0.10000E+01 volume  0.34929E-02 ppm1      0.591 ppm2      2.095 CV     1
 ASSI {  453}
   (  segid "MAD1" and resid 206  and name HD1%)
   (  segid "MAD1" and resid 209  and name HB% )
      3.000     1.100     1.100 peak   453 weight  0.10000E+01 volume  0.13737E-02 ppm1      0.497 ppm2      1.663 CV     1
 ASSI {  455}
   (  segid "MAD1" and resid 202  and name HD1%)
   (( segid "MAD1" and resid 202  and name HG13))
      2.300     0.700     0.700 peak   455 weight  0.10000E+01 volume  0.71674E-02 ppm1      0.591 ppm2      1.639 CV     1
 ASSI {  464}
   (  segid "MAD1" and resid 202  and name HD1%)
   (( segid "MAD1" and resid 202  and name HG12))
      2.300     0.700     0.700 peak   464 weight  0.10000E+01 volume  0.67757E-02 ppm1      0.591 ppm2      1.347 CV     1
 ASSI {  470}
   (  segid "MAD1" and resid 206  and name HD1%)
   (  segid "MAD1" and resid 202  and name HG2%)
      3.200     1.300     1.300 peak   470 weight  0.10000E+01 volume  0.91088E-03 ppm1      0.497 ppm2      0.998 CV     1
 ASSI {  475}
   (  segid "MAD1" and resid 202  and name HD1%)
   (  segid "MAD1" and resid 205  and name HD1%)
      2.900     1.000     1.000 peak   475 weight  0.10000E+01 volume  0.18724E-02 ppm1      0.591 ppm2      0.868 CV     1
 ASSI {  547}
   (( segid "MAD1" and resid 203  and name HA  ))
   (( segid "MAD1" and resid 203  and name HE22))
      4.100     2.100     1.900 peak   547 weight  0.10000E+01 volume  0.23352E-03 ppm1      3.963 ppm2      7.863 CV     1
 ASSI {  652}
   (( segid "MAD1" and resid 208  and name HA  ))
   (( segid "MAD1" and resid 209  and name HN  ))
      3.600     1.600     1.600 peak   652 weight  0.10000E+01 volume  0.46704E-03 ppm1      4.109 ppm2      8.458 CV     1
 ASSI {  653}
   (( segid "MAD1" and resid 211  and name HB3 ))
   (( segid "MAD1" and resid 211  and name HN  ))
      2.700     0.900     0.900 peak   653 weight  0.10000E+01 volume  0.27839E-02 ppm1      3.492 ppm2      8.281 CV     1
 ASSI {  654}
   (( segid "MAD1" and resid 211  and name HB3 ))
   (( segid "MAD1" and resid 212  and name HN  ))
      3.100     1.200     1.200 peak   654 weight  0.10000E+01 volume  0.11001E-02 ppm1      3.492 ppm2      8.228 CV     1
 ASSI {  655}
   (( segid "MAD1" and resid 211  and name HB3 ))
   (  segid "MAD1" and resid 211  and name HD% )
      2.500     0.800     0.800 peak   655 weight  0.10000E+01 volume  0.39375E-02 ppm1      3.492 ppm2      7.155 CV     1
 ASSI {  656}
   (( segid "MAD1" and resid 211  and name HB3 ))
   (  segid "MAD1" and resid 211  and name HE% )
      4.800     2.900     1.200 peak   656 weight  0.10000E+01 volume  0.82999E-04 ppm1      3.492 ppm2      6.887 CV     1
 ASSI {  658}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 210  and name HN  ))
      3.000     1.200     1.200 peak   658 weight  0.10000E+01 volume  0.12893E-02 ppm1      4.240 ppm2      8.071 CV     1
 ASSI { 1325}
   (( segid "MAD1" and resid 212  and name HN  ))
   (( segid "MAD1" and resid 211  and name HN  ))
      2.800     1.000     1.000 peak  1325 weight  0.10000E+01 volume  0.22170E-02 ppm1      8.228 ppm2      8.281 CV     1
 ASSI { 1326}
   (( segid "MAD1" and resid 208  and name HA  ))
   (( segid "MAD1" and resid 212  and name HN  ))
      3.500     1.600     1.600 peak  1326 weight  0.10000E+01 volume  0.52894E-03 ppm1      4.109 ppm2      8.228 CV     1
 ASSI { 1327}
   (( segid "MAD1" and resid 208  and name HA  ))
   (( segid "MAD1" and resid 210  and name HN  ))
      4.500     2.500     1.500 peak  1327 weight  0.10000E+01 volume  0.12168E-03 ppm1      4.109 ppm2      8.071 CV     1
 ASSI { 1329}
   (( segid "MAD1" and resid 203  and name HB3 ))
   (( segid "MAD1" and resid 204  and name HN  ))
      2.800     1.000     1.000 peak  1329 weight  0.10000E+01 volume  0.21502E-02 ppm1      2.094 ppm2      8.213 CV     1
 ASSI { 1330}
   (  segid "MAD1" and resid 202  and name HG2%)
   (( segid "MAD1" and resid 205  and name HN  ))
      5.100     3.300     0.900 peak  1330 weight  0.10000E+01 volume  0.56974E-04 ppm1      0.998 ppm2      7.652 CV     1
 ASSI { 1333}
   (( segid "MAD1" and resid 207  and name HB2 ))
   (( segid "MAD1" and resid 203  and name HE22))
      3.000     1.100     1.100 peak  1333 weight  0.10000E+01 volume  0.14427E-02 ppm1      2.392 ppm2      7.863 CV     1
 OR { 1333}
   (( segid "MAD1" and resid 207  and name HB3 ))
   (( segid "MAD1" and resid 203  and name HE22))
 ASSI { 1339}
   (( segid "MAD1" and resid 202  and name HG12))
   (( segid "MAD1" and resid 202  and name HB  ))
      2.800     1.000     1.000 peak  1339 weight  0.10000E+01 volume  0.19892E-02 ppm1      1.347 ppm2      2.095 CV     1
 ASSI { 1346}
   (  segid "MAD1" and resid 205  and name HD2%)
   (  segid "MAD1" and resid 208  and name HB% )
      3.600     1.600     1.600 peak  1346 weight  0.10000E+01 volume  0.45157E-03 ppm1      0.211 ppm2      1.316 CV     1
 ASSI { 1348}
   (  segid "MAD1" and resid 205  and name HD2%)
   (  segid "MAD1" and resid 205  and name HD1%)
      2.200     0.600     0.600 peak  1348 weight  0.10000E+01 volume  0.97559E-02 ppm1      0.211 ppm2      0.868 CV     1
 ASSI { 1349}
   (( segid "MAD1" and resid 202  and name HG13))
   (( segid "MAD1" and resid 202  and name HB  ))
      2.800     1.000     1.000 peak  1349 weight  0.10000E+01 volume  0.20989E-02 ppm1      1.639 ppm2      2.095 CV     1
 ASSI { 1350}
   (  segid "MAD1" and resid 202  and name HG2%)
   (( segid "MAD1" and resid 202  and name HB  ))
      2.200     0.600     0.600 peak  1350 weight  0.10000E+01 volume  0.98121E-02 ppm1      0.998 ppm2      2.095 CV     1
 ASSI { 3536}
   (( segid "MAD1" and resid 208  and name HA  ))
   (  segid "MAD1" and resid 208  and name HB% )
      2.300     0.600     0.600 peak  3536 weight  0.10000E+01 volume  0.77442E-02 ppm1      4.109 ppm2      1.316 CV     1
 ASSI { 3543}
   (( segid "MAD1" and resid 212  and name HA  ))
   (  segid "MAD1" and resid 212  and name HD2%)
      2.100     0.600     0.600 peak  3543 weight  0.10000E+01 volume  0.11718E-01 ppm1      4.031 ppm2      0.958 CV     1
 ASSI { 3551}
   (( segid "MAD1" and resid 206  and name HA  ))
   (  segid "MAD1" and resid 206  and name HD1%)
      2.200     0.600     0.600 peak  3551 weight  0.10000E+01 volume  0.82225E-02 ppm1      3.970 ppm2      0.497 CV     1
 ASSI { 3253}
   (( segid "MAD1" and resid 210  and name HA  ))
   (( segid "MAD1" and resid 210  and name HB3 ))
      2.500     0.800     0.800 peak  3253 weight  0.10000E+01 volume  0.37666E-02 ppm1      4.504 ppm2      2.903 CV     1
 ASSI { 3256}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 210  and name HB2 ))
      2.800     1.000     1.000 peak  3256 weight  0.10000E+01 volume  0.21327E-02 ppm1      4.240 ppm2      2.785 CV     1
 ASSI { 3257}
   (( segid "MAD1" and resid 210  and name HA  ))
   (( segid "MAD1" and resid 210  and name HB2 ))
      2.400     0.700     0.700 peak  3257 weight  0.10000E+01 volume  0.51214E-02 ppm1      4.504 ppm2      2.785 CV     1
 ASSI { 3258}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 207  and name HG3 ))
      2.700     0.900     0.900 peak  3258 weight  0.10000E+01 volume  0.29507E-02 ppm1      4.240 ppm2      2.637 CV     1
 OR { 3258}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 207  and name HG2 ))
 ASSI { 3274}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 207  and name HB2 ))
      2.200     0.600     0.600 peak  3274 weight  0.10000E+01 volume  0.90947E-02 ppm1      4.240 ppm2      2.392 CV     1
 OR { 3274}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 207  and name HB3 ))
 ASSI { 3286}
   (( segid "MAD1" and resid 203  and name HA  ))
   (( segid "MAD1" and resid 203  and name HB2 ))
      2.600     0.900     0.900 peak  3286 weight  0.10000E+01 volume  0.32539E-02 ppm1      3.963 ppm2      2.088 CV     1
 OR { 3286}
   (( segid "MAD1" and resid 203  and name HA  ))
   (( segid "MAD1" and resid 203  and name HB3 ))
 ASSI { 3287}
   (( segid "MAD1" and resid 202  and name HA  ))
   (( segid "MAD1" and resid 202  and name HB  ))
      2.700     0.900     0.900 peak  3287 weight  0.10000E+01 volume  0.26714E-02 ppm1      3.769 ppm2      2.095 CV     1
 ASSI { 3300}
   (( segid "MAD1" and resid 210  and name HA  ))
   (  segid "MAD1" and resid 209  and name HB% )
      3.400     1.400     1.400 peak  3300 weight  0.10000E+01 volume  0.67102E-03 ppm1      4.504 ppm2      1.663 CV     1
 ASSI { 3302}
   (( segid "MAD1" and resid 206  and name HA  ))
   (  segid "MAD1" and resid 209  and name HB% )
      2.500     0.800     0.800 peak  3302 weight  0.10000E+01 volume  0.44249E-02 ppm1      3.970 ppm2      1.663 CV     1
 ASSI { 3305}
   (( segid "MAD1" and resid 202  and name HA  ))
   (( segid "MAD1" and resid 202  and name HG13))
      3.000     1.100     1.100 peak  3305 weight  0.10000E+01 volume  0.15354E-02 ppm1      3.769 ppm2      1.639 CV     1
 ASSI { 3313}
   (( segid "MAD1" and resid 202  and name HA  ))
   (( segid "MAD1" and resid 202  and name HG12))
      3.000     1.100     1.100 peak  3313 weight  0.10000E+01 volume  0.15291E-02 ppm1      3.769 ppm2      1.347 CV     1
 ASSI { 3327}
   (( segid "MAD1" and resid 203  and name HA  ))
   (  segid "MAD1" and resid 202  and name HG2%)
      3.300     1.300     1.300 peak  3327 weight  0.10000E+01 volume  0.83069E-03 ppm1      3.963 ppm2      0.998 CV     1
 ASSI { 3328}
   (( segid "MAD1" and resid 202  and name HA  ))
   (  segid "MAD1" and resid 202  and name HG2%)
      2.600     0.800     0.800 peak  3328 weight  0.10000E+01 volume  0.33003E-02 ppm1      3.769 ppm2      0.998 CV     1
 ASSI { 3333}
   (( segid "MAD1" and resid 209  and name HA  ))
   (  segid "MAD1" and resid 212  and name HD1%)
      2.600     0.800     0.800 peak  3333 weight  0.10000E+01 volume  0.35225E-02 ppm1      4.151 ppm2      0.958 CV     1
 ASSI { 3335}
   (( segid "MAD1" and resid 205  and name HA  ))
   (  segid "MAD1" and resid 205  and name HD1%)
      3.200     1.200     1.200 peak  3335 weight  0.10000E+01 volume  0.10389E-02 ppm1      3.945 ppm2      0.868 CV     1
 ASSI { 3336}
   (( segid "MAD1" and resid 202  and name HA  ))
   (  segid "MAD1" and resid 205  and name HD1%)
      2.700     0.900     0.900 peak  3336 weight  0.10000E+01 volume  0.26208E-02 ppm1      3.769 ppm2      0.868 CV     1
 ASSI { 3341}
   (( segid "MAD1" and resid 206  and name HA  ))
   (  segid "MAD1" and resid 206  and name HD2%)
      2.500     2.500     3.500 peak  3341 weight  0.10000E+01 volume  0.45389E-02 ppm1      3.970 ppm2      0.612 CV     1
 ASSI { 3348}
   (( segid "MAD1" and resid 205  and name HA  ))
   (  segid "MAD1" and resid 205  and name HD2%)
      2.400     0.700     0.700 peak  3348 weight  0.10000E+01 volume  0.60259E-02 ppm1      3.945 ppm2      0.211 CV     1
 ASSI { 3349}
   (( segid "MAD1" and resid 202  and name HA  ))
   (  segid "MAD1" and resid 205  and name HD2%)
      3.500     1.500     1.500 peak  3349 weight  0.10000E+01 volume  0.55215E-03 ppm1      3.769 ppm2      0.211 CV     1
 ASSI { 3350}
   (( segid "MAD1" and resid 201  and name HA  ))
   (( segid "MAD1" and resid 201  and name HB3 ))
      2.700     0.900     0.900 peak  3350 weight  0.10000E+01 volume  0.27355E-02 ppm1      5.288 ppm2      3.295 CV     1
 ASSI { 3351}
   (( segid "MAD1" and resid 201  and name HA  ))
   (( segid "MAD1" and resid 201  and name HB2 ))
      2.600     0.900     0.900 peak  3351 weight  0.10000E+01 volume  0.32384E-02 ppm1      5.288 ppm2      3.164 CV     1
 ASSI { 4023}
   (( segid "MAD1" and resid 208  and name HA  ))
   (( segid "MAD1" and resid 211  and name HB2 ))
      3.300     1.300     1.300 peak  4023 weight  0.10000E+01 volume  0.87430E-03 ppm1      4.109 ppm2      3.443 CV     1
 ASSI { 4024}
   (( segid "MAD1" and resid 208  and name HA  ))
   (( segid "MAD1" and resid 211  and name HB3 ))
      5.400     3.700     0.600 peak  4024 weight  0.10000E+01 volume  0.40093E-04 ppm1      4.109 ppm2      3.492 CV     1
 ASSI { 4026}
   (( segid "MAD1" and resid 207  and name HA  ))
   (( segid "MAD1" and resid 210  and name HB3 ))
      2.700     0.900     0.900 peak  4026 weight  0.10000E+01 volume  0.28213E-02 ppm1      4.240 ppm2      2.903 CV     1
 ASSI { 4100}
   (( segid "MAD1" and resid 205  and name HA  ))
   (( segid "MAD1" and resid 208  and name HN  ))
      3.300     1.400     1.400 peak  4100 weight  0.10000E+01 volume  0.76669E-03 ppm1      3.945 ppm2      8.839 CV     1
 ASSI { 4105}
   (( segid "MAD1" and resid 204  and name HA  ))
   (( segid "MAD1" and resid 207  and name HB3 ))
      2.300     0.700     0.700 peak  4105 weight  0.10000E+01 volume  0.62966E-02 ppm1      4.324 ppm2      2.393 CV     1
 ASSI { 4107}
   (( segid "MAD1" and resid 207  and name HB3 ))
   (( segid "MAD1" and resid 204  and name HN  ))
      4.200     2.300     1.800 peak  4107 weight  0.10000E+01 volume  0.17655E-03 ppm1      2.393 ppm2      8.214 CV     1
 OR { 4107}
   (( segid "MAD1" and resid 207  and name HB2 ))
   (( segid "MAD1" and resid 204  and name HN  ))
 ASSI { 4114}
   (( segid "MAD1" and resid 205  and name HA  ))
   (  segid "MAD1" and resid 208  and name HB% )
      2.700     0.900     0.900 peak  4114 weight  0.10000E+01 volume  0.29310E-02 ppm1      3.945 ppm2      1.316 CV     1
 ASSI { 4117}
   (( segid "MAD1" and resid 211  and name HA  ))
   (( segid "MAD1" and resid 211  and name HB3 ))
      3.000     1.100     1.100 peak  4117 weight  0.10000E+01 volume  0.13308E-02 ppm1      4.256 ppm2      3.492 CV     1
 ASSI { 4118}
   (( segid "MAD1" and resid 211  and name HA  ))
   (( segid "MAD1" and resid 211  and name HB2 ))
      2.800     1.000     1.000 peak  4118 weight  0.10000E+01 volume  0.22107E-02 ppm1      4.256 ppm2      3.443 CV     1
 ASSI { 4119}
   (( segid "MAD1" and resid 209  and name HA  ))
   (  segid "MAD1" and resid 209  and name HB% )
      2.200     0.600     0.600 peak  4119 weight  0.10000E+01 volume  0.99810E-02 ppm1      4.151 ppm2      1.663 CV     1
 ASSI { 4124}
   (  segid "MAD1" and resid 206  and name HD1%)
   (  segid "MAD1" and resid 206  and name HD2%)
      2.200     0.600     0.600 peak  4124 weight  0.10000E+01 volume  0.91510E-02 ppm1      0.497 ppm2      0.610 CV     1
 ASSI { 4125}
   (  segid "MAD1" and resid 202  and name HG2%)
   (  segid "MAD1" and resid 202  and name HD1%)
      2.300     0.700     0.700 peak  4125 weight  0.10000E+01 volume  0.70050E-02 ppm1      0.998 ppm2      0.591 CV     1
 ASSI { 4126}
   (  segid "MAD1" and resid 202  and name HG2%)
   (  segid "MAD1" and resid 206  and name HD2%)
      2.400     0.700     0.700 peak  4126 weight  0.10000E+01 volume  0.58619E-02 ppm1      0.998 ppm2      0.612 CV     1
 ASSI { 4130}
   (  segid "MAD1" and resid 212  and name HD1%)
   (  segid "MAD1" and resid 208  and name HB% )
      3.200     1.300     1.300 peak  4130 weight  0.10000E+01 volume  0.92916E-03 ppm1      0.958 ppm2      1.318 CV     1
 ASSI { 4131}
   (  segid "MAD1" and resid 202  and name HG2%)
   (( segid "MAD1" and resid 202  and name HG12))
      2.800     1.000     1.000 peak  4131 weight  0.10000E+01 volume  0.19378E-02 ppm1      0.998 ppm2      1.356 CV     1
 ASSI { 4132}
   (  segid "MAD1" and resid 205  and name HD1%)
   (( segid "MAD1" and resid 202  and name HG12))
      3.800     1.800     1.800 peak  4132 weight  0.10000E+01 volume  0.31933E-03 ppm1      0.868 ppm2      1.356 CV     1
 ASSI { 4133}
   (  segid "MAD1" and resid 205  and name HD1%)
   (  segid "MAD1" and resid 208  and name HB% )
      4.700     2.700     1.300 peak  4133 weight  0.10000E+01 volume  0.99880E-04 ppm1      0.868 ppm2      1.318 CV     1
 ASSI { 4134}
   (( segid "MAD1" and resid 202  and name HG12))
   (( segid "MAD1" and resid 202  and name HG13))
      2.200     0.600     0.600 peak  4134 weight  0.10000E+01 volume  0.91229E-02 ppm1      1.347 ppm2      1.640 CV     1
 ASSI { 4135}
   (  segid "MAD1" and resid 209  and name HB% )
   (  segid "MAD1" and resid 208  and name HB% )
      3.000     1.100     1.100 peak  4135 weight  0.10000E+01 volume  0.13751E-02 ppm1      1.661 ppm2      1.316 CV     1
 ASSI { 4139}
   (  segid "MAD1" and resid 205  and name HD1%)
   (  segid "MAD1" and resid 202  and name HG2%)
      3.100     1.200     1.200 peak  4139 weight  0.10000E+01 volume  0.12816E-02 ppm1      0.868 ppm2      0.994 CV     1
 ASSI { 4140}
   (( segid "MAD1" and resid 210  and name HB2 ))
   (( segid "MAD1" and resid 210  and name HB3 ))
      1.900     0.500     0.500 peak  4140 weight  0.10000E+01 volume  0.19807E-01 ppm1      2.782 ppm2      2.903 CV     1
 ASSI { 4152}
   (( segid "MAD1" and resid 207  and name HG2 ))
   (( segid "MAD1" and resid 207  and name HB3 ))
      1.900     0.500     0.500 peak  4152 weight  0.10000E+01 volume  0.21678E-01 ppm1      2.637 ppm2      2.392 CV     1
 OR { 4152}
   (( segid "MAD1" and resid 207  and name HG3 ))
   (( segid "MAD1" and resid 207  and name HB3 ))
 OR { 4152}
   (( segid "MAD1" and resid 207  and name HG3 ))
   (( segid "MAD1" and resid 207  and name HB2 ))
 ASSI { 4160}
   (( segid "MAD1" and resid 207  and name HB2 ))
   (( segid "MAD1" and resid 203  and name HN  ))
      3.300     3.300     2.700 peak  4160 weight  0.10000E+01 volume  0.73363E-03 ppm1      2.413 ppm2      8.415 CV     1
 OR { 4160}
   (( segid "MAD1" and resid 207  and name HB3 ))
   (( segid "MAD1" and resid 203  and name HN  ))
 ASSI { 4163}
   (( segid "MAD1" and resid 202  and name HA  ))
   (  segid "MAD1" and resid 202  and name HD1%)
      2.700     0.900     0.900 peak  4163 weight  0.10000E+01 volume  0.26173E-02 ppm1      3.769 ppm2      0.591 CV     1
 ASSI { 4164}
   (  segid "MAD1" and resid 209  and name HB% )
   (( segid "MAD1" and resid 211  and name HN  ))
      4.300     2.300     1.700 peak  4164 weight  0.10000E+01 volume  0.16600E-03 ppm1      1.664 ppm2      8.281 CV     1
 ASSI { 4165}
   (  segid "MAD1" and resid 208  and name HB% )
   (( segid "MAD1" and resid 211  and name HN  ))
      4.800     2.800     1.200 peak  4165 weight  0.10000E+01 volume  0.88626E-04 ppm1      1.317 ppm2      8.281 CV     1
assi ( resid   6 and name   HN ) ( resid   7 and name   HN )  3.5 3.5 0 
assi ( resid   8 and name   HN ) ( resid   9 and name   HN )  2.8 2.8 0 
assi ( resid  10 and name   HN ) ( resid  11 and name   HN )  3.5 3.5 0 
assi ( resid  12 and name   HN ) ( resid  13 and name   HN )  3.5 3.5 0 
assi ( resid  14 and name   HN ) ( resid  15 and name   HN )  3.5 3.5 0 
assi ( resid  19 and name   HN ) ( resid  20 and name   HN )  3.5 3.5 0 
assi ( resid  21 and name   HN ) ( resid  22 and name   HN )  3.5 3.5 0 
assi ( resid  29 and name   HN ) ( resid  30 and name   HN )  3.5 3.5 0 
assi ( resid  33 and name   HN ) ( resid  34 and name   HN )  3.5 3.5 0 
assi ( resid  38 and name   HN ) ( resid  39 and name   HN )  3.5 3.5 0 
assi ( resid  59 and name   HN ) ( resid  60 and name   HN )  2.8 2.8 0 
assi ( resid  60 and name   HN ) ( resid  61 and name   HN )  3.5 3.5 0 
assi ( resid  64 and name   HN ) ( resid  65 and name   HN )  2.8 2.8 0 
assi ( resid  72 and name   HN ) ( resid  73 and name   HN )  2.8 2.8 0 
assi ( resid  76 and name   HN ) ( resid  77 and name   HN )  2.8 2.8 0 
assi ( resid   7 and (name HD* or name HE* or name HZ) ) ( resid 204 and (name HB* or name HG*) )  3.5 3.5 0 
assi ( resid  10 and name  HB* ) ( resid 204 and (name HB* or name HG*) )  3.5 3.5 0 
assi ( resid  35 and name HD1* ) ( resid 205 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid  35 and name HD2* ) ( resid 205 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 201 and name   HA ) ( resid 204 and (name HB* or name HG*) )  3.5 3.5 0 
assi ( resid 202 and name   HA ) ( resid 205 and (name HB* or name HG*) )  3.5 3.5 0 
assi ( resid 202 and name HG2* ) ( resid 205 and (name HB* or name HG*) )  5.0 5.0 0 
assi ( resid 203 and name   HA ) ( resid 203 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 203 and (name HB* or name HG*) ) ( resid 203 and name   HN )  2.8 2.8 0 
assi ( resid 203 and name   HA ) ( resid 204 and (name HB* or name HG*) )  5.0 5.0 0 
assi ( resid 203 and name   HN ) ( resid 204 and (name HB* or name HG*) )  5.0 5.0 0 
assi ( resid 203 and name  HE* ) ( resid 204 and (name HB* or name HG*) )  3.5 3.5 0 
assi ( resid 204 and name   HA ) ( resid 204 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 204 and (name HB* or name HG*) ) ( resid 204 and name   HN )  2.8 2.8 0 
assi ( resid 205 and name   HA ) ( resid 205 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 205 and (name HB* or name HG*) ) ( resid 205 and name   HN )  2.8 2.8 0 
assi ( resid 205 and (name HB* or name HG*) ) ( resid 205 and name  HD* )  2.8 2.8 0 
assi ( resid 205 and (name HB* or name HG*) ) ( resid 206 and name   HN )  5.0 5.0 0 
assi ( resid 206 and name  HD* ) ( resid 206 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 206 and (name HB* or name HG*) ) ( resid 206 and name   HN )  3.5 3.5 0 
assi ( resid 206 and (name HB* or name HG*) ) ( resid 207 and name   HN )  3.5 3.5 0 
assi ( resid 209 and name   HA ) ( resid 212 and (name HB* or name HG*) )  3.5 3.5 0 
assi ( resid 210 and name   HA ) ( resid 213 and (name HB* or name HG*) )  3.5 3.5 0 
assi ( resid 211 and name  HD* ) ( resid 212 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 211 and name  HE* ) ( resid 212 and (name HB* or name HG*) )  5.0 5.0 0 
assi ( resid 212 and name   HA ) ( resid 212 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 212 and name  HD* ) ( resid 212 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 212 and (name HB* or name HG*) ) ( resid 212 and name   HN )  2.8 2.8 0 
assi ( resid 212 and (name HB* or name HG*) ) ( resid 213 and name   HN )  3.5 3.5 0 
assi ( resid 213 and name   HA ) ( resid 213 and (name HB* or name HG*) )  2.8 2.8 0 
assi ( resid 213 and (name HB* or name HG*) ) ( resid 213 and name   HN )  2.8 2.8 0 
 ASSI {  271}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   271 weight  0.10000E+01 volume  0.29468E-02 ppm1      8.360 ppm2      3.080 CV     1
 OR {  271}
   (( segid "PAH2" and resid 18   and name HN  ))
   (( segid "PAH2" and resid 17   and name HA  ))
 ASSI {  301}
   (( segid "PAH2" and resid 46   and name HN  ))
   (( segid "PAH2" and resid 45   and name HB  ))
      2.300     0.700     0.700 peak   301 weight  0.10000E+01 volume  0.63093E-02 ppm1      8.382 ppm2      4.215 CV     1
 OR {  301}
   (( segid "PAH2" and resid 46   and name HN  ))
   (( segid "PAH2" and resid 46   and name HA  ))
 ASSI {  313}
   (( segid "PAH2" and resid 57   and name HN  ))
   (( segid "PAH2" and resid 57   and name HA  ))
      2.400     0.700     0.700 peak   313 weight  0.10000E+01 volume  0.49551E-02 ppm1      7.912 ppm2      4.058 CV     1
 OR {  313}
   (( segid "PAH2" and resid 57   and name HN  ))
   (( segid "PAH2" and resid 56   and name HA  ))
 ASSI {  332}
   (( segid "PAH2" and resid 73   and name HN  ))
   (( segid "PAH2" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   332 weight  0.10000E+01 volume  0.40694E-02 ppm1      7.887 ppm2      4.346 CV     1
 OR {  332}
   (( segid "PAH2" and resid 73   and name HN  ))
   (( segid "PAH2" and resid 72   and name HA  ))
 ASSI {  334}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 74   and name HB3 ))
      2.200     0.600     0.600 peak   334 weight  0.10000E+01 volume  0.90490E-02 ppm1      7.908 ppm2      4.039 CV     1
 OR {  334}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 75   and name HA  ))
 ASSI {  348}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   348 weight  0.10000E+01 volume  0.48576E-02 ppm1      7.271 ppm2      3.826 CV     1
 OR {  348}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 77   and name HA2 ))
 ASSI {  493}
   (( segid "PAH2" and resid 6    and name HN  ))
   (( segid "PAH2" and resid 6    and name HB2 ))
      2.000     0.500     0.500 peak   493 weight  0.10000E+01 volume  0.14742E-01 ppm1      8.591 ppm2      2.049 CV     1
 OR {  493}
   (( segid "PAH2" and resid 6    and name HN  ))
   (( segid "PAH2" and resid 5    and name HB  ))
 ASSI {  505}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 6    and name HB2 ))
      3.700     1.700     1.700 peak   505 weight  0.10000E+01 volume  0.41396E-03 ppm1      8.382 ppm2      2.043 CV     1
 OR {  505}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 5    and name HB  ))
 OR {  505}
   (( segid "PAH2" and resid 8    and name HN  ))
   (( segid "PAH2" and resid 6    and name HB3 ))
 ASSI {  602}
   (( segid "PAH2" and resid 31   and name HN  ))
   (( segid "PAH2" and resid 31   and name HA  ))
      2.600     0.800     0.800 peak   602 weight  0.10000E+01 volume  0.36504E-02 ppm1      8.096 ppm2      3.845 CV     1
 OR {  602}
   (( segid "PAH2" and resid 31   and name HN  ))
   (( segid "PAH2" and resid 30   and name HB3 ))
 ASSI {  604}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 31   and name HB3 ))
      2.500     0.800     0.800 peak   604 weight  0.10000E+01 volume  0.36573E-02 ppm1      7.634 ppm2      3.446 CV     1
 OR {  604}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 32   and name HA  ))
 ASSI {  628}
   (( segid "PAH2" and resid 10   and name HN  ))
   (  segid "PAH2" and resid 7    and name HD% )
      5.600     3.900     0.400 peak   628 weight  0.10000E+01 volume  0.34350E-04 ppm1      8.160 ppm2      7.156 CV     1
 OR {  628}
   (( segid "PAH2" and resid 10   and name HN  ))
   (  segid "PAH2" and resid 79   and name HD% )
 ASSI {  643}
   (( segid "PAH2" and resid 13   and name HN  ))
   (( segid "PAH2" and resid 14   and name HB  ))
      4.500     2.500     1.500 peak   643 weight  0.10000E+01 volume  0.12561E-03 ppm1      8.129 ppm2      2.004 CV     1
 OR {  643}
   (( segid "PAH2" and resid 13   and name HN  ))
   (( segid "PAH2" and resid 16   and name HB2 ))
 OR {  643}
   (( segid "PAH2" and resid 13   and name HN  ))
   (( segid "PAH2" and resid 16   and name HB3 ))
 ASSI {  651}
   (( segid "PAH2" and resid 14   and name HN  ))
   (  segid "PAH2" and resid 11   and name HG2%)
      3.700     1.700     1.700 peak   651 weight  0.10000E+01 volume  0.38425E-03 ppm1      8.583 ppm2      0.878 CV     1
 OR {  651}
   (( segid "PAH2" and resid 14   and name HN  ))
   (  segid "MAD1" and resid 205  and name HD1%)
 ASSI {  665}
   (( segid "PAH2" and resid 16   and name HN  ))
   (  segid "MAD1" and resid 212  and name HD1%)
      4.000     2.000     2.000 peak   665 weight  0.10000E+01 volume  0.23287E-03 ppm1      7.955 ppm2      0.931 CV     1
 OR {  665}
   (( segid "PAH2" and resid 16   and name HN  ))
   (  segid "PAH2" and resid 11   and name HG2%)
 ASSI {  671}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 16   and name HG3 ))
      3.800     1.800     1.800 peak   671 weight  0.10000E+01 volume  0.34158E-03 ppm1      7.639 ppm2      1.594 CV     1
 OR {  671}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 18   and name HB3 ))
 OR {  671}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 20   and name HB2 ))
 ASSI {  672}
   (( segid "PAH2" and resid 17   and name HN  ))
   (( segid "PAH2" and resid 16   and name HG2 ))
      3.200     1.300     1.300 peak   672 weight  0.10000E+01 volume  0.91593E-03 ppm1      7.639 ppm2      1.166 CV     1
 OR {  672}
   (( segid "PAH2" and resid 17   and name HN  ))
   (  segid "PAH2" and resid 19   and name HG2%)
 OR {  672}
   (( segid "PAH2" and resid 17   and name HN  ))
   (  segid "PAH2" and resid 14   and name HG1%)
 ASSI {  688}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 21   and name HN  ))
      4.500     2.500     1.500 peak   688 weight  0.10000E+01 volume  0.12712E-03 ppm1      8.091 ppm2      7.224 CV     1
 OR {  688}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 22   and name HN  ))
 ASSI {  696}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 18   and name HE3 ))
      4.700     2.700     1.300 peak   696 weight  0.10000E+01 volume  0.96410E-04 ppm1      8.091 ppm2      2.778 CV     1
 OR {  696}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 18   and name HE2 ))
 OR {  696}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 15   and name HB2 ))
 ASSI {  697}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 22   and name HG  ))
      4.000     2.000     2.000 peak   697 weight  0.10000E+01 volume  0.24569E-03 ppm1      8.091 ppm2      1.871 CV     1
 OR {  697}
   (( segid "PAH2" and resid 19   and name HN  ))
   (( segid "PAH2" and resid 17   and name HB  ))
 ASSI {  705}
   (( segid "PAH2" and resid 20   and name HN  ))
   (( segid "PAH2" and resid 20   and name HG3 ))
      3.200     1.300     1.300 peak   705 weight  0.10000E+01 volume  0.98209E-03 ppm1      7.992 ppm2      0.844 CV     1
 OR {  705}
   (( segid "PAH2" and resid 20   and name HN  ))
   (  segid "PAH2" and resid 17   and name HG2%)
 OR {  705}
   (( segid "PAH2" and resid 20   and name HN  ))
   (  segid "PAH2" and resid 22   and name HD2%)
 ASSI {  708}
   (( segid "PAH2" and resid 20   and name HN  ))
   (( segid "PAH2" and resid 18   and name HA  ))
      2.900     1.000     1.000 peak   708 weight  0.10000E+01 volume  0.17726E-02 ppm1      7.995 ppm2      3.074 CV     1
 OR {  708}
   (( segid "PAH2" and resid 20   and name HN  ))
   (( segid "PAH2" and resid 20   and name HD2 ))
 ASSI {  714}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 22   and name HB2 ))
      4.300     2.300     1.700 peak   714 weight  0.10000E+01 volume  0.16037E-03 ppm1      7.209 ppm2      1.795 CV     1
 OR {  714}
   (( segid "PAH2" and resid 21   and name HN  ))
   (( segid "PAH2" and resid 17   and name HB  ))
 ASSI {  720}
   (( segid "PAH2" and resid 22   and name HN  ))
   (( segid "PAH2" and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   720 weight  0.10000E+01 volume  0.15474E-02 ppm1      7.224 ppm2      3.739 CV     1
 OR {  720}
   (( segid "PAH2" and resid 22   and name HN  ))
   (( segid "PAH2" and resid 19   and name HA  ))
 ASSI {  725}
   (( segid "PAH2" and resid 22   and name HN  ))
   (( segid "PAH2" and resid 20   and name HB3 ))
      3.900     1.900     1.900 peak   725 weight  0.10000E+01 volume  0.28372E-03 ppm1      7.224 ppm2      1.105 CV     1
 OR {  725}
   (( segid "PAH2" and resid 22   and name HN  ))
   (  segid "PAH2" and resid 19   and name HG2%)
 ASSI {  731}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   731 weight  0.10000E+01 volume  0.39551E-03 ppm1      8.666 ppm2      3.476 CV     1
 OR {  731}
   (( segid "PAH2" and resid 23   and name HN  ))
   (( segid "PAH2" and resid 25   and name HD3 ))
 ASSI {  752}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 26   and name HB3 ))
      2.100     0.500     0.500 peak   752 weight  0.10000E+01 volume  0.13065E-01 ppm1     10.319 ppm2      2.133 CV     1
 OR {  752}
   (( segid "PAH2" and resid 26   and name HN  ))
   (( segid "PAH2" and resid 25   and name HG3 ))
 ASSI {  769}
   (( segid "PAH2" and resid 28   and name HN  ))
   (  segid "PAH2" and resid 27   and name HD1%)
      4.300     2.300     1.700 peak   769 weight  0.10000E+01 volume  0.16971E-03 ppm1      6.700 ppm2      0.741 CV     1
 OR {  769}
   (( segid "PAH2" and resid 28   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD2%)
 OR {  769}
   (( segid "PAH2" and resid 28   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD1%)
 ASSI {  793}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   793 weight  0.10000E+01 volume  0.46753E-02 ppm1      7.634 ppm2      8.054 CV     1
 OR {  793}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 31   and name HN  ))
 ASSI {  794}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 30   and name HN  ))
      4.600     2.700     1.400 peak   794 weight  0.10000E+01 volume  0.10529E-03 ppm1      7.634 ppm2      8.280 CV     1
 OR {  794}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 29   and name HN  ))
 ASSI {  809}
   (( segid "PAH2" and resid 34   and name HN  ))
   (  segid "PAH2" and resid 62   and name HG2%)
      3.800     1.800     1.800 peak   809 weight  0.10000E+01 volume  0.33520E-03 ppm1      7.999 ppm2      0.528 CV     1
 OR {  809}
   (( segid "PAH2" and resid 34   and name HN  ))
   (  segid "PAH2" and resid 35   and name HD2%)
 ASSI {  811}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 35   and name HB2 ))
      2.300     0.700     0.700 peak   811 weight  0.10000E+01 volume  0.60887E-02 ppm1      7.326 ppm2      1.732 CV     1
 OR {  811}
   (( segid "PAH2" and resid 35   and name HN  ))
   (( segid "PAH2" and resid 34   and name HG12))
 ASSI {  814}
   (( segid "PAH2" and resid 35   and name HN  ))
   (  segid "PAH2" and resid 34   and name HG2%)
      2.900     1.100     1.100 peak   814 weight  0.10000E+01 volume  0.16821E-02 ppm1      7.327 ppm2      0.736 CV     1
 OR {  814}
   (( segid "PAH2" and resid 35   and name HN  ))
   (  segid "PAH2" and resid 58   and name HG1%)
 ASSI {  838}
   (( segid "PAH2" and resid 39   and name HN  ))
   (  segid "MAD1" and resid 206  and name HD2%)
      3.800     1.800     1.800 peak   838 weight  0.10000E+01 volume  0.31286E-03 ppm1      8.344 ppm2      0.558 CV     1
 OR {  838}
   (( segid "PAH2" and resid 39   and name HN  ))
   (  segid "PAH2" and resid 35   and name HD2%)
 ASSI {  841}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 38   and name HN  ))
      2.600     0.800     0.800 peak   841 weight  0.10000E+01 volume  0.32719E-02 ppm1      8.344 ppm2      8.141 CV     1
 OR {  841}
   (( segid "PAH2" and resid 39   and name HN  ))
   (( segid "PAH2" and resid 40   and name HN  ))
 ASSI {  844}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   844 weight  0.10000E+01 volume  0.23612E-02 ppm1      8.150 ppm2      3.856 CV     1
 OR {  844}
   (( segid "PAH2" and resid 40   and name HN  ))
   (( segid "PAH2" and resid 37   and name HA  ))
 ASSI {  859}
   (( segid "PAH2" and resid 42   and name HN  ))
   (  segid "PAH2" and resid 38   and name HD% )
      3.900     1.900     1.900 peak   859 weight  0.10000E+01 volume  0.28099E-03 ppm1      7.658 ppm2      6.979 CV     1
 OR {  859}
   (( segid "PAH2" and resid 42   and name HN  ))
   (( segid "PAH2" and resid 42   and name HE22))
 ASSI {  898}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 53   and name HB3 ))
      4.100     2.100     1.900 peak   898 weight  0.10000E+01 volume  0.22370E-03 ppm1      7.758 ppm2      2.004 CV     1
 OR {  898}
   (( segid "PAH2" and resid 52   and name HN  ))
   (( segid "PAH2" and resid 49   and name HG2 ))
 ASSI {  932}
   (( segid "PAH2" and resid 58   and name HN  ))
   (( segid "PAH2" and resid 57   and name HG3 ))
      2.500     0.800     0.800 peak   932 weight  0.10000E+01 volume  0.36944E-02 ppm1      8.052 ppm2      2.352 CV     1
 OR {  932}
   (( segid "PAH2" and resid 58   and name HN  ))
   (( segid "PAH2" and resid 57   and name HG2 ))
 OR {  932}
   (( segid "PAH2" and resid 58   and name HN  ))
   (( segid "PAH2" and resid 56   and name HG3 ))
 ASSI {  933}
   (( segid "PAH2" and resid 58   and name HN  ))
   (( segid "PAH2" and resid 58   and name HB  ))
      2.200     0.600     0.600 peak   933 weight  0.10000E+01 volume  0.86137E-02 ppm1      8.051 ppm2      2.104 CV     1
 OR {  933}
   (( segid "PAH2" and resid 58   and name HN  ))
   (  segid "PAH2" and resid 53   and name HE% )
 ASSI {  945}
   (( segid "PAH2" and resid 61   and name HN  ))
   (( segid "PAH2" and resid 60   and name HN  ))
      2.400     0.700     0.700 peak   945 weight  0.10000E+01 volume  0.56749E-02 ppm1      7.970 ppm2      8.307 CV     1
 OR {  945}
   (( segid "PAH2" and resid 61   and name HN  ))
   (( segid "PAH2" and resid 62   and name HN  ))
 ASSI {  962}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   962 weight  0.10000E+01 volume  0.23902E-02 ppm1      8.339 ppm2      4.000 CV     1
 OR {  962}
   (( segid "PAH2" and resid 62   and name HN  ))
   (( segid "PAH2" and resid 59   and name HA  ))
 ASSI {  963}
   (( segid "PAH2" and resid 63   and name HN  ))
   (( segid "PAH2" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   963 weight  0.10000E+01 volume  0.42384E-03 ppm1      8.717 ppm2      3.991 CV     1
 OR {  963}
   (( segid "PAH2" and resid 63   and name HN  ))
   (( segid "PAH2" and resid 61   and name HA  ))
 ASSI {  973}
   (( segid "PAH2" and resid 64   and name HN  ))
   (( segid "PAH2" and resid 63   and name HA  ))
      3.000     1.100     1.100 peak   973 weight  0.10000E+01 volume  0.14279E-02 ppm1      7.522 ppm2      3.731 CV     1
 OR {  973}
   (( segid "PAH2" and resid 64   and name HN  ))
   (( segid "PAH2" and resid 60   and name HA  ))
 ASSI {  976}
   (( segid "PAH2" and resid 64   and name HN  ))
   (  segid "PAH2" and resid 34   and name HD1%)
      4.200     2.200     1.800 peak   976 weight  0.10000E+01 volume  0.18295E-03 ppm1      7.522 ppm2      0.759 CV     1
 OR {  976}
   (( segid "PAH2" and resid 64   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD1%)
 OR {  976}
   (( segid "PAH2" and resid 64   and name HN  ))
   (  segid "PAH2" and resid 34   and name HG2%)
 ASSI { 1001}
   (( segid "PAH2" and resid 67   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD2%)
      4.100     2.100     1.900 peak  1001 weight  0.10000E+01 volume  0.21732E-03 ppm1      6.967 ppm2      0.756 CV     1
 OR { 1001}
   (( segid "PAH2" and resid 67   and name HN  ))
   (  segid "PAH2" and resid 27   and name HD1%)
 OR { 1001}
   (( segid "PAH2" and resid 67   and name HN  ))
   (  segid "PAH2" and resid 65   and name HD1%)
 ASSI { 1017}
   (( segid "PAH2" and resid 70   and name HN  ))
   (( segid "PAH2" and resid 70   and name HB2 ))
      1.900     0.500     0.500 peak  1017 weight  0.10000E+01 volume  0.19294E-01 ppm1      8.593 ppm2      2.083 CV     1
 OR { 1017}
   (( segid "PAH2" and resid 6    and name HN  ))
   (( segid "PAH2" and resid 6    and name HB2 ))
 OR { 1017}
   (( segid "PAH2" and resid 6    and name HN  ))
   (( segid "PAH2" and resid 5    and name HB  ))
 ASSI { 1020}
   (( segid "PAH2" and resid 70   and name HN  ))
   (( segid "PAH2" and resid 69   and name HB2 ))
      3.300     1.400     1.400 peak  1020 weight  0.10000E+01 volume  0.74179E-03 ppm1      8.592 ppm2      1.832 CV     1
 OR { 1020}
   (( segid "PAH2" and resid 70   and name HN  ))
   (( segid "PAH2" and resid 69   and name HB3 ))
 OR { 1020}
   (( segid "PAH2" and resid 70   and name HN  ))
   (( segid "PAH2" and resid 73   and name HB3 ))
 ASSI { 1025}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 69   and name HB3 ))
      4.100     2.100     1.900 peak  1025 weight  0.10000E+01 volume  0.21877E-03 ppm1      8.986 ppm2      1.832 CV     1
 OR { 1025}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 69   and name HB2 ))
 OR { 1025}
   (( segid "PAH2" and resid 71   and name HN  ))
   (( segid "PAH2" and resid 73   and name HB3 ))
 ASSI { 1030}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 69   and name HB3 ))
      3.100     1.200     1.200 peak  1030 weight  0.10000E+01 volume  0.12235E-02 ppm1      7.775 ppm2      1.833 CV     1
 OR { 1030}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 69   and name HB2 ))
 OR { 1030}
   (( segid "PAH2" and resid 72   and name HN  ))
   (( segid "PAH2" and resid 73   and name HB3 ))
 ASSI { 1048}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 78   and name HG2 ))
      3.400     1.400     1.400 peak  1048 weight  0.10000E+01 volume  0.66749E-03 ppm1      7.910 ppm2      1.595 CV     1
 OR { 1048}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 72   and name HG  ))
 OR { 1048}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 78   and name HB3 ))
 ASSI { 1049}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  1049 weight  0.10000E+01 volume  0.27379E-02 ppm1      7.907 ppm2      4.291 CV     1
 OR { 1049}
   (( segid "PAH2" and resid 75   and name HN  ))
   (( segid "PAH2" and resid 72   and name HA  ))
 ASSI { 1056}
   (( segid "PAH2" and resid 76   and name HN  ))
   (  segid "PAH2" and resid 79   and name HD% )
      4.400     2.500     1.600 peak  1056 weight  0.10000E+01 volume  0.13205E-03 ppm1      7.641 ppm2      7.111 CV     1
 OR { 1056}
   (( segid "PAH2" and resid 76   and name HN  ))
   (  segid "PAH2" and resid 76   and name HE% )
 ASSI { 1061}
   (( segid "PAH2" and resid 77   and name HN  ))
   (( segid "PAH2" and resid 80   and name HN  ))
      3.900     1.900     1.900 peak  1061 weight  0.10000E+01 volume  0.29858E-03 ppm1      7.753 ppm2      6.831 CV     1
 OR { 1061}
   (( segid "PAH2" and resid 77   and name HN  ))
   (  segid "PAH2" and resid 13   and name HE% )
 ASSI { 1066}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 76   and name HA  ))
      4.100     2.100     1.900 peak  1066 weight  0.10000E+01 volume  0.21789E-03 ppm1      7.271 ppm2      4.296 CV     1
 OR { 1066}
   (( segid "PAH2" and resid 78   and name HN  ))
   (( segid "PAH2" and resid 74   and name HA  ))
 ASSI { 1079}
   (( segid "PAH2" and resid 80   and name HN  ))
   (( segid "PAH2" and resid 78   and name HA  ))
      3.500     1.500     1.500 peak  1079 weight  0.10000E+01 volume  0.58217E-03 ppm1      6.852 ppm2      3.833 CV     1
 OR { 1079}
   (( segid "PAH2" and resid 80   and name HN  ))
   (( segid "PAH2" and resid 77   and name HA2 ))
 ASSI { 1089}
   (( segid "PAH2" and resid 82   and name HN  ))
   (( segid "PAH2" and resid 82   and name HB2 ))
      2.300     0.700     0.700 peak  1089 weight  0.10000E+01 volume  0.64776E-02 ppm1      9.150 ppm2      1.958 CV     1
 OR { 1089}
   (( segid "PAH2" and resid 82   and name HN  ))
   (( segid "PAH2" and resid 82   and name HB3 ))
 OR { 1089}
   (( segid "PAH2" and resid 82   and name HN  ))
   (( segid "PAH2" and resid 81   and name HB3 ))
 ASSI { 1177}
   (( segid "PAH2" and resid 6    and name HN  ))
   (( segid "PAH2" and resid 9    and name HB3 ))
      4.200     2.200     1.800 peak  1177 weight  0.10000E+01 volume  0.17762E-03 ppm1      8.588 ppm2      3.010 CV     1
 OR { 1177}
   (( segid "PAH2" and resid 6    and name HN  ))
   (( segid "PAH2" and resid 7    and name HB3 ))
 ASSI { 1181}
   (( segid "PAH2" and resid 9    and name HN  ))
   (  segid "PAH2" and resid 10   and name HB% )
      3.600     1.600     1.600 peak  1181 weight  0.10000E+01 volume  0.48774E-03 ppm1      8.376 ppm2      1.400 CV     1
 OR { 1181}
   (( segid "PAH2" and resid 59   and name HN  ))
   (( segid "PAH2" and resid 80   and name HB3 ))
 ASSI { 1195}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 28   and name HA  ))
      3.600     1.600     1.600 peak  1195 weight  0.10000E+01 volume  0.46876E-03 ppm1      7.634 ppm2      4.168 CV     1
 OR { 1195}
   (( segid "PAH2" and resid 32   and name HN  ))
   (( segid "PAH2" and resid 30   and name HA  ))
 ASSI { 1198}
   (( segid "PAH2" and resid 38   and name HN  ))
   (( segid "PAH2" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1198 weight  0.10000E+01 volume  0.42703E-02 ppm1      8.185 ppm2      3.805 CV     1
 OR { 1198}
   (( segid "PAH2" and resid 38   and name HN  ))
   (( segid "PAH2" and resid 37   and name HA  ))
 ASSI { 1199}
   (( segid "PAH2" and resid 36   and name HN  ))
   (  segid "MAD1" and resid 206  and name HD1%)
      2.900     1.100     1.100 peak  1199 weight  0.10000E+01 volume  0.15271E-02 ppm1      8.722 ppm2      0.444 CV     1
 OR { 1199}
   (( segid "PAH2" and resid 36   and name HN  ))
   (  segid "PAH2" and resid 35   and name HD1%)
 ASSI { 1213}
   (( segid "PAH2" and resid 74   and name HN  ))
   (( segid "PAH2" and resid 73   and name HN  ))
      2.300     0.600     0.600 peak  1213 weight  0.10000E+01 volume  0.75688E-02 ppm1      8.318 ppm2      7.891 CV     1
 OR { 1213}
   (( segid "PAH2" and resid 74   and name HN  ))
   (( segid "PAH2" and resid 75   and name HN  ))
 ASSI { 1219}
   (( segid "PAH2" and resid 60   and name HN  ))
   (( segid "PAH2" and resid 60   and name HB  ))
      2.300     0.600     0.600 peak  1219 weight  0.10000E+01 volume  0.71567E-02 ppm1      8.318 ppm2      4.294 CV     1
 OR { 1219}
   (( segid "PAH2" and resid 74   and name HN  ))
   (( segid "PAH2" and resid 74   and name HA  ))
 ASSI { 1223}
   (( segid "PAH2" and resid 74   and name HN  ))
   (  segid "PAH2" and resid 13   and name HE% )
      5.300     3.500     0.700 peak  1223 weight  0.10000E+01 volume  0.46475E-04 ppm1      8.320 ppm2      6.779 CV     1
 OR { 1223}
   (( segid "PAH2" and resid 60   and name HN  ))
   (( segid "PAH2" and resid 76   and name HZ  ))
 ASSI { 1244}
   (( segid "PAH2" and resid 47   and name HN  ))
   (( segid "PAH2" and resid 47   and name HA2 ))
      2.800     1.000     1.000 peak  1244 weight  0.10000E+01 volume  0.20495E-02 ppm1      8.693 ppm2      4.132 CV     1
 OR { 1244}
   (( segid "PAH2" and resid 47   and name HN  ))
   (( segid "PAH2" and resid 46   and name HA  ))
 ASSI { 1245}
   (( segid "PAH2" and resid 60   and name HN  ))
   (( segid "PAH2" and resid 57   and name HG3 ))
      3.500     1.500     1.500 peak  1245 weight  0.10000E+01 volume  0.57667E-03 ppm1      8.318 ppm2      2.332 CV     1
 OR { 1245}
   (( segid "PAH2" and resid 74   and name HN  ))
   (( segid "PAH2" and resid 75   and name HG2 ))
 OR { 1245}
   (( segid "PAH2" and resid 60   and name HN  ))
   (( segid "PAH2" and resid 56   and name HG3 ))
 OR { 1245}
   (( segid "PAH2" and resid 74   and name HN  ))
   (( segid "PAH2" and resid 70   and name HG2 ))
 ASSI { 1255}
   (( segid "PAH2" and resid 42   and name HE22))
   (( segid "PAH2" and resid 42   and name HB3 ))
      2.800     0.900     0.900 peak  1255 weight  0.10000E+01 volume  0.22939E-02 ppm1      6.992 ppm2      2.078 CV     1
 OR { 1255}
   (( segid "PAH2" and resid 42   and name HE22))
   (( segid "MAD1" and resid 203  and name HB2 ))
 ASSI { 1267}
   (( segid "PAH2" and resid 64   and name HD21))
   (( segid "PAH2" and resid 60   and name HB  ))
      4.100     2.100     1.900 peak  1267 weight  0.10000E+01 volume  0.22039E-03 ppm1      7.680 ppm2      4.386 CV     1
 OR { 1267}
   (( segid "PAH2" and resid 64   and name HD21))
   (( segid "PAH2" and resid 64   and name HA  ))
 ASSI { 1278}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 6    and name HN  ))
      4.700     2.700     1.300 peak  1278 weight  0.10000E+01 volume  0.97919E-04 ppm1      7.881 ppm2      8.553 CV     1
 OR { 1278}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 7    and name HN  ))
 ASSI { 1285}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 5    and name HB  ))
      4.600     2.700     1.400 peak  1285 weight  0.10000E+01 volume  0.10158E-03 ppm1      7.881 ppm2      2.052 CV     1
 OR { 1285}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 6    and name HB3 ))
 OR { 1285}
   (( segid "PAH2" and resid 9    and name HD22))
   (( segid "PAH2" and resid 6    and name HB2 ))
 ASSI { 1292}
   (( segid "PAH2" and resid 9    and name HD21))
   (( segid "PAH2" and resid 5    and name HB  ))
      5.000     3.100     1.000 peak  1292 weight  0.10000E+01 volume  0.66111E-04 ppm1      6.905 ppm2      2.039 CV     1
 OR { 1292}
   (( segid "PAH2" and resid 9    and name HD21))
   (( segid "PAH2" and resid 6    and name HB3 ))
 ASSI { 1317}
   (( segid "PAH2" and resid 15   and name HD22))
   (( segid "PAH2" and resid 19   and name HB  ))
      4.600     2.600     1.400 peak  1317 weight  0.10000E+01 volume  0.11167E-03 ppm1      6.747 ppm2      4.122 CV     1
 OR { 1317}
   (( segid "PAH2" and resid 15   and name HD22))
   (( segid "MAD1" and resid 209  and name HA  ))
 ASSI { 1319}
   (( segid "PAH2" and resid 15   and name HD22))
   (  segid "PAH2" and resid 19   and name HG2%)
      4.100     2.100     1.900 peak  1319 weight  0.10000E+01 volume  0.21842E-03 ppm1      6.747 ppm2      1.142 CV     1
 OR { 1319}
   (( segid "PAH2" and resid 15   and name HD22))
   (( segid "PAH2" and resid 11   and name HG12))
 ASSI { 1345}
   (( segid "PAH2" and resid 39   and name HE22))
   (( segid "PAH2" and resid 39   and name HN  ))
      5.500     3.700     0.500 peak  1345 weight  0.10000E+01 volume  0.37572E-04 ppm1      7.386 ppm2      8.356 CV     1
 OR { 1345}
   (( segid "PAH2" and resid 39   and name HE22))
   (( segid "PAH2" and resid 36   and name HE1 ))
 ASSI {  616}
   (( segid "PAH2" and resid 5    and name HA  ))
   (( segid "PAH2" and resid 4    and name HA  ))
      3.700     1.700     1.700 peak   616 weight  0.10000E+01 volume  0.39244E-03 ppm1      3.855 ppm2      4.541 CV     1
 OR {  616}
   (( segid "PAH2" and resid 5    and name HA  ))
   (( segid "PAH2" and resid 9    and name HA  ))
 ASSI {  666}
   (( segid "PAH2" and resid 8    and name HA  ))
   (( segid "PAH2" and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   666 weight  0.10000E+01 volume  0.79354E-02 ppm1      4.340 ppm2      8.407 CV     1
 OR {  666}
   (( segid "PAH2" and resid 8    and name HA  ))
   (( segid "PAH2" and resid 9    and name HN  ))
 ASSI {  673}
   (( segid "PAH2" and resid 8    and name HB3 ))
   (( segid "PAH2" and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   673 weight  0.10000E+01 volume  0.74097E-02 ppm1      2.946 ppm2      8.395 CV     1
 OR {  673}
   (( segid "PAH2" and resid 8    and name HB3 ))
   (( segid "PAH2" and resid 9    and name HN  ))
 ASSI {  695}
   (( segid "PAH2" and resid 10   and name HA  ))
   (( segid "PAH2" and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   695 weight  0.10000E+01 volume  0.35060E-02 ppm1      4.123 ppm2      8.168 CV     1
 OR {  695}
   (( segid "PAH2" and resid 10   and name HA  ))
   (( segid "PAH2" and resid 13   and name HN  ))
 ASSI {  702}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "PAH2" and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   702 weight  0.10000E+01 volume  0.90010E-03 ppm1      1.443 ppm2      3.434 CV     1
 OR {  702}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "PAH2" and resid 13   and name HB2 ))
 ASSI {  707}
   (  segid "PAH2" and resid 10   and name HB% )
   (  segid "PAH2" and resid 7    and name HD% )
      2.600     0.900     0.900 peak   707 weight  0.10000E+01 volume  0.30193E-02 ppm1      1.443 ppm2      7.181 CV     1
 OR {  707}
   (  segid "PAH2" and resid 10   and name HB% )
   (  segid "PAH2" and resid 79   and name HD% )
 ASSI {  720}
   (( segid "PAH2" and resid 11   and name HA  ))
   (( segid "PAH2" and resid 14   and name HN  ))
      3.300     1.300     1.300 peak   720 weight  0.10000E+01 volume  0.80775E-03 ppm1      3.438 ppm2      8.601 CV     1
 OR {  720}
   (( segid "PAH2" and resid 11   and name HA  ))
   (( segid "PAH2" and resid 15   and name HN  ))
 ASSI {  734}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   734 weight  0.10000E+01 volume  0.26285E-02 ppm1      0.898 ppm2      4.145 CV     1
 OR {  734}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "MAD1" and resid 208  and name HA  ))
 ASSI {  735}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "MAD1" and resid 208  and name HA  ))
      2.900     1.000     1.000 peak   735 weight  0.10000E+01 volume  0.16737E-02 ppm1      0.898 ppm2      4.053 CV     1
 OR {  735}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "MAD1" and resid 212  and name HA  ))
 ASSI {  736}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 8    and name HA  ))
      2.900     1.000     1.000 peak   736 weight  0.10000E+01 volume  0.17753E-02 ppm1      0.898 ppm2      4.328 CV     1
 OR {  736}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 15   and name HA  ))
 ASSI {  742}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   742 weight  0.10000E+01 volume  0.52059E-03 ppm1      0.898 ppm2      8.601 CV     1
 OR {  742}
   (  segid "PAH2" and resid 11   and name HG2%)
   (( segid "PAH2" and resid 14   and name HN  ))
 ASSI {  750}
   (( segid "PAH2" and resid 11   and name HG13))
   (( segid "MAD1" and resid 208  and name HA  ))
      3.600     1.600     1.600 peak   750 weight  0.10000E+01 volume  0.42640E-03 ppm1      0.547 ppm2      4.099 CV     1
 OR {  750}
   (( segid "PAH2" and resid 11   and name HG13))
   (( segid "PAH2" and resid 10   and name HA  ))
 ASSI {  769}
   (( segid "PAH2" and resid 12   and name HA  ))
   (  segid "PAH2" and resid 11   and name HG2%)
      3.000     1.100     1.100 peak   769 weight  0.10000E+01 volume  0.13513E-02 ppm1      4.193 ppm2      0.924 CV     1
 OR {  769}
   (( segid "PAH2" and resid 12   and name HA  ))
   (  segid "MAD1" and resid 212  and name HD1%)
 ASSI {  797}
   (( segid "PAH2" and resid 14   and name HB  ))
   (( segid "PAH2" and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   797 weight  0.10000E+01 volume  0.23784E-02 ppm1      2.061 ppm2      3.397 CV     1
 OR {  797}
   (( segid "PAH2" and resid 14   and name HB  ))
   (( segid "PAH2" and resid 11   and name HA  ))
 ASSI {  872}
   (( segid "PAH2" and resid 17   and name HA  ))
   (  segid "PAH2" and resid 72   and name HD2%)
      3.000     1.100     1.100 peak   872 weight  0.10000E+01 volume  0.12930E-02 ppm1      3.136 ppm2      0.497 CV     1
 OR {  872}
   (( segid "PAH2" and resid 17   and name HA  ))
   (( segid "PAH2" and resid 20   and name HG3 ))
 ASSI {  885}
   (( segid "PAH2" and resid 17   and name HB  ))
   (( segid "PAH2" and resid 16   and name HN  ))
      5.000     3.200     1.000 peak   885 weight  0.10000E+01 volume  0.58113E-04 ppm1      1.843 ppm2      8.015 CV     1
 OR {  885}
   (( segid "PAH2" and resid 17   and name HB  ))
   (( segid "PAH2" and resid 20   and name HN  ))
 ASSI {  893}
   (  segid "PAH2" and resid 17   and name HG2%)
   (  segid "PAH2" and resid 66   and name HE% )
      2.200     0.600     0.600 peak   893 weight  0.10000E+01 volume  0.77720E-02 ppm1      0.808 ppm2      6.718 CV     1
 OR {  893}
   (  segid "PAH2" and resid 17   and name HG2%)
   (  segid "PAH2" and resid 28   and name HE% )
 ASSI {  898}
   (  segid "PAH2" and resid 17   and name HG2%)
   (( segid "PAH2" and resid 31   and name HN  ))
      3.800     1.800     1.800 peak   898 weight  0.10000E+01 volume  0.31109E-03 ppm1      0.808 ppm2      8.103 CV     1
 OR {  898}
   (  segid "PAH2" and resid 17   and name HG2%)
   (( segid "PAH2" and resid 19   and name HN  ))
 ASSI {  918}
   (  segid "PAH2" and resid 17   and name HD1%)
   (  segid "PAH2" and resid 13   and name HE% )
      2.100     0.500     0.500 peak   918 weight  0.10000E+01 volume  0.11672E-01 ppm1      0.017 ppm2      6.845 CV     1
 OR {  918}
   (  segid "PAH2" and resid 17   and name HD1%)
   (  segid "PAH2" and resid 31   and name HD% )
 ASSI {  922}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 16   and name HN  ))
      3.600     1.700     1.700 peak   922 weight  0.10000E+01 volume  0.40927E-03 ppm1      0.017 ppm2      7.964 CV     1
 OR {  922}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 20   and name HN  ))
 OR {  922}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 75   and name HN  ))
 ASSI {  974}
   (( segid "PAH2" and resid 19   and name HA  ))
   (( segid "PAH2" and resid 22   and name HN  ))
      2.800     1.000     1.000 peak   974 weight  0.10000E+01 volume  0.19437E-02 ppm1      3.761 ppm2      7.236 CV     1
 OR {  974}
   (( segid "PAH2" and resid 19   and name HA  ))
   (( segid "PAH2" and resid 21   and name HN  ))
 ASSI {  977}
   (( segid "PAH2" and resid 19   and name HA  ))
   (( segid "PAH2" and resid 22   and name HB3 ))
      3.100     1.200     1.200 peak   977 weight  0.10000E+01 volume  0.99743E-03 ppm1      3.761 ppm2      1.603 CV     1
 OR {  977}
   (( segid "PAH2" and resid 19   and name HA  ))
   (( segid "PAH2" and resid 18   and name HB2 ))
 ASSI {  994}
   (( segid "PAH2" and resid 20   and name HA  ))
   (( segid "PAH2" and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   994 weight  0.10000E+01 volume  0.20275E-02 ppm1      3.799 ppm2      7.236 CV     1
 OR {  994}
   (( segid "PAH2" and resid 20   and name HA  ))
   (( segid "PAH2" and resid 22   and name HN  ))
 ASSI { 1013}
   (( segid "PAH2" and resid 22   and name HA  ))
   (( segid "PAH2" and resid 24   and name HN  ))
      3.200     1.300     1.300 peak  1013 weight  0.10000E+01 volume  0.93491E-03 ppm1      4.020 ppm2      7.705 CV     1
 OR { 1013}
   (( segid "PAH2" and resid 40   and name HA  ))
   (( segid "PAH2" and resid 42   and name HN  ))
 ASSI { 1018}
   (( segid "PAH2" and resid 22   and name HB3 ))
   (( segid "PAH2" and resid 19   and name HA  ))
      3.900     1.900     1.900 peak  1018 weight  0.10000E+01 volume  0.27572E-03 ppm1      1.588 ppm2      3.761 CV     1
 OR { 1018}
   (( segid "PAH2" and resid 22   and name HB3 ))
   (( segid "PAH2" and resid 20   and name HA  ))
 ASSI { 1057}
   (( segid "PAH2" and resid 24   and name HA  ))
   (( segid "PAH2" and resid 24   and name HB3 ))
      2.100     0.600     0.600 peak  1057 weight  0.10000E+01 volume  0.10230E-01 ppm1      5.202 ppm2      3.485 CV     1
 OR { 1057}
   (( segid "PAH2" and resid 24   and name HA  ))
   (( segid "PAH2" and resid 25   and name HD3 ))
 ASSI { 1112}
   (( segid "PAH2" and resid 81   and name HD2 ))
   (( segid "PAH2" and resid 81   and name HG2 ))
      1.900     0.400     0.400 peak  1112 weight  0.10000E+01 volume  0.22727E-01 ppm1      3.732 ppm2      2.168 CV     1
 OR { 1112}
   (( segid "PAH2" and resid 25   and name HD2 ))
   (( segid "PAH2" and resid 25   and name HG3 ))
 OR { 1112}
   (( segid "PAH2" and resid 81   and name HD2 ))
   (( segid "PAH2" and resid 81   and name HG3 ))
 OR { 1112}
   (( segid "PAH2" and resid 81   and name HD3 ))
   (( segid "PAH2" and resid 81   and name HG2 ))
 ASSI { 1139}
   (( segid "PAH2" and resid 27   and name HA  ))
   (( segid "PAH2" and resid 27   and name HN  ))
      2.400     0.700     0.700 peak  1139 weight  0.10000E+01 volume  0.46596E-02 ppm1      3.676 ppm2      8.245 CV     1
 OR { 1139}
   (( segid "PAH2" and resid 27   and name HA  ))
   (( segid "PAH2" and resid 30   and name HN  ))
 ASSI { 1197}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 30   and name HA  ))
      3.600     1.700     1.700 peak  1197 weight  0.10000E+01 volume  0.41688E-03 ppm1      3.758 ppm2      4.180 CV     1
 OR { 1197}
   (( segid "PAH2" and resid 29   and name HA  ))
   (( segid "PAH2" and resid 28   and name HA  ))
 ASSI { 1203}
   (( segid "PAH2" and resid 29   and name HB2 ))
   (( segid "PAH2" and resid 29   and name HN  ))
      2.500     0.800     0.800 peak  1203 weight  0.10000E+01 volume  0.39343E-02 ppm1      1.894 ppm2      8.300 CV     1
 OR { 1203}
   (( segid "PAH2" and resid 29   and name HB2 ))
   (( segid "PAH2" and resid 30   and name HN  ))
 ASSI { 1206}
   (( segid "PAH2" and resid 29   and name HB3 ))
   (( segid "PAH2" and resid 30   and name HN  ))
      2.300     0.600     0.600 peak  1206 weight  0.10000E+01 volume  0.72036E-02 ppm1      1.956 ppm2      8.314 CV     1
 OR { 1206}
   (( segid "PAH2" and resid 29   and name HB3 ))
   (( segid "PAH2" and resid 29   and name HN  ))
 ASSI { 1214}
   (( segid "PAH2" and resid 29   and name HG2 ))
   (( segid "PAH2" and resid 29   and name HN  ))
      2.600     0.800     0.800 peak  1214 weight  0.10000E+01 volume  0.32495E-02 ppm1      1.888 ppm2      8.314 CV     1
 OR { 1214}
   (( segid "PAH2" and resid 29   and name HG2 ))
   (( segid "PAH2" and resid 30   and name HN  ))
 ASSI { 1228}
   (( segid "PAH2" and resid 30   and name HB2 ))
   (( segid "PAH2" and resid 26   and name HB2 ))
      3.600     1.600     1.600 peak  1228 weight  0.10000E+01 volume  0.47001E-03 ppm1      3.889 ppm2      2.136 CV     1
 OR { 1228}
   (( segid "PAH2" and resid 30   and name HB3 ))
   (( segid "PAH2" and resid 26   and name HB2 ))
 OR { 1228}
   (( segid "PAH2" and resid 30   and name HB2 ))
   (( segid "PAH2" and resid 25   and name HG2 ))
 ASSI { 1243}
   (( segid "PAH2" and resid 31   and name HB3 ))
   (  segid "PAH2" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak  1243 weight  0.10000E+01 volume  0.91076E-03 ppm1      3.498 ppm2      0.788 CV     1
 OR { 1243}
   (( segid "PAH2" and resid 31   and name HB3 ))
   (  segid "PAH2" and resid 65   and name HD1%)
 ASSI { 1279}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "MAD1" and resid 209  and name HA  ))
      3.800     1.800     1.800 peak  1279 weight  0.10000E+01 volume  0.31493E-03 ppm1      0.612 ppm2      4.162 CV     1
 OR { 1279}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "PAH2" and resid 28   and name HA  ))
 ASSI { 1293}
   (  segid "PAH2" and resid 32   and name HD2%)
   (  segid "PAH2" and resid 28   and name HD% )
      2.900     1.100     1.100 peak  1293 weight  0.10000E+01 volume  0.15096E-02 ppm1      0.612 ppm2      7.047 CV     1
 OR { 1293}
   (  segid "PAH2" and resid 32   and name HD2%)
   (( segid "PAH2" and resid 36   and name HD2 ))
 ASSI { 1316}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  1316 weight  0.10000E+01 volume  0.28971E-02 ppm1      0.768 ppm2      3.851 CV     1
 OR { 1316}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 31   and name HA  ))
 ASSI { 1317}
   (  segid "PAH2" and resid 34   and name HG2%)
   (  segid "PAH2" and resid 31   and name HD% )
      2.800     1.000     1.000 peak  1317 weight  0.10000E+01 volume  0.19920E-02 ppm1      0.768 ppm2      6.850 CV     1
 OR { 1317}
   (  segid "PAH2" and resid 34   and name HG2%)
   (( segid "PAH2" and resid 76   and name HZ  ))
 ASSI { 1343}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1343 weight  0.10000E+01 volume  0.38305E-02 ppm1      0.704 ppm2      8.018 CV     1
 OR { 1343}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 61   and name HN  ))
 ASSI { 1357}
   (( segid "PAH2" and resid 35   and name HB2 ))
   (  segid "MAD1" and resid 206  and name HD2%)
      2.500     0.800     0.800 peak  1357 weight  0.10000E+01 volume  0.40118E-02 ppm1      1.141 ppm2      0.578 CV     1
 OR { 1357}
   (( segid "PAH2" and resid 35   and name HB2 ))
   (  segid "PAH2" and resid 35   and name HD2%)
 ASSI { 1364}
   (( segid "PAH2" and resid 35   and name HB3 ))
   (  segid "PAH2" and resid 35   and name HD2%)
      2.600     0.800     0.800 peak  1364 weight  0.10000E+01 volume  0.33397E-02 ppm1      1.724 ppm2      0.578 CV     1
 OR { 1364}
   (( segid "PAH2" and resid 35   and name HB3 ))
   (  segid "MAD1" and resid 206  and name HD2%)
 ASSI { 1365}
   (( segid "PAH2" and resid 35   and name HB3 ))
   (  segid "MAD1" and resid 206  and name HD1%)
      2.500     0.800     0.800 peak  1365 weight  0.10000E+01 volume  0.36366E-02 ppm1      1.724 ppm2      0.440 CV     1
 OR { 1365}
   (( segid "PAH2" and resid 35   and name HB3 ))
   (  segid "PAH2" and resid 35   and name HD1%)
 ASSI { 1379}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "PAH2" and resid 58   and name HB  ))
      3.000     1.100     1.100 peak  1379 weight  0.10000E+01 volume  0.14088E-02 ppm1      0.553 ppm2      2.152 CV     1
 OR { 1379}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "MAD1" and resid 202  and name HB  ))
 ASSI { 1381}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "PAH2" and resid 32   and name HA  ))
      3.600     1.600     1.600 peak  1381 weight  0.10000E+01 volume  0.47115E-03 ppm1      0.553 ppm2      3.476 CV     1
 OR { 1381}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "PAH2" and resid 31   and name HB3 ))
 ASSI { 1385}
   (  segid "PAH2" and resid 35   and name HD2%)
   (( segid "PAH2" and resid 35   and name HN  ))
      2.500     0.800     0.800 peak  1385 weight  0.10000E+01 volume  0.37127E-02 ppm1      0.553 ppm2      7.350 CV     1
 OR { 1385}
   (  segid "PAH2" and resid 35   and name HD2%)
   (  segid "PAH2" and resid 76   and name HD% )
 ASSI { 1395}
   (  segid "PAH2" and resid 35   and name HD1%)
   (  segid "PAH2" and resid 31   and name HD% )
      2.600     0.900     0.900 peak  1395 weight  0.10000E+01 volume  0.30399E-02 ppm1      0.417 ppm2      6.878 CV     1
 OR { 1395}
   (  segid "PAH2" and resid 35   and name HD1%)
   (  segid "PAH2" and resid 13   and name HE% )
 ASSI { 1414}
   (( segid "PAH2" and resid 37   and name HA  ))
   (( segid "PAH2" and resid 38   and name HN  ))
      2.900     1.100     1.100 peak  1414 weight  0.10000E+01 volume  0.15878E-02 ppm1      3.863 ppm2      8.199 CV     1
 OR { 1414}
   (( segid "PAH2" and resid 37   and name HA  ))
   (( segid "PAH2" and resid 40   and name HN  ))
 ASSI { 1433}
   (( segid "PAH2" and resid 38   and name HA  ))
   (( segid "PAH2" and resid 57   and name HG2 ))
      3.600     1.600     1.600 peak  1433 weight  0.10000E+01 volume  0.44202E-03 ppm1      4.125 ppm2      2.352 CV     1
 OR { 1433}
   (( segid "PAH2" and resid 38   and name HA  ))
   (( segid "PAH2" and resid 39   and name HG2 ))
 OR { 1433}
   (( segid "PAH2" and resid 38   and name HA  ))
   (( segid "PAH2" and resid 57   and name HG3 ))
 OR { 1433}
   (( segid "PAH2" and resid 38   and name HA  ))
   (( segid "PAH2" and resid 39   and name HG3 ))
 ASSI { 1446}
   (( segid "PAH2" and resid 39   and name HA  ))
   (  segid "MAD1" and resid 206  and name HD2%)
      3.600     1.700     1.700 peak  1446 weight  0.10000E+01 volume  0.41019E-03 ppm1      3.900 ppm2      0.590 CV     1
 OR { 1446}
   (( segid "PAH2" and resid 39   and name HA  ))
   (  segid "PAH2" and resid 35   and name HD2%)
 ASSI { 1467}
   (( segid "PAH2" and resid 41   and name HA  ))
   (( segid "PAH2" and resid 53   and name HN  ))
      4.400     2.400     1.600 peak  1467 weight  0.10000E+01 volume  0.14144E-03 ppm1      4.226 ppm2      8.324 CV     1
 OR { 1467}
   (( segid "PAH2" and resid 41   and name HA  ))
   (( segid "PAH2" and resid 39   and name HN  ))
 OR { 1467}
   (( segid "PAH2" and resid 41   and name HA  ))
   (( segid "PAH2" and resid 46   and name HN  ))
 ASSI { 1657}
   (( segid "PAH2" and resid 51   and name HG3 ))
   (( segid "PAH2" and resid 51   and name HB2 ))
      1.800     0.400     0.400 peak  1657 weight  0.10000E+01 volume  0.32480E-01 ppm1      1.554 ppm2      1.799 CV     1
 OR { 1657}
   (( segid "PAH2" and resid 48   and name HG3 ))
   (( segid "PAH2" and resid 48   and name HB3 ))
 ASSI { 1679}
   (( segid "PAH2" and resid 53   and name HB2 ))
   (( segid "PAH2" and resid 57   and name HG2 ))
      3.200     1.300     1.300 peak  1679 weight  0.10000E+01 volume  0.83261E-03 ppm1      2.033 ppm2      2.382 CV     1
 OR { 1679}
   (( segid "PAH2" and resid 53   and name HB2 ))
   (( segid "PAH2" and resid 57   and name HG3 ))
 OR { 1679}
   (( segid "PAH2" and resid 53   and name HB2 ))
   (( segid "PAH2" and resid 56   and name HG2 ))
 ASSI { 1691}
   (  segid "PAH2" and resid 53   and name HE% )
   (  segid "PAH2" and resid 35   and name HD2%)
      3.500     1.600     1.600 peak  1691 weight  0.10000E+01 volume  0.48976E-03 ppm1      2.068 ppm2      0.547 CV     1
 OR { 1691}
   (  segid "PAH2" and resid 53   and name HE% )
   (  segid "PAH2" and resid 62   and name HG2%)
 OR { 1691}
   (  segid "PAH2" and resid 53   and name HE% )
   (  segid "MAD1" and resid 202  and name HD1%)
 ASSI { 1716}
   (( segid "PAH2" and resid 55   and name HA  ))
   (( segid "PAH2" and resid 58   and name HB  ))
      2.100     0.600     0.600 peak  1716 weight  0.10000E+01 volume  0.98677E-02 ppm1      3.843 ppm2      2.134 CV     1
 OR { 1716}
   (( segid "PAH2" and resid 55   and name HA  ))
   (( segid "PAH2" and resid 55   and name HB2 ))
 ASSI { 1725}
   (( segid "PAH2" and resid 21   and name HB3 ))
   (  segid "PAH2" and resid 27   and name HD1%)
      3.400     1.400     1.400 peak  1725 weight  0.10000E+01 volume  0.65039E-03 ppm1      2.427 ppm2      0.691 CV     1
 OR { 1725}
   (( segid "PAH2" and resid 21   and name HB3 ))
   (( segid "PAH2" and resid 18   and name HG3 ))
 ASSI { 1730}
   (( segid "PAH2" and resid 56   and name HA  ))
   (( segid "PAH2" and resid 59   and name HN  ))
      3.500     1.500     1.500 peak  1730 weight  0.10000E+01 volume  0.54447E-03 ppm1      4.040 ppm2      8.369 CV     1
 OR { 1730}
   (( segid "PAH2" and resid 56   and name HA  ))
   (( segid "PAH2" and resid 60   and name HN  ))
 ASSI { 1736}
   (( segid "PAH2" and resid 58   and name HA  ))
   (  segid "PAH2" and resid 62   and name HG2%)
      3.400     1.500     1.500 peak  1736 weight  0.10000E+01 volume  0.57374E-03 ppm1      3.583 ppm2      0.572 CV     1
 OR { 1736}
   (( segid "PAH2" and resid 58   and name HA  ))
   (  segid "PAH2" and resid 35   and name HD2%)
 ASSI { 1738}
   (( segid "PAH2" and resid 58   and name HA  ))
   (( segid "PAH2" and resid 59   and name HN  ))
      2.900     1.100     1.100 peak  1738 weight  0.10000E+01 volume  0.15999E-02 ppm1      3.583 ppm2      8.369 CV     1
 OR { 1738}
   (( segid "PAH2" and resid 58   and name HA  ))
   (( segid "PAH2" and resid 62   and name HN  ))
 ASSI { 1744}
   (  segid "PAH2" and resid 58   and name HG1%)
   (  segid "PAH2" and resid 35   and name HD2%)
      2.000     0.500     0.500 peak  1744 weight  0.10000E+01 volume  0.16311E-01 ppm1      0.791 ppm2      0.572 CV     1
 OR { 1744}
   (  segid "PAH2" and resid 58   and name HG1%)
   (  segid "PAH2" and resid 62   and name HG2%)
 ASSI { 1752}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1752 weight  0.10000E+01 volume  0.11125E-02 ppm1      0.791 ppm2      7.328 CV     1
 OR { 1752}
   (  segid "PAH2" and resid 58   and name HG1%)
   (  segid "PAH2" and resid 76   and name HD% )
 ASSI { 1774}
   (( segid "PAH2" and resid 59   and name HA  ))
   (( segid "PAH2" and resid 59   and name HN  ))
      2.300     0.700     0.700 peak  1774 weight  0.10000E+01 volume  0.59924E-02 ppm1      3.986 ppm2      8.369 CV     1
 OR { 1774}
   (( segid "PAH2" and resid 59   and name HA  ))
   (( segid "PAH2" and resid 60   and name HN  ))
 ASSI { 1781}
   (( segid "PAH2" and resid 59   and name HB3 ))
   (( segid "PAH2" and resid 59   and name HA  ))
      2.300     0.700     0.700 peak  1781 weight  0.10000E+01 volume  0.60741E-02 ppm1      3.303 ppm2      4.006 CV     1
 OR { 1781}
   (( segid "PAH2" and resid 59   and name HB3 ))
   (( segid "PAH2" and resid 56   and name HA  ))
 OR { 1781}
   (( segid "PAH2" and resid 7    and name HB3 ))
   (( segid "PAH2" and resid 4    and name HB3 ))
 ASSI { 1782}
   (( segid "PAH2" and resid 7    and name HB3 ))
   (( segid "PAH2" and resid 8    and name HN  ))
      2.300     0.700     0.700 peak  1782 weight  0.10000E+01 volume  0.61558E-02 ppm1      3.303 ppm2      8.369 CV     1
 OR { 1782}
   (( segid "PAH2" and resid 59   and name HB3 ))
   (( segid "PAH2" and resid 59   and name HN  ))
 OR { 1782}
   (( segid "PAH2" and resid 59   and name HB3 ))
   (( segid "PAH2" and resid 60   and name HN  ))
 ASSI { 1784}
   (( segid "PAH2" and resid 60   and name HA  ))
   (  segid "PAH2" and resid 60   and name HG2%)
      1.900     0.400     0.400 peak  1784 weight  0.10000E+01 volume  0.21227E-01 ppm1      3.778 ppm2      1.230 CV     1
 OR { 1784}
   (( segid "PAH2" and resid 60   and name HA  ))
   (  segid "PAH2" and resid 63   and name HB% )
 ASSI { 1796}
   (  segid "PAH2" and resid 37   and name HG2%)
   (( segid "PAH2" and resid 57   and name HG2 ))
      2.700     0.900     0.900 peak  1796 weight  0.10000E+01 volume  0.27693E-02 ppm1      1.247 ppm2      2.365 CV     1
 OR { 1796}
   (  segid "PAH2" and resid 37   and name HG2%)
   (( segid "PAH2" and resid 57   and name HG3 ))
 OR { 1796}
   (  segid "PAH2" and resid 60   and name HG2%)
   (( segid "PAH2" and resid 57   and name HG3 ))
 ASSI { 1798}
   (  segid "PAH2" and resid 60   and name HG2%)
   (( segid "PAH2" and resid 61   and name HA  ))
      2.600     0.800     0.800 peak  1798 weight  0.10000E+01 volume  0.33070E-02 ppm1      1.247 ppm2      4.082 CV     1
 OR { 1798}
   (  segid "PAH2" and resid 37   and name HG2%)
   (( segid "PAH2" and resid 38   and name HA  ))
 OR { 1798}
   (  segid "PAH2" and resid 60   and name HG2%)
   (( segid "PAH2" and resid 57   and name HA  ))
 ASSI { 1805}
   (( segid "PAH2" and resid 62   and name HA  ))
   (  segid "PAH2" and resid 65   and name HD1%)
      2.800     0.900     0.900 peak  1805 weight  0.10000E+01 volume  0.21931E-02 ppm1      2.977 ppm2      0.786 CV     1
 OR { 1805}
   (( segid "PAH2" and resid 62   and name HA  ))
   (  segid "PAH2" and resid 34   and name HG2%)
 ASSI { 1808}
   (( segid "PAH2" and resid 62   and name HA  ))
   (( segid "PAH2" and resid 61   and name HA  ))
      3.300     1.300     1.300 peak  1808 weight  0.10000E+01 volume  0.77649E-03 ppm1      2.977 ppm2      4.095 CV     1
 OR { 1808}
   (( segid "PAH2" and resid 62   and name HA  ))
   (( segid "PAH2" and resid 65   and name HA  ))
 ASSI { 1834}
   (  segid "PAH2" and resid 62   and name HG2%)
   (  segid "PAH2" and resid 76   and name HD% )
      3.100     1.200     1.200 peak  1834 weight  0.10000E+01 volume  0.99885E-03 ppm1      0.553 ppm2      7.348 CV     1
 OR { 1834}
   (  segid "PAH2" and resid 62   and name HG2%)
   (( segid "PAH2" and resid 35   and name HN  ))
 ASSI { 1835}
   (  segid "PAH2" and resid 62   and name HG2%)
   (( segid "PAH2" and resid 61   and name HN  ))
      3.800     1.800     1.800 peak  1835 weight  0.10000E+01 volume  0.31066E-03 ppm1      0.552 ppm2      8.001 CV     1
 OR { 1835}
   (  segid "PAH2" and resid 62   and name HG2%)
   (( segid "PAH2" and resid 34   and name HN  ))
 ASSI { 1847}
   (  segid "PAH2" and resid 63   and name HB% )
   (( segid "PAH2" and resid 63   and name HA  ))
      1.900     0.400     0.400 peak  1847 weight  0.10000E+01 volume  0.21973E-01 ppm1      1.178 ppm2      3.774 CV     1
 OR { 1847}
   (  segid "PAH2" and resid 63   and name HB% )
   (( segid "PAH2" and resid 60   and name HA  ))
 ASSI { 1852}
   (  segid "PAH2" and resid 63   and name HB% )
   (( segid "PAH2" and resid 62   and name HN  ))
      3.200     1.300     1.300 peak  1852 weight  0.10000E+01 volume  0.81840E-03 ppm1      1.178 ppm2      8.349 CV     1
 OR { 1852}
   (  segid "PAH2" and resid 63   and name HB% )
   (( segid "PAH2" and resid 60   and name HN  ))
 ASSI { 1858}
   (( segid "PAH2" and resid 64   and name HA  ))
   (( segid "PAH2" and resid 64   and name HN  ))
      2.200     0.600     0.600 peak  1858 weight  0.10000E+01 volume  0.76157E-02 ppm1      4.443 ppm2      7.564 CV     1
 OR { 1858}
   (( segid "PAH2" and resid 64   and name HA  ))
   (( segid "PAH2" and resid 65   and name HN  ))
 ASSI { 1879}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak  1879 weight  0.10000E+01 volume  0.45950E-02 ppm1      0.774 ppm2      3.021 CV     1
 OR { 1879}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 62   and name HA  ))
 ASSI { 1880}
   (( segid "PAH2" and resid 65   and name HG  ))
   (  segid "PAH2" and resid 27   and name HG2%)
      3.000     1.200     1.200 peak  1880 weight  0.10000E+01 volume  0.12035E-02 ppm1      1.589 ppm2     -0.004 CV     1
 OR { 1880}
   (( segid "PAH2" and resid 72   and name HG  ))
   (  segid "PAH2" and resid 17   and name HD1%)
 ASSI { 1883}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 31   and name HA  ))
      2.200     0.600     0.600 peak  1883 weight  0.10000E+01 volume  0.74950E-02 ppm1      0.774 ppm2      3.897 CV     1
 OR { 1883}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 30   and name HB3 ))
 OR { 1883}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 30   and name HB2 ))
 OR { 1883}
   (  segid "PAH2" and resid 65   and name HD2%)
   (( segid "PAH2" and resid 30   and name HB3 ))
 ASSI { 1887}
   (  segid "PAH2" and resid 65   and name HD2%)
   (  segid "PAH2" and resid 21   and name HD% )
      3.400     1.400     1.400 peak  1887 weight  0.10000E+01 volume  0.65749E-03 ppm1      0.774 ppm2      7.317 CV     1
 OR { 1887}
   (  segid "PAH2" and resid 65   and name HD1%)
   (( segid "PAH2" and resid 35   and name HN  ))
 OR { 1887}
   (  segid "PAH2" and resid 65   and name HD1%)
   (  segid "PAH2" and resid 21   and name HD% )
 ASSI { 1895}
   (  segid "PAH2" and resid 73   and name HD2%)
   (( segid "PAH2" and resid 77   and name HA2 ))
      4.200     2.200     1.800 peak  1895 weight  0.10000E+01 volume  0.18790E-03 ppm1      0.829 ppm2      3.514 CV     1
 OR { 1895}
   (  segid "PAH2" and resid 73   and name HD2%)
   (( segid "PAH2" and resid 31   and name HB3 ))
 ASSI { 1956}
   (( segid "PAH2" and resid 70   and name HB3 ))
   (( segid "PAH2" and resid 70   and name HA  ))
      1.900     0.400     0.400 peak  1956 weight  0.10000E+01 volume  0.23160E-01 ppm1      2.139 ppm2      3.937 CV     1
 OR { 1956}
   (( segid "PAH2" and resid 39   and name HB2 ))
   (( segid "PAH2" and resid 39   and name HA  ))
 OR { 1956}
   (( segid "PAH2" and resid 39   and name HB3 ))
   (( segid "PAH2" and resid 39   and name HA  ))
 ASSI { 1958}
   (( segid "PAH2" and resid 57   and name HG2 ))
   (( segid "PAH2" and resid 54   and name HN  ))
      3.000     1.100     1.100 peak  1958 weight  0.10000E+01 volume  0.13854E-02 ppm1      2.387 ppm2      8.991 CV     1
 OR { 1958}
   (( segid "PAH2" and resid 70   and name HG2 ))
   (( segid "PAH2" and resid 71   and name HN  ))
 OR { 1958}
   (( segid "PAH2" and resid 57   and name HG3 ))
   (( segid "PAH2" and resid 54   and name HN  ))
 ASSI { 1975}
   (( segid "PAH2" and resid 72   and name HA  ))
   (( segid "PAH2" and resid 75   and name HN  ))
      2.600     0.800     0.800 peak  1975 weight  0.10000E+01 volume  0.30712E-02 ppm1      4.307 ppm2      7.970 CV     1
 OR { 1975}
   (( segid "PAH2" and resid 8    and name HA  ))
   (( segid "PAH2" and resid 12   and name HN  ))
 ASSI { 1994}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 72   and name HG  ))
      2.000     0.500     0.500 peak  1994 weight  0.10000E+01 volume  0.17412E-01 ppm1      0.493 ppm2      1.601 CV     1
 OR { 1994}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 16   and name HD3 ))
 OR { 1994}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 72   and name HB2 ))
 ASSI { 2003}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 73   and name HN  ))
      2.900     1.100     1.100 peak  2003 weight  0.10000E+01 volume  0.14613E-02 ppm1      0.493 ppm2      7.946 CV     1
 OR { 2003}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 75   and name HN  ))
 OR { 2003}
   (  segid "PAH2" and resid 72   and name HD2%)
   (( segid "PAH2" and resid 16   and name HN  ))
 ASSI { 2005}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 20   and name HG2 ))
      2.600     0.800     0.800 peak  2005 weight  0.10000E+01 volume  0.31898E-02 ppm1      0.182 ppm2      0.875 CV     1
 OR { 2005}
   (  segid "PAH2" and resid 72   and name HD1%)
   (  segid "PAH2" and resid 73   and name HD2%)
 ASSI { 2017}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 20   and name HN  ))
      3.800     1.800     1.800 peak  2017 weight  0.10000E+01 volume  0.33631E-03 ppm1      0.182 ppm2      7.958 CV     1
 OR { 2017}
   (  segid "PAH2" and resid 72   and name HD1%)
   (( segid "PAH2" and resid 16   and name HN  ))
 ASSI { 2071}
   (( segid "PAH2" and resid 76   and name HA  ))
   (  segid "PAH2" and resid 13   and name HE% )
      3.100     1.200     1.200 peak  2071 weight  0.10000E+01 volume  0.11481E-02 ppm1      4.353 ppm2      6.875 CV     1
 OR { 2071}
   (( segid "PAH2" and resid 76   and name HA  ))
   (( segid "PAH2" and resid 80   and name HN  ))
 ASSI { 2151}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 59   and name HN  ))
      3.900     1.900     1.900 peak  2151 weight  0.10000E+01 volume  0.28196E-03 ppm1      0.678 ppm2      8.363 CV     1
 OR { 2151}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 60   and name HN  ))
 ASSI { 2157}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 77   and name HA1 ))
      3.400     1.500     1.500 peak  2157 weight  0.10000E+01 volume  0.58262E-03 ppm1      0.688 ppm2      3.834 CV     1
 OR { 2157}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 55   and name HA  ))
 ASSI { 2352}
   (( segid "PAH2" and resid 17   and name HA  ))
   (  segid "PAH2" and resid 28   and name HD% )
      4.700     2.800     1.300 peak  2352 weight  0.10000E+01 volume  0.88518E-04 ppm1      3.136 ppm2      7.059 CV     1
 OR { 2352}
   (( segid "PAH2" and resid 17   and name HA  ))
   (  segid "PAH2" and resid 13   and name HD% )
 ASSI { 2438}
   (( segid "PAH2" and resid 32   and name HA  ))
   (  segid "PAH2" and resid 34   and name HD1%)
      3.600     1.700     1.700 peak  2438 weight  0.10000E+01 volume  0.41304E-03 ppm1      3.455 ppm2      0.756 CV     1
 OR { 2438}
   (( segid "PAH2" and resid 32   and name HA  ))
   (  segid "PAH2" and resid 34   and name HG2%)
 OR { 2438}
   (( segid "PAH2" and resid 32   and name HA  ))
   (  segid "PAH2" and resid 65   and name HD1%)
 OR { 2438}
   (( segid "PAH2" and resid 32   and name HA  ))
   (  segid "PAH2" and resid 17   and name HG2%)
 ASSI { 2457}
   (( segid "PAH2" and resid 39   and name HG2 ))
   (( segid "PAH2" and resid 40   and name HN  ))
      3.400     1.500     1.500 peak  2457 weight  0.10000E+01 volume  0.59149E-03 ppm1      2.354 ppm2      8.173 CV     1
 OR { 2457}
   (( segid "PAH2" and resid 39   and name HG3 ))
   (( segid "PAH2" and resid 40   and name HN  ))
 OR { 2457}
   (( segid "PAH2" and resid 39   and name HG2 ))
   (( segid "PAH2" and resid 38   and name HN  ))
 ASSI { 2514}
   (( segid "PAH2" and resid 57   and name HG3 ))
   (  segid "PAH2" and resid 58   and name HG2%)
      3.400     1.500     1.500 peak  2514 weight  0.10000E+01 volume  0.59419E-03 ppm1      2.387 ppm2      0.816 CV     1
 OR { 2514}
   (( segid "PAH2" and resid 70   and name HG2 ))
   (  segid "PAH2" and resid 73   and name HD2%)
 OR { 2514}
   (( segid "PAH2" and resid 57   and name HG2 ))
   (  segid "PAH2" and resid 58   and name HG2%)
 OR { 2514}
   (( segid "PAH2" and resid 57   and name HG3 ))
   (  segid "PAH2" and resid 34   and name HG2%)
 OR { 2514}
   (( segid "PAH2" and resid 70   and name HG2 ))
   (  segid "PAH2" and resid 73   and name HD1%)
 ASSI { 2526}
   (( segid "PAH2" and resid 72   and name HG  ))
   (( segid "PAH2" and resid 74   and name HN  ))
      4.400     2.500     1.600 peak  2526 weight  0.10000E+01 volume  0.12497E-03 ppm1      1.560 ppm2      8.294 CV     1
 OR { 2526}
   (( segid "PAH2" and resid 65   and name HG  ))
   (( segid "PAH2" and resid 62   and name HN  ))
 OR { 2526}
   (( segid "PAH2" and resid 65   and name HG  ))
   (( segid "PAH2" and resid 30   and name HN  ))
 ASSI { 2531}
   (  segid "PAH2" and resid 62   and name HG2%)
   (  segid "PAH2" and resid 34   and name HG2%)
      1.800     0.400     0.400 peak  2531 weight  0.10000E+01 volume  0.28750E-01 ppm1      0.553 ppm2      0.793 CV     1
 OR { 2531}
   (  segid "PAH2" and resid 62   and name HG2%)
   (  segid "PAH2" and resid 58   and name HG1%)
 ASSI { 2538}
   (( segid "PAH2" and resid 74   and name HB3 ))
   (( segid "PAH2" and resid 75   and name HG2 ))
      2.700     0.900     0.900 peak  2538 weight  0.10000E+01 volume  0.23558E-02 ppm1      4.071 ppm2      2.077 CV     1
 OR { 2538}
   (( segid "PAH2" and resid 74   and name HB2 ))
   (( segid "PAH2" and resid 70   and name HB3 ))
 OR { 2538}
   (( segid "PAH2" and resid 74   and name HB2 ))
   (( segid "PAH2" and resid 73   and name HB3 ))
 OR { 2538}
   (( segid "PAH2" and resid 74   and name HB2 ))
   (( segid "PAH2" and resid 75   and name HG2 ))
 OR { 2538}
   (( segid "PAH2" and resid 74   and name HB2 ))
   (( segid "PAH2" and resid 70   and name HB2 ))
 OR { 2538}
   (( segid "PAH2" and resid 74   and name HB3 ))
   (( segid "PAH2" and resid 73   and name HB3 ))
 ASSI { 2539}
   (( segid "PAH2" and resid 74   and name HB2 ))
   (( segid "PAH2" and resid 73   and name HB2 ))
      3.200     1.300     1.300 peak  2539 weight  0.10000E+01 volume  0.90082E-03 ppm1      4.072 ppm2      1.873 CV     1
 OR { 2539}
   (( segid "PAH2" and resid 74   and name HB3 ))
   (( segid "PAH2" and resid 73   and name HB2 ))
 OR { 2539}
   (( segid "PAH2" and resid 74   and name HB3 ))
   (( segid "PAH2" and resid 75   and name HB3 ))
 ASSI { 2549}
   (( segid "PAH2" and resid 75   and name HG2 ))
   (( segid "PAH2" and resid 78   and name HE22))
      3.600     1.600     1.600 peak  2549 weight  0.10000E+01 volume  0.44934E-03 ppm1      2.031 ppm2      6.968 CV     1
 OR { 2549}
   (( segid "PAH2" and resid 75   and name HG2 ))
   (  segid "PAH2" and resid 13   and name HD% )
 ASSI { 2557}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "PAH2" and resid 79   and name HN  ))
      4.300     2.300     1.700 peak  2557 weight  0.10000E+01 volume  0.15203E-03 ppm1      0.677 ppm2      7.667 CV     1
 OR { 2557}
   (  segid "PAH2" and resid 80   and name HD2%)
   (( segid "MAD1" and resid 201  and name HD22))
 ASSI { 2558}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 79   and name HN  ))
      5.900     4.400     0.100 peak  2558 weight  0.10000E+01 volume  0.22378E-04 ppm1      0.688 ppm2      7.677 CV     1
 OR { 2558}
   (  segid "PAH2" and resid 80   and name HD1%)
   (( segid "PAH2" and resid 76   and name HN  ))
 ASSI { 2608}
   (( segid "PAH2" and resid 73   and name HB2 ))
   (  segid "PAH2" and resid 73   and name HD2%)
      2.100     0.600     0.600 peak  2608 weight  0.10000E+01 volume  0.10060E-01 ppm1      1.832 ppm2      0.870 CV     1
 OR { 2608}
   (( segid "PAH2" and resid 22   and name HB2 ))
   (  segid "PAH2" and resid 22   and name HD1%)
 OR { 2608}
   (( segid "PAH2" and resid 22   and name HB2 ))
   (  segid "PAH2" and resid 22   and name HD2%)
 ASSI { 2612}
   (( segid "PAH2" and resid 71   and name HB3 ))
   (( segid "PAH2" and resid 71   and name HA  ))
      1.800     0.400     0.400 peak  2612 weight  0.10000E+01 volume  0.24453E-01 ppm1      2.815 ppm2      4.440 CV     1
 OR { 2612}
   (( segid "PAH2" and resid 64   and name HB3 ))
   (( segid "PAH2" and resid 64   and name HA  ))
 ASSI { 2658}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 8    and name HB2 ))
      3.900     1.900     1.900 peak  2658 weight  0.10000E+01 volume  0.25817E-03 ppm1      0.374 ppm2      2.792 CV     1
 OR { 2658}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 15   and name HB2 ))
 OR { 2658}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 15   and name HB3 ))
 ASSI { 2659}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 8    and name HB3 ))
      4.200     2.200     1.800 peak  2659 weight  0.10000E+01 volume  0.18720E-03 ppm1      0.374 ppm2      2.932 CV     1
 OR { 2659}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "MAD1" and resid 210  and name HB3 ))
 ASSI { 2666}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 13   and name HA  ))
      4.000     2.000     2.000 peak  2666 weight  0.10000E+01 volume  0.25205E-03 ppm1      1.246 ppm2      4.412 CV     1
 OR { 2666}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 15   and name HA  ))
 ASSI { 2670}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak  2670 weight  0.10000E+01 volume  0.19956E-03 ppm1      1.246 ppm2      7.674 CV     1
 OR { 2670}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "MAD1" and resid 205  and name HN  ))
 OR { 2670}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "MAD1" and resid 213  and name HN  ))
 ASSI { 2671}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 12   and name HN  ))
      3.900     1.900     1.900 peak  2671 weight  0.10000E+01 volume  0.26243E-03 ppm1      1.246 ppm2      7.994 CV     1
 OR { 2671}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 16   and name HN  ))
 ASSI { 2672}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "PAH2" and resid 13   and name HN  ))
      3.200     1.300     1.300 peak  2672 weight  0.10000E+01 volume  0.86955E-03 ppm1      1.246 ppm2      8.173 CV     1
 OR { 2672}
   (  segid "PAH2" and resid 14   and name HG2%)
   (( segid "MAD1" and resid 212  and name HN  ))
 ASSI { 2675}
   (  segid "PAH2" and resid 14   and name HG2%)
   (  segid "PAH2" and resid 11   and name HD1%)
      4.400     2.400     1.600 peak  2675 weight  0.10000E+01 volume  0.13825E-03 ppm1      1.246 ppm2      0.422 CV     1
 OR { 2675}
   (  segid "PAH2" and resid 14   and name HG2%)
   (  segid "PAH2" and resid 35   and name HD1%)
 ASSI { 2696}
   (( segid "PAH2" and resid 14   and name HB  ))
   (  segid "PAH2" and resid 17   and name HG2%)
      4.300     2.300     1.700 peak  2696 weight  0.10000E+01 volume  0.15032E-03 ppm1      2.061 ppm2      0.772 CV     1
 OR { 2696}
   (( segid "PAH2" and resid 14   and name HB  ))
   (( segid "PAH2" and resid 18   and name HG3 ))
 ASSI { 2697}
   (( segid "PAH2" and resid 14   and name HB  ))
   (  segid "PAH2" and resid 28   and name HE% )
      3.700     1.700     1.700 peak  2697 weight  0.10000E+01 volume  0.37446E-03 ppm1      2.065 ppm2      6.788 CV     1
 OR { 2697}
   (( segid "PAH2" and resid 14   and name HB  ))
   (( segid "PAH2" and resid 15   and name HD22))
 ASSI { 2698}
   (( segid "PAH2" and resid 14   and name HB  ))
   (  segid "PAH2" and resid 13   and name HD% )
      4.800     2.800     1.200 peak  2698 weight  0.10000E+01 volume  0.83474E-04 ppm1      2.063 ppm2      7.014 CV     1
 OR { 2698}
   (( segid "PAH2" and resid 14   and name HB  ))
   (  segid "PAH2" and resid 28   and name HD% )
 ASSI { 2699}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 14   and name HN  ))
      4.900     3.000     1.100 peak  2699 weight  0.10000E+01 volume  0.70687E-04 ppm1      0.017 ppm2      8.629 CV     1
 OR { 2699}
   (  segid "PAH2" and resid 17   and name HD1%)
   (( segid "PAH2" and resid 15   and name HN  ))
 ASSI { 2704}
   (( segid "PAH2" and resid 6    and name HG3 ))
   (( segid "PAH2" and resid 5    and name HN  ))
      3.000     1.100     1.100 peak  2704 weight  0.10000E+01 volume  0.13839E-02 ppm1      2.371 ppm2      8.407 CV     1
 OR { 2704}
   (( segid "PAH2" and resid 6    and name HG2 ))
   (( segid "PAH2" and resid 5    and name HN  ))
 OR { 2704}
   (( segid "PAH2" and resid 56   and name HG3 ))
   (( segid "PAH2" and resid 59   and name HN  ))
 OR { 2704}
   (( segid "PAH2" and resid 6    and name HG2 ))
   (( segid "PAH2" and resid 9    and name HN  ))
 OR { 2704}
   (( segid "PAH2" and resid 56   and name HG2 ))
   (( segid "PAH2" and resid 59   and name HN  ))
 ASSI { 2706}
   (( segid "PAH2" and resid 64   and name HB2 ))
   (( segid "PAH2" and resid 64   and name HN  ))
      2.000     0.500     0.500 peak  2706 weight  0.10000E+01 volume  0.16240E-01 ppm1      2.793 ppm2      7.554 CV     1
 OR { 2706}
   (( segid "PAH2" and resid 64   and name HB2 ))
   (( segid "PAH2" and resid 65   and name HN  ))
 ASSI { 2711}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "PAH2" and resid 14   and name HN  ))
      3.400     1.500     1.500 peak  2711 weight  0.10000E+01 volume  0.57189E-03 ppm1      1.442 ppm2      8.576 CV     1
 OR { 2711}
   (  segid "PAH2" and resid 10   and name HB% )
   (( segid "PAH2" and resid 7    and name HN  ))
 ASSI { 2714}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "MAD1" and resid 209  and name HN  ))
      3.600     1.600     1.600 peak  2714 weight  0.10000E+01 volume  0.44586E-03 ppm1      0.374 ppm2      8.406 CV     1
 OR { 2714}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 8    and name HN  ))
 OR { 2714}
   (  segid "PAH2" and resid 11   and name HD1%)
   (( segid "PAH2" and resid 9    and name HN  ))
 ASSI { 2721}
   (( segid "PAH2" and resid 16   and name HG3 ))
   (( segid "PAH2" and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  2721 weight  0.10000E+01 volume  0.42675E-03 ppm1      1.533 ppm2      7.970 CV     1
 OR { 2721}
   (( segid "PAH2" and resid 16   and name HG3 ))
   (( segid "PAH2" and resid 20   and name HN  ))
 ASSI { 2745}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 31   and name HB3 ))
      3.500     1.500     1.500 peak  2745 weight  0.10000E+01 volume  0.53565E-03 ppm1      0.704 ppm2      3.526 CV     1
 OR { 2745}
   (  segid "PAH2" and resid 34   and name HD1%)
   (( segid "PAH2" and resid 58   and name HA  ))
 ASSI { 2748}
   (  segid "PAH2" and resid 37   and name HG2%)
   (( segid "PAH2" and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak  2748 weight  0.10000E+01 volume  0.13882E-02 ppm1      1.277 ppm2      1.930 CV     1
 OR { 2748}
   (  segid "PAH2" and resid 37   and name HG2%)
   (( segid "PAH2" and resid 53   and name HB3 ))
 ASSI { 2754}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 59   and name HB3 ))
      3.800     1.800     1.800 peak  2754 weight  0.10000E+01 volume  0.32139E-03 ppm1      0.791 ppm2      3.244 CV     1
 OR { 2754}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 76   and name HB3 ))
 OR { 2754}
   (  segid "PAH2" and resid 58   and name HG1%)
   (( segid "PAH2" and resid 36   and name HB3 ))
 ASSI { 2756}
   (  segid "PAH2" and resid 22   and name HD1%)
   (( segid "PAH2" and resid 19   and name HA  ))
      2.200     0.600     0.600 peak  2756 weight  0.10000E+01 volume  0.92710E-02 ppm1      0.901 ppm2      3.761 CV     1
 OR { 2756}
   (( segid "PAH2" and resid 20   and name HG2 ))
   (( segid "PAH2" and resid 20   and name HA  ))
 ASSI {  310}
   (( segid "PAH2" and resid 66   and name HZ  ))
   (  segid "PAH2" and resid 62   and name HG2%)
      3.800     1.800     1.800 peak   310 weight  0.10000E+01 volume  0.35533E-03 ppm1      6.005 ppm2      0.574 CV     1
 OR {  310}
   (( segid "PAH2" and resid 66   and name HZ  ))
   (  segid "PAH2" and resid 32   and name HD2%)
 ASSI {  328}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 32   and name HG  ))
      4.300     2.300     1.700 peak   328 weight  0.10000E+01 volume  0.16852E-03 ppm1      7.095 ppm2      1.433 CV     1
 OR {  328}
   (( segid "PAH2" and resid 36   and name HD2 ))
   (( segid "PAH2" and resid 40   and name HG3 ))
 ASSI {  342}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 75   and name HN  ))
      3.700     1.700     1.700 peak   342 weight  0.10000E+01 volume  0.39060E-03 ppm1      7.007 ppm2      7.974 CV     1
 OR {  342}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 16   and name HN  ))
 ASSI {  346}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 10   and name HA  ))
      3.500     1.500     1.500 peak   346 weight  0.10000E+01 volume  0.60745E-03 ppm1      7.007 ppm2      4.115 CV     1
 OR {  346}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 76   and name HB2 ))
 OR {  346}
   (  segid "PAH2" and resid 13   and name HD% )
   (( segid "PAH2" and resid 75   and name HA  ))
 ASSI {  364}
   (  segid "PAH2" and resid 13   and name HE% )
   (( segid "PAH2" and resid 76   and name HB2 ))
      3.300     1.300     1.300 peak   364 weight  0.10000E+01 volume  0.89484E-03 ppm1      6.825 ppm2      4.108 CV     1
 OR {  364}
   (  segid "PAH2" and resid 13   and name HE% )
   (( segid "PAH2" and resid 75   and name HA  ))
 ASSI {  368}
   (  segid "PAH2" and resid 13   and name HE% )
   (( segid "PAH2" and resid 72   and name HB2 ))
      3.300     1.400     1.400 peak   368 weight  0.10000E+01 volume  0.79948E-03 ppm1      6.825 ppm2      1.056 CV     1
 OR {  368}
   (  segid "PAH2" and resid 13   and name HE% )
   (( segid "PAH2" and resid 17   and name HG12))
 ASSI {  374}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 31   and name HN  ))
      4.300     2.300     1.700 peak   374 weight  0.10000E+01 volume  0.16591E-03 ppm1      7.048 ppm2      8.140 CV     1
 OR {  374}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 19   and name HN  ))
 ASSI {  380}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 21   and name HB2 ))
      3.100     3.100     2.900 peak   380 weight  0.10000E+01 volume  0.11561E-02 ppm1      7.048 ppm2      2.486 CV     1
 OR {  380}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 25   and name HB3 ))
 ASSI {  383}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 32   and name HG  ))
      3.500     1.500     1.500 peak   383 weight  0.10000E+01 volume  0.61398E-03 ppm1      7.048 ppm2      1.440 CV     1
 OR {  383}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 18   and name HD2 ))
 ASSI {  384}
   (  segid "PAH2" and resid 28   and name HD% )
   (  segid "PAH2" and resid 14   and name HG1%)
      3.000     1.100     1.100 peak   384 weight  0.10000E+01 volume  0.15049E-02 ppm1      7.048 ppm2      1.196 CV     1
 OR {  384}
   (  segid "PAH2" and resid 28   and name HD% )
   (( segid "PAH2" and resid 18   and name HB3 ))
 ASSI {  387}
   (  segid "PAH2" and resid 28   and name HD% )
   (  segid "PAH2" and resid 17   and name HD1%)
      3.400     1.500     1.500 peak   387 weight  0.10000E+01 volume  0.65187E-03 ppm1      7.048 ppm2      0.030 CV     1
 OR {  387}
   (  segid "PAH2" and resid 28   and name HD% )
   (  segid "PAH2" and resid 27   and name HG2%)
 ASSI {  389}
   (  segid "PAH2" and resid 28   and name HE% )
   (( segid "PAH2" and resid 18   and name HA  ))
      3.600     1.600     1.600 peak   389 weight  0.10000E+01 volume  0.49379E-03 ppm1      6.753 ppm2      3.140 CV     1
 OR {  389}
   (  segid "PAH2" and resid 28   and name HE% )
   (( segid "PAH2" and resid 28   and name HB3 ))
 OR {  389}
   (  segid "PAH2" and resid 28   and name HE% )
   (( segid "PAH2" and resid 28   and name HB2 ))
 ASSI {  392}
   (  segid "PAH2" and resid 28   and name HE% )
   (( segid "PAH2" and resid 32   and name HG  ))
      2.800     2.800     3.200 peak   392 weight  0.10000E+01 volume  0.20261E-02 ppm1      6.751 ppm2      1.392 CV     1
 OR {  392}
   (  segid "PAH2" and resid 28   and name HE% )
   (( segid "PAH2" and resid 18   and name HD3 ))
 OR {  392}
   (  segid "PAH2" and resid 28   and name HE% )
   (( segid "PAH2" and resid 18   and name HD2 ))
 ASSI {  404}
   (  segid "PAH2" and resid 38   and name HD% )
   (  segid "PAH2" and resid 53   and name HE% )
      2.100     2.100     3.900 peak   404 weight  0.10000E+01 volume  0.11265E-01 ppm1      6.968 ppm2      2.087 CV     1
 OR {  404}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "MAD1" and resid 202  and name HB  ))
 OR {  404}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 39   and name HB3 ))
 OR {  404}
   (  segid "PAH2" and resid 38   and name HD% )
   (( segid "PAH2" and resid 53   and name HB2 ))
 ASSI {  411}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 55   and name HG3 ))
      3.100     1.200     1.200 peak   411 weight  0.10000E+01 volume  0.12646E-02 ppm1      6.742 ppm2      2.399 CV     1
 OR {  411}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 55   and name HG2 ))
 OR {  411}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 39   and name HG3 ))
 ASSI {  412}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "MAD1" and resid 202  and name HB  ))
      2.500     2.500     3.500 peak   412 weight  0.10000E+01 volume  0.44141E-02 ppm1      6.742 ppm2      2.112 CV     1
 OR {  412}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 42   and name HB2 ))
 ASSI {  413}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 53   and name HB3 ))
      3.100     3.100     2.900 peak   413 weight  0.10000E+01 volume  0.12397E-02 ppm1      6.742 ppm2      1.980 CV     1
 OR {  413}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 55   and name HB2 ))
 OR {  413}
   (  segid "PAH2" and resid 38   and name HE% )
   (( segid "PAH2" and resid 53   and name HB2 ))
 ASSI {  418}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "PAH2" and resid 11   and name HN  ))
      4.100     2.100     1.900 peak   418 weight  0.10000E+01 volume  0.22600E-03 ppm1      7.220 ppm2      8.262 CV     1
 OR {  418}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "MAD1" and resid 204  and name HN  ))
 ASSI {  422}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "MAD1" and resid 204  and name HA  ))
      3.500     1.500     1.500 peak   422 weight  0.10000E+01 volume  0.56172E-03 ppm1      7.219 ppm2      4.352 CV     1
 OR {  422}
   (  segid "PAH2" and resid 7    and name HD% )
   (( segid "PAH2" and resid 8    and name HA  ))
 ASSI {  434}
   (  segid "PAH2" and resid 21   and name HD% )
   (( segid "PAH2" and resid 18   and name HA  ))
      2.500     2.500     3.500 peak   434 weight  0.10000E+01 volume  0.42208E-02 ppm1      7.303 ppm2      3.070 CV     1
 OR {  434}
   (  segid "PAH2" and resid 21   and name HD% )
   (( segid "PAH2" and resid 20   and name HD2 ))
 OR {  434}
   (  segid "PAH2" and resid 21   and name HD% )
   (( segid "PAH2" and resid 20   and name HD3 ))
 ASSI {  437}
   (  segid "PAH2" and resid 21   and name HD% )
   (  segid "PAH2" and resid 17   and name HG2%)
      2.200     2.200     3.800 peak   437 weight  0.10000E+01 volume  0.89053E-02 ppm1      7.303 ppm2      0.800 CV     1
 OR {  437}
   (  segid "PAH2" and resid 21   and name HD% )
   (  segid "PAH2" and resid 27   and name HD1%)
 ASSI {  455}
   (  segid "PAH2" and resid 31   and name HD% )
   (  segid "PAH2" and resid 17   and name HG2%)
      2.600     0.900     0.900 peak   455 weight  0.10000E+01 volume  0.30895E-02 ppm1      6.838 ppm2      0.788 CV     1
 OR {  455}
   (  segid "PAH2" and resid 31   and name HD% )
   (  segid "PAH2" and resid 65   and name HD1%)
 ASSI {  465}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 21   and name HE% )
      2.600     2.600     3.400 peak   465 weight  0.10000E+01 volume  0.36486E-02 ppm1      6.682 ppm2      6.845 CV     1
 OR {  465}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 13   and name HE% )
 OR {  465}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 31   and name HD% )
 ASSI {  467}
   (  segid "PAH2" and resid 66   and name HE% )
   (( segid "PAH2" and resid 27   and name HB  ))
      5.400     3.600     0.600 peak   467 weight  0.10000E+01 volume  0.43109E-04 ppm1      6.682 ppm2      1.559 CV     1
 OR {  467}
   (  segid "PAH2" and resid 66   and name HE% )
   (( segid "PAH2" and resid 72   and name HG  ))
 OR {  467}
   (  segid "PAH2" and resid 66   and name HE% )
   (( segid "PAH2" and resid 65   and name HG  ))
 OR {  467}
   (  segid "PAH2" and resid 66   and name HE% )
   (( segid "PAH2" and resid 27   and name HG13))
 ASSI {  468}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 17   and name HG2%)
      2.700     0.900     0.900 peak   468 weight  0.10000E+01 volume  0.27381E-02 ppm1      6.682 ppm2      0.815 CV     1
 OR {  468}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 65   and name HD1%)
 OR {  468}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 65   and name HD2%)
 ASSI {  469}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 27   and name HG2%)
      3.000     1.100     1.100 peak   469 weight  0.10000E+01 volume  0.14422E-02 ppm1      6.682 ppm2     -0.004 CV     1
 OR {  469}
   (  segid "PAH2" and resid 66   and name HE% )
   (  segid "PAH2" and resid 17   and name HD1%)
 ASSI {  471}
   (  segid "PAH2" and resid 66   and name HD% )
   (  segid "PAH2" and resid 21   and name HE% )
      3.000     1.100     1.100 peak   471 weight  0.10000E+01 volume  0.15924E-02 ppm1      6.603 ppm2      6.845 CV     1
 OR {  471}
   (  segid "PAH2" and resid 66   and name HD% )
   (  segid "PAH2" and resid 13   and name HE% )
 ASSI {  494}
   (  segid "PAH2" and resid 76   and name HE% )
   (( segid "PAH2" and resid 76   and name HA  ))
      4.400     2.500     1.600 peak   494 weight  0.10000E+01 volume  0.13716E-03 ppm1      7.090 ppm2      4.379 CV     1
 OR {  494}
   (  segid "PAH2" and resid 76   and name HE% )
   (( segid "PAH2" and resid 73   and name HA  ))
 ASSI {   18}
   (( segid "MAD1" and resid 206  and name HA  ))
   (( segid "MAD1" and resid 207  and name HN  ))
      2.500     0.800     0.800 peak    18 weight  0.10000E+01 volume  0.40395E-02 ppm1      3.969 ppm2      8.462 CV     1
 OR {   18}
   (( segid "MAD1" and resid 206  and name HA  ))
   (( segid "MAD1" and resid 209  and name HN  ))
 OR {   18}
   (( segid "MAD1" and resid 203  and name HA  ))
   (( segid "MAD1" and resid 207  and name HN  ))
 ASSI {   32}
   (( segid "MAD1" and resid 203  and name HB3 ))
   (( segid "MAD1" and resid 203  and name HN  ))
      2.400     0.700     0.700 peak    32 weight  0.10000E+01 volume  0.57339E-02 ppm1      2.088 ppm2      8.415 CV     1
 OR {   32}
   (( segid "MAD1" and resid 203  and name HB2 ))
   (( segid "MAD1" and resid 203  and name HN  ))
 OR {   32}
   (( segid "MAD1" and resid 202  and name HB  ))
   (( segid "MAD1" and resid 203  and name HN  ))
 ASSI {   63}
   (( segid "MAD1" and resid 206  and name HA  ))
   (( segid "MAD1" and resid 206  and name HN  ))
      2.500     0.800     0.800 peak    63 weight  0.10000E+01 volume  0.43518E-02 ppm1      3.969 ppm2      7.775 CV     1
 OR {   63}
   (( segid "MAD1" and resid 205  and name HA  ))
   (( segid "MAD1" and resid 206  and name HN  ))
 ASSI {  127}
   (( segid "MAD1" and resid 207  and name HN  ))
   (( segid "MAD1" and resid 208  and name HN  ))
      2.400     0.700     0.700 peak   127 weight  0.10000E+01 volume  0.48765E-02 ppm1      8.460 ppm2      8.839 CV     1
 OR {  127}
   (( segid "MAD1" and resid 209  and name HN  ))
   (( segid "MAD1" and resid 208  and name HN  ))
 ASSI { 3353}
   (( segid "MAD1" and resid 201  and name HA  ))
   (( segid "MAD1" and resid 203  and name HB3 ))
      4.200     2.200     1.800 peak  3353 weight  0.10000E+01 volume  0.18358E-03 ppm1      5.288 ppm2      2.094 CV     1
 OR { 3353}
   (( segid "MAD1" and resid 201  and name HA  ))
   (( segid "MAD1" and resid 202  and name HB  ))
 ASSI { 4159}
   (( segid "MAD1" and resid 203  and name HA  ))
   (( segid "MAD1" and resid 207  and name HB2 ))
      2.600     2.600     3.400 peak  4159 weight  0.10000E+01 volume  0.30794E-02 ppm1      3.963 ppm2      2.417 CV     1
 OR { 4159}
   (( segid "MAD1" and resid 205  and name HA  ))
   (( segid "MAD1" and resid 207  and name HB3 ))
 OR { 4159}
   (( segid "MAD1" and resid 203  and name HA  ))
   (( segid "MAD1" and resid 207  and name HB3 ))
 OR { 4159}
   (( segid "MAD1" and resid 206  and name HA  ))
   (( segid "MAD1" and resid 207  and name HB3 ))
assign (resid  4 and name C ) (resid  5 and name N ) 
       (resid  5 and name CA ) (resid 5 and name C )  1 -64 8  2 

assign (resid  5 and name C ) (resid  6 and name N ) 
       (resid  6 and name CA ) (resid 6 and name C )  1 -51.5 9.5  2 

assign (resid  6 and name C ) (resid  7 and name N ) 
       (resid  7 and name CA ) (resid 7 and name C )  1 -60 8  2 

assign (resid  7 and name C ) (resid  8 and name N ) 
       (resid  8 and name CA ) (resid 8 and name C )  1 -57 8  2 

assign (resid  9 and name C ) (resid  10 and name N ) 
       (resid  10 and name CA ) (resid 10 and name C )  1 -64.5 7.5  2 

assign (resid  11 and name C ) (resid  12 and name N ) 
       (resid  12 and name CA ) (resid 12 and name C )  1 -50 10  2 

assign (resid  12 and name C ) (resid  13 and name N ) 
       (resid  13 and name CA ) (resid 13 and name C )  1 -63 8  2 

assign (resid  13 and name C ) (resid  14 and name N ) 
       (resid  14 and name CA ) (resid 14 and name C )  1 -60 8  2 

assign (resid  14 and name C ) (resid  15 and name N ) 
       (resid  15 and name CA ) (resid 15 and name C )  1 -59 8  2 

assign (resid  15 and name C ) (resid  16 and name N ) 
       (resid  16 and name CA ) (resid 16 and name C )  1 -62 8  2 

assign (resid  20 and name C ) (resid  21 and name N ) 
       (resid  21 and name CA ) (resid 21 and name C )  1 -102 14  2 

assign (resid  22 and name C ) (resid  23 and name N ) 
       (resid  23 and name CA ) (resid 23 and name C )  1 -84 8  2 

assign (resid  26 and name C ) (resid  27 and name N ) 
       (resid  27 and name CA ) (resid 27 and name C )  1 -72.5 7.5  2 

assign (resid  28 and name C ) (resid  29 and name N ) 
       (resid  29 and name CA ) (resid 29 and name C )  1 -54 9  2 

assign (resid  32 and name C ) (resid  33 and name N ) 
       (resid  33 and name CA ) (resid 33 and name C )  1 -61.5 7.5  2 

assign (resid  34 and name C ) (resid  35 and name N ) 
       (resid  35 and name CA ) (resid 35 and name C )  1 -57.5 8.5  2 

assign (resid  35 and name C ) (resid  36 and name N ) 
       (resid  36 and name CA ) (resid 36 and name C )  1 -52.5 9.5  2 

assign (resid  40 and name C ) (resid  41 and name N ) 
       (resid  41 and name CA ) (resid 41 and name C )  1 -72.5 7.5  2 

assign (resid  55 and name C ) (resid  56 and name N ) 
       (resid  56 and name CA ) (resid 56 and name C )  1 -53 9  2 

assign (resid  57 and name C ) (resid  58 and name N ) 
       (resid  58 and name CA ) (resid 58 and name C )  1 -61.5 7.5  2 

assign (resid  60 and name C ) (resid  61 and name N ) 
       (resid  61 and name CA ) (resid 61 and name C )  1 -64.5 7.5  2 

assign (resid  61 and name C ) (resid  62 and name N ) 
       (resid  62 and name CA ) (resid 62 and name C )  1 -72.5 7.5  2 

assign (resid  63 and name C ) (resid  64 and name N ) 
       (resid  64 and name CA ) (resid 64 and name C )  1 -66.5 7.5  2 

assign (resid  70 and name C ) (resid  71 and name N ) 
       (resid  71 and name CA ) (resid 71 and name C )  1 -69.5 7.5  2 

assign (resid  71 and name C ) (resid  72 and name N ) 
       (resid  72 and name CA ) (resid 72 and name C )  1 -64.5 7.5  2 

assign (resid  75 and name C ) (resid  76 and name N ) 
       (resid  76 and name CA ) (resid 76 and name C )  1 -46 11  2 

assi ( resid  10 and name N ) ( resid   5:  7 and name O ) 3.2 1.0 0.0 
assi ( resid  10 and name HN ) ( resid   5:  7 and name O ) 2.2 1.0 0.0 
assi ( resid  11 and name N ) ( resid   6:  8 and name O ) 3.2 1.0 0.0 
assi ( resid  11 and name HN ) ( resid   6:  8 and name O ) 2.2 1.0 0.0 
assi ( resid  12 and name N ) ( resid   7:  9 and name O ) 3.2 1.0 0.0 
assi ( resid  12 and name HN ) ( resid   7:  9 and name O ) 2.2 1.0 0.0 
assi ( resid  13 and name N ) ( resid   8: 10 and name O ) 3.2 1.0 0.0 
assi ( resid  13 and name HN ) ( resid   8: 10 and name O ) 2.2 1.0 0.0 
assi ( resid  14 and name N ) ( resid   9: 11 and name O ) 3.2 1.0 0.0 
assi ( resid  14 and name HN ) ( resid   9: 11 and name O ) 2.2 1.0 0.0 
assi ( resid  15 and name N ) ( resid  10: 12 and name O ) 3.2 1.0 0.0 
assi ( resid  15 and name HN ) ( resid  10: 12 and name O ) 2.2 1.0 0.0 
assi ( resid  16 and name N ) ( resid  11: 13 and name O ) 3.2 1.0 0.0 
assi ( resid  16 and name HN ) ( resid  11: 13 and name O ) 2.2 1.0 0.0 
assi ( resid  17 and name N ) ( resid  12: 14 and name O ) 3.2 1.0 0.0 
assi ( resid  17 and name HN ) ( resid  12: 14 and name O ) 2.2 1.0 0.0 
assi ( resid  18 and name N ) ( resid  13: 15 and name O ) 3.2 1.0 0.0 
assi ( resid  18 and name HN ) ( resid  13: 15 and name O ) 2.2 1.0 0.0 
assi ( resid  31 and name N ) ( resid  26: 28 and name O ) 3.2 1.0 0.0 
assi ( resid  31 and name HN ) ( resid  26: 28 and name O ) 2.2 1.0 0.0 
assi ( resid  32 and name N ) ( resid  27: 29 and name O ) 3.2 1.0 0.0 
assi ( resid  32 and name HN ) ( resid  27: 29 and name O ) 2.2 1.0 0.0 
assi ( resid  33 and name N ) ( resid  28: 30 and name O ) 3.2 1.0 0.0 
assi ( resid  33 and name HN ) ( resid  28: 30 and name O ) 2.2 1.0 0.0 
assi ( resid  34 and name N ) ( resid  29: 31 and name O ) 3.2 1.0 0.0 
assi ( resid  34 and name HN ) ( resid  29: 31 and name O ) 2.2 1.0 0.0 
assi ( resid  35 and name N ) ( resid  30: 32 and name O ) 3.2 1.0 0.0 
assi ( resid  35 and name HN ) ( resid  30: 32 and name O ) 2.2 1.0 0.0 
assi ( resid  36 and name N ) ( resid  31: 33 and name O ) 3.2 1.0 0.0 
assi ( resid  36 and name HN ) ( resid  31: 33 and name O ) 2.2 1.0 0.0 
assi ( resid  37 and name N ) ( resid  32: 34 and name O ) 3.2 1.0 0.0 
assi ( resid  37 and name HN ) ( resid  32: 34 and name O ) 2.2 1.0 0.0 
assi ( resid  38 and name N ) ( resid  33: 35 and name O ) 3.2 1.0 0.0 
assi ( resid  38 and name HN ) ( resid  33: 35 and name O ) 2.2 1.0 0.0 
assi ( resid  39 and name N ) ( resid  34: 36 and name O ) 3.2 1.0 0.0 
assi ( resid  39 and name HN ) ( resid  34: 36 and name O ) 2.2 1.0 0.0 
assi ( resid  40 and name N ) ( resid  35: 37 and name O ) 3.2 1.0 0.0 
assi ( resid  40 and name HN ) ( resid  35: 37 and name O ) 2.2 1.0 0.0 
assi ( resid  60 and name N ) ( resid  55: 57 and name O ) 3.2 1.0 0.0 
assi ( resid  60 and name HN ) ( resid  55: 57 and name O ) 2.2 1.0 0.0 
assi ( resid  61 and name N ) ( resid  56: 58 and name O ) 3.2 1.0 0.0 
assi ( resid  61 and name HN ) ( resid  56: 58 and name O ) 2.2 1.0 0.0 
assi ( resid  62 and name N ) ( resid  57: 59 and name O ) 3.2 1.0 0.0 
assi ( resid  62 and name HN ) ( resid  57: 59 and name O ) 2.2 1.0 0.0 
assi ( resid  63 and name N ) ( resid  58: 60 and name O ) 3.2 1.0 0.0 
assi ( resid  63 and name HN ) ( resid  58: 60 and name O ) 2.2 1.0 0.0 
assi ( resid  64 and name N ) ( resid  59: 61 and name O ) 3.2 1.0 0.0 
assi ( resid  64 and name HN ) ( resid  59: 61 and name O ) 2.2 1.0 0.0 
assi ( resid  75 and name N ) ( resid  70: 72 and name O ) 3.2 1.0 0.0 
assi ( resid  75 and name HN ) ( resid  70: 72 and name O ) 2.2 1.0 0.0 
assi ( resid  76 and name N ) ( resid  71: 73 and name O ) 3.2 1.0 0.0 
assi ( resid  76 and name HN ) ( resid  71: 73 and name O ) 2.2 1.0 0.0 
assi ( resid  77 and name N ) ( resid  72: 74 and name O ) 3.2 1.0 0.0 
assi ( resid  77 and name HN ) ( resid  72: 74 and name O ) 2.2 1.0 0.0 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H1       GLU   1  -0.814  20.239  -7.832
    2    H2   GLU   1           H2       GLU   1   0.100  19.164  -8.764
    3    H3   GLU   1           H3       GLU   1  -1.396  19.716  -9.331
    4    HA   GLU   1           HA       GLU   1  -2.340  17.940  -8.459
    5   1HB   GLU   1          1HB       GLU   1   0.294  17.519  -7.029
    6   2HB   GLU   1          2HB       GLU   1  -0.998  16.331  -7.134
    7   1HG   GLU   1          1HG       GLU   1  -0.748  16.274  -9.563
    8   2HG   GLU   1          2HG       GLU   1   0.553  17.460  -9.454
    9    H    SER   2           H        SER   2  -2.902  20.346  -7.282
   10    HA   SER   2           HA       SER   2  -2.625  20.486  -4.504
   11   1HB   SER   2          1HB       SER   2  -3.364  22.400  -5.835
   12   2HB   SER   2          2HB       SER   2  -4.858  21.558  -6.248
   13    HG   SER   2           HG       SER   2  -4.045  22.638  -3.780
   14    H    ASP   3           H        ASP   3  -5.026  18.870  -6.510
   15    HA   ASP   3           HA       ASP   3  -5.691  17.038  -4.442
   16   1HB   ASP   3          1HB       ASP   3  -8.107  17.674  -4.263
   17   2HB   ASP   3          2HB       ASP   3  -7.004  18.842  -3.543
   18    H    SER   4           H        SER   4  -4.747  16.617  -6.942
   19    HA   SER   4           HA       SER   4  -6.529  16.254  -9.020
   20   1HB   SER   4          1HB       SER   4  -4.247  15.971  -9.523
   21   2HB   SER   4          2HB       SER   4  -4.029  14.754  -8.268
   22    HG   SER   4           HG       SER   4  -5.828  14.313 -10.384
   23    H    VAL   5           H        VAL   5  -7.378  14.315  -9.902
   24    HA   VAL   5           HA       VAL   5  -9.192  13.009  -8.260
   25    HB   VAL   5           HB       VAL   5  -8.011  12.160 -10.906
   26   1HG1  VAL   5          1HG1      VAL   5  -9.071  10.301  -9.529
   27   2HG1  VAL   5          2HG1      VAL   5 -10.598  11.160  -9.730
   28   3HG1  VAL   5          3HG1      VAL   5  -9.734  10.556 -11.144
   29   1HG2  VAL   5          1HG2      VAL   5 -10.038  14.084 -10.105
   30   2HG2  VAL   5          2HG2      VAL   5  -9.192  13.901 -11.642
   31   3HG2  VAL   5          3HG2      VAL   5 -10.625  12.930 -11.303
   32    H    GLU   6           H        GLU   6  -5.912  12.217  -9.167
   33    HA   GLU   6           HA       GLU   6  -5.782   9.554  -8.337
   34   1HB   GLU   6          1HB       GLU   6  -3.596  11.635  -8.219
   35   2HB   GLU   6          2HB       GLU   6  -3.368   9.893  -8.178
   36   1HG   GLU   6          1HG       GLU   6  -4.277   9.710 -10.430
   37   2HG   GLU   6          2HG       GLU   6  -4.526  11.455 -10.475
   38    H    PHE   7           H        PHE   7  -5.440  12.553  -6.511
   39    HA   PHE   7           HA       PHE   7  -4.489  11.475  -4.106
   40   1HB   PHE   7          1HB       PHE   7  -4.525  13.893  -4.574
   41   2HB   PHE   7          2HB       PHE   7  -6.283  13.882  -4.521
   42    HD1  PHE   7           HD1      PHE   7  -3.908  12.170  -2.231
   43    HD2  PHE   7           HD2      PHE   7  -6.771  15.282  -2.729
   44    HE1  PHE   7           HE1      PHE   7  -3.838  12.618   0.188
   45    HE2  PHE   7           HE2      PHE   7  -6.706  15.733  -0.310
   46    HZ   PHE   7           HZ       PHE   7  -5.238  14.399   1.151
   47    H    ASN   8           H        ASN   8  -7.847  12.356  -4.947
   48    HA   ASN   8           HA       ASN   8  -8.993  11.098  -2.685
   49   1HB   ASN   8          1HB       ASN   8 -10.239  11.776  -5.365
   50   2HB   ASN   8          2HB       ASN   8 -11.136  11.320  -3.920
   51   2HD2  ASN   8          2HD2      ASN   8 -10.251  13.856  -5.737
   52   1HD2  ASN   8          1HD2      ASN   8 -10.277  15.110  -4.550
   53    H    ASN   9           H        ASN   9  -7.983  10.037  -5.792
   54    HA   ASN   9           HA       ASN   9  -9.374   7.623  -6.063
   55   1HB   ASN   9          1HB       ASN   9  -7.948   8.804  -7.788
   56   2HB   ASN   9          2HB       ASN   9  -6.538   8.186  -6.952
   57   2HD2  ASN   9          2HD2      ASN   9  -7.935   7.799  -9.613
   58   1HD2  ASN   9          1HD2      ASN   9  -7.880   6.097  -9.819
   59    H    ALA  10           H        ALA  10  -6.343   8.455  -4.476
   60    HA   ALA  10           HA       ALA  10  -5.684   5.808  -3.660
   61   1HB   ALA  10          1HB       ALA  10  -4.152   7.139  -2.046
   62   2HB   ALA  10          2HB       ALA  10  -3.846   7.214  -3.781
   63   3HB   ALA  10          3HB       ALA  10  -4.681   8.544  -2.976
   64    H    ILE  11           H        ILE  11  -7.163   8.606  -2.039
   65    HA   ILE  11           HA       ILE  11  -7.391   7.562   0.524
   66    HB   ILE  11           HB       ILE  11  -9.444   9.314  -0.833
   67   1HG1  ILE  11          1HG1      ILE  11  -7.209  10.287  -1.067
   68   2HG1  ILE  11          2HG1      ILE  11  -8.175  11.218   0.068
   69   1HG2  ILE  11          1HG2      ILE  11  -9.047   8.336   1.889
   70   2HG2  ILE  11          2HG2      ILE  11  -9.279  10.082   1.776
   71   3HG2  ILE  11          3HG2      ILE  11 -10.491   8.987   1.112
   72   1HD1  ILE  11          1HD1      ILE  11  -6.533   9.122   1.290
   73   2HD1  ILE  11          2HD1      ILE  11  -5.631  10.414   0.499
   74   3HD1  ILE  11          3HD1      ILE  11  -6.789  10.799   1.771
   75    H    SER  12           H        SER  12  -9.555   7.231  -2.248
   76    HA   SER  12           HA       SER  12 -11.640   5.861  -1.001
   77   1HB   SER  12          1HB       SER  12 -10.666   5.600  -3.857
   78   2HB   SER  12          2HB       SER  12 -12.238   5.068  -3.260
   79    HG   SER  12           HG       SER  12 -12.181   7.195  -4.277
   80    H    TYR  13           H        TYR  13  -8.581   4.704  -2.316
   81    HA   TYR  13           HA       TYR  13  -9.160   1.948  -2.230
   82   1HB   TYR  13          1HB       TYR  13  -7.224   2.902  -3.443
   83   2HB   TYR  13          2HB       TYR  13  -6.477   3.313  -1.905
   84    HD1  TYR  13           HD1      TYR  13  -8.245   0.193  -2.940
   85    HD2  TYR  13           HD2      TYR  13  -4.572   1.987  -1.759
   86    HE1  TYR  13           HE1      TYR  13  -7.196  -2.029  -2.848
   87    HE2  TYR  13           HE2      TYR  13  -3.514  -0.231  -1.666
   88    HH   TYR  13           HH       TYR  13  -4.709  -2.820  -1.284
   89    H    VAL  14           H        VAL  14  -7.398   4.005   0.071
   90    HA   VAL  14           HA       VAL  14  -7.001   2.046   2.037
   91    HB   VAL  14           HB       VAL  14  -7.300   5.016   2.492
   92   1HG1  VAL  14          1HG1      VAL  14  -7.167   3.213   4.413
   93   2HG1  VAL  14          2HG1      VAL  14  -5.446   3.271   4.032
   94   3HG1  VAL  14          3HG1      VAL  14  -6.289   4.739   4.525
   95   1HG2  VAL  14          1HG2      VAL  14  -5.677   4.237   0.656
   96   2HG2  VAL  14          2HG2      VAL  14  -5.059   5.319   1.906
   97   3HG2  VAL  14          3HG2      VAL  14  -4.707   3.593   1.982
   98    H    ASN  15           H        ASN  15  -9.603   4.396   1.594
   99    HA   ASN  15           HA       ASN  15 -11.004   3.979   3.968
  100   1HB   ASN  15          1HB       ASN  15 -11.431   5.770   2.287
  101   2HB   ASN  15          2HB       ASN  15 -12.203   4.585   1.271
  102   2HD2  ASN  15          2HD2      ASN  15 -12.958   7.018   3.034
  103   1HD2  ASN  15          1HD2      ASN  15 -14.431   6.486   3.743
  104    H    LYS  16           H        LYS  16 -11.645   2.609   0.776
  105    HA   LYS  16           HA       LYS  16 -13.680   0.860   1.462
  106   1HB   LYS  16          1HB       LYS  16 -12.963   1.360  -0.867
  107   2HB   LYS  16          2HB       LYS  16 -11.530   0.371  -0.615
  108   1HG   LYS  16          1HG       LYS  16 -12.986  -1.582  -0.221
  109   2HG   LYS  16          2HG       LYS  16 -14.386  -0.572  -0.575
  110   1HD   LYS  16          1HD       LYS  16 -12.120  -0.983  -2.498
  111   2HD   LYS  16          2HD       LYS  16 -13.573  -1.985  -2.474
  112   1HE   LYS  16          1HE       LYS  16 -13.997  -0.357  -4.085
  113   2HE   LYS  16          2HE       LYS  16 -14.876   0.188  -2.668
  114   1HZ   LYS  16          1HZ       LYS  16 -12.147   1.168  -3.035
  115   2HZ   LYS  16          2HZ       LYS  16 -13.346   1.802  -4.045
  116   3HZ   LYS  16          3HZ       LYS  16 -13.494   1.945  -2.367
  117    H    ILE  17           H        ILE  17 -10.183   0.385   1.639
  118    HA   ILE  17           HA       ILE  17 -10.213  -2.345   2.313
  119    HB   ILE  17           HB       ILE  17  -8.212  -0.183   2.973
  120   1HG1  ILE  17          1HG1      ILE  17  -8.181  -2.397   0.911
  121   2HG1  ILE  17          2HG1      ILE  17  -8.540  -0.707   0.578
  122   1HG2  ILE  17          1HG2      ILE  17  -8.324  -2.373   4.442
  123   2HG2  ILE  17          2HG2      ILE  17  -7.476  -3.061   3.056
  124   3HG2  ILE  17          3HG2      ILE  17  -6.784  -1.689   3.922
  125   1HD1  ILE  17          1HD1      ILE  17  -6.030  -0.934   1.947
  126   2HD1  ILE  17          2HD1      ILE  17  -6.056  -1.969   0.518
  127   3HD1  ILE  17          3HD1      ILE  17  -6.390  -0.244   0.363
  128    H    LYS  18           H        LYS  18 -10.394   0.581   4.281
  129    HA   LYS  18           HA       LYS  18 -10.274  -0.673   6.811
  130   1HB   LYS  18          1HB       LYS  18  -9.941   1.756   6.419
  131   2HB   LYS  18          2HB       LYS  18 -11.648   1.911   6.051
  132   1HG   LYS  18          1HG       LYS  18 -12.175   1.122   8.334
  133   2HG   LYS  18          2HG       LYS  18 -10.448   1.106   8.691
  134   1HD   LYS  18          1HD       LYS  18 -12.037   3.529   7.844
  135   2HD   LYS  18          2HD       LYS  18 -11.554   3.153   9.499
  136   1HE   LYS  18          1HE       LYS  18  -9.204   3.284   8.847
  137   2HE   LYS  18          2HE       LYS  18  -9.676   3.633   7.185
  138   1HZ   LYS  18          1HZ       LYS  18 -10.717   5.368   9.300
  139   2HZ   LYS  18          2HZ       LYS  18  -9.089   5.537   8.875
  140   3HZ   LYS  18          3HZ       LYS  18 -10.295   5.744   7.706
  141    H    THR  19           H        THR  19 -13.028   0.591   4.982
  142    HA   THR  19           HA       THR  19 -15.043  -0.325   6.695
  143    HB   THR  19           HB       THR  19 -15.396   1.375   4.909
  144    HG1  THR  19           HG1      THR  19 -17.442   0.856   5.067
  145   1HG2  THR  19          1HG2      THR  19 -14.154   0.106   3.138
  146   2HG2  THR  19          2HG2      THR  19 -15.551  -0.964   3.017
  147   3HG2  THR  19          3HG2      THR  19 -15.715   0.749   2.631
  148    H    ARG  20           H        ARG  20 -13.292  -1.934   4.149
  149    HA   ARG  20           HA       ARG  20 -15.046  -4.114   3.783
  150   1HB   ARG  20          1HB       ARG  20 -13.364  -3.648   2.129
  151   2HB   ARG  20          2HB       ARG  20 -12.075  -3.832   3.315
  152   1HG   ARG  20          1HG       ARG  20 -12.286  -5.760   1.793
  153   2HG   ARG  20          2HG       ARG  20 -12.505  -6.192   3.490
  154   1HD   ARG  20          1HD       ARG  20 -14.928  -6.145   3.185
  155   2HD   ARG  20          2HD       ARG  20 -14.709  -5.722   1.488
  156    HE   ARG  20           HE       ARG  20 -14.447  -7.941   1.072
  157   1HH1  ARG  20          1HH1      ARG  20 -13.499  -7.353   4.377
  158   2HH1  ARG  20          2HH1      ARG  20 -13.164  -9.019   4.710
  159   1HH2  ARG  20          1HH2      ARG  20 -14.013 -10.134   1.508
  160   2HH2  ARG  20          2HH2      ARG  20 -13.454 -10.597   3.081
  161    H    PHE  21           H        PHE  21 -12.003  -3.910   5.615
  162    HA   PHE  21           HA       PHE  21 -12.670  -6.381   6.998
  163   1HB   PHE  21          1HB       PHE  21 -10.178  -4.684   7.184
  164   2HB   PHE  21          2HB       PHE  21 -10.396  -6.288   7.868
  165    HD1  PHE  21           HD1      PHE  21 -10.145  -4.403   4.706
  166    HD2  PHE  21           HD2      PHE  21 -10.064  -8.223   6.572
  167    HE1  PHE  21           HE1      PHE  21  -9.292  -5.397   2.624
  168    HE2  PHE  21           HE2      PHE  21  -9.199  -9.224   4.503
  169    HZ   PHE  21           HZ       PHE  21  -8.815  -7.810   2.520
  170    H    LEU  22           H        LEU  22 -14.357  -4.208   7.690
  171    HA   LEU  22           HA       LEU  22 -13.584  -2.770   9.945
  172   1HB   LEU  22          1HB       LEU  22 -16.267  -3.818   9.081
  173   2HB   LEU  22          2HB       LEU  22 -16.072  -2.860  10.536
  174    HG   LEU  22           HG       LEU  22 -15.372  -1.943   7.745
  175   1HD1  LEU  22          1HD1      LEU  22 -17.806  -2.221   8.182
  176   2HD1  LEU  22          2HD1      LEU  22 -17.651  -1.074   9.513
  177   3HD1  LEU  22          3HD1      LEU  22 -17.320  -0.557   7.860
  178   1HD2  LEU  22          1HD2      LEU  22 -14.023  -1.000   9.661
  179   2HD2  LEU  22          2HD2      LEU  22 -14.902   0.177   8.684
  180   3HD2  LEU  22          3HD2      LEU  22 -15.527  -0.302  10.262
  181    H    ASP  23           H        ASP  23 -14.683  -6.076   9.630
  182    HA   ASP  23           HA       ASP  23 -14.951  -6.545  12.438
  183   1HB   ASP  23          1HB       ASP  23 -16.219  -7.853  10.799
  184   2HB   ASP  23          2HB       ASP  23 -14.719  -8.504  10.148
  185    H    HIS  24           H        HIS  24 -12.457  -7.111  10.006
  186    HA   HIS  24           HA       HIS  24 -10.648  -8.127  12.064
  187   1HB   HIS  24          1HB       HIS  24 -10.494  -8.236   9.049
  188   2HB   HIS  24          2HB       HIS  24  -9.318  -8.920  10.150
  189    HD1  HIS  24           HD1      HIS  24 -10.653 -10.662  11.991
  190    HD2  HIS  24           HD2      HIS  24 -12.175 -10.135   8.160
  191    HE1  HIS  24           HE1      HIS  24 -12.129 -12.655  11.573
  192    HE2  HIS  24           HE2      HIS  24 -13.118 -12.261   9.290
  193    HA   PRO  25           HA       PRO  25  -9.278  -3.695  11.403
  194   1HB   PRO  25          1HB       PRO  25  -8.264  -3.488  13.930
  195   2HB   PRO  25          2HB       PRO  25  -9.916  -3.059  13.492
  196   1HG   PRO  25          1HG       PRO  25  -8.881  -5.588  14.720
  197   2HG   PRO  25          2HG       PRO  25 -10.336  -4.657  15.132
  198   1HD   PRO  25          1HD       PRO  25 -10.503  -6.874  13.648
  199   2HD   PRO  25          2HD       PRO  25 -11.519  -5.461  13.296
  200    H    GLU  26           H        GLU  26  -7.672  -6.454  12.906
  201    HA   GLU  26           HA       GLU  26  -5.051  -5.622  12.921
  202   1HB   GLU  26          1HB       GLU  26  -4.434  -7.998  12.754
  203   2HB   GLU  26          2HB       GLU  26  -5.750  -7.735  13.890
  204   1HG   GLU  26          1HG       GLU  26  -7.355  -8.485  12.213
  205   2HG   GLU  26          2HG       GLU  26  -6.041  -8.736  11.065
  206    H    ILE  27           H        ILE  27  -6.989  -6.596  10.184
  207    HA   ILE  27           HA       ILE  27  -4.926  -7.081   8.325
  208    HB   ILE  27           HB       ILE  27  -7.604  -5.890   7.629
  209   1HG1  ILE  27          1HG1      ILE  27  -7.806  -7.825   9.242
  210   2HG1  ILE  27          2HG1      ILE  27  -8.608  -8.050   7.697
  211   1HG2  ILE  27          1HG2      ILE  27  -5.403  -7.079   6.159
  212   2HG2  ILE  27          2HG2      ILE  27  -6.945  -7.862   5.809
  213   3HG2  ILE  27          3HG2      ILE  27  -6.768  -6.122   5.579
  214   1HD1  ILE  27          1HD1      ILE  27  -5.847  -9.080   7.985
  215   2HD1  ILE  27          2HD1      ILE  27  -7.155  -9.934   8.806
  216   3HD1  ILE  27          3HD1      ILE  27  -7.210  -9.711   7.055
  217    H    TYR  28           H        TYR  28  -6.777  -4.167   9.098
  218    HA   TYR  28           HA       TYR  28  -5.772  -2.432   7.191
  219   1HB   TYR  28          1HB       TYR  28  -7.671  -2.017   8.764
  220   2HB   TYR  28          2HB       TYR  28  -6.489  -1.722  10.029
  221    HD1  TYR  28           HD1      TYR  28  -7.223  -0.590   6.555
  222    HD2  TYR  28           HD2      TYR  28  -5.984   0.473  10.476
  223    HE1  TYR  28           HE1      TYR  28  -7.140   1.775   5.876
  224    HE2  TYR  28           HE2      TYR  28  -5.907   2.845   9.820
  225    HH   TYR  28           HH       TYR  28  -7.367   4.107   7.309
  226    H    ARG  29           H        ARG  29  -4.551  -3.081  10.455
  227    HA   ARG  29           HA       ARG  29  -2.424  -1.302  10.530
  228   1HB   ARG  29          1HB       ARG  29  -2.775  -4.042  11.742
  229   2HB   ARG  29          2HB       ARG  29  -1.396  -3.021  12.097
  230   1HG   ARG  29          1HG       ARG  29  -4.192  -2.040  12.514
  231   2HG   ARG  29          2HG       ARG  29  -3.376  -3.031  13.725
  232   1HD   ARG  29          1HD       ARG  29  -3.011  -0.778  14.347
  233   2HD   ARG  29          2HD       ARG  29  -1.496  -1.357  13.661
  234    HE   ARG  29           HE       ARG  29  -1.675   0.281  12.097
  235   1HH1  ARG  29          1HH1      ARG  29  -4.872  -0.431  13.294
  236   2HH1  ARG  29          2HH1      ARG  29  -5.636   0.810  12.359
  237   1HH2  ARG  29          1HH2      ARG  29  -2.675   1.920  10.872
  238   2HH2  ARG  29          2HH2      ARG  29  -4.389   2.144  10.981
  239    H    SER  30           H        SER  30  -2.388  -4.709   9.509
  240    HA   SER  30           HA       SER  30   0.287  -4.939   8.858
  241   1HB   SER  30          1HB       SER  30  -1.215  -6.862   8.958
  242   2HB   SER  30          2HB       SER  30  -2.068  -6.292   7.524
  243    HG   SER  30           HG       SER  30  -0.112  -7.920   7.491
  244    H    PHE  31           H        PHE  31  -2.360  -4.227   6.552
  245    HA   PHE  31           HA       PHE  31  -0.891  -3.874   4.263
  246   1HB   PHE  31          1HB       PHE  31  -3.296  -3.801   4.191
  247   2HB   PHE  31          2HB       PHE  31  -3.334  -2.365   5.209
  248    HD1  PHE  31           HD1      PHE  31  -1.768  -3.450   1.992
  249    HD2  PHE  31           HD2      PHE  31  -3.772  -0.385   4.164
  250    HE1  PHE  31           HE1      PHE  31  -1.740  -2.018  -0.010
  251    HE2  PHE  31           HE2      PHE  31  -3.752   1.050   2.165
  252    HZ   PHE  31           HZ       PHE  31  -2.735   0.234   0.075
  253    H    LEU  32           H        LEU  32  -1.683  -1.375   6.660
  254    HA   LEU  32           HA       LEU  32  -0.299   0.721   5.420
  255   1HB   LEU  32          1HB       LEU  32  -0.855   0.314   8.356
  256   2HB   LEU  32          2HB       LEU  32  -0.403   1.830   7.608
  257    HG   LEU  32           HG       LEU  32  -2.966   0.299   7.195
  258   1HD1  LEU  32          1HD1      LEU  32  -2.166   2.308   9.034
  259   2HD1  LEU  32          2HD1      LEU  32  -3.340   3.005   7.917
  260   3HD1  LEU  32          3HD1      LEU  32  -3.749   1.556   8.834
  261   1HD2  LEU  32          1HD2      LEU  32  -1.616   2.124   5.445
  262   2HD2  LEU  32          2HD2      LEU  32  -3.130   1.255   5.202
  263   3HD2  LEU  32          3HD2      LEU  32  -3.134   2.826   6.004
  264    H    GLU  33           H        GLU  33   0.735  -1.704   7.762
  265    HA   GLU  33           HA       GLU  33   3.299  -0.640   8.272
  266   1HB   GLU  33          1HB       GLU  33   2.272  -2.363   9.693
  267   2HB   GLU  33          2HB       GLU  33   2.357  -3.518   8.370
  268   1HG   GLU  33          1HG       GLU  33   4.797  -3.384   8.412
  269   2HG   GLU  33          2HG       GLU  33   4.706  -2.234   9.745
  270    H    ILE  34           H        ILE  34   2.002  -2.611   5.683
  271    HA   ILE  34           HA       ILE  34   4.433  -3.526   4.591
  272    HB   ILE  34           HB       ILE  34   1.799  -2.969   3.239
  273   1HG1  ILE  34          1HG1      ILE  34   3.023  -5.536   4.269
  274   2HG1  ILE  34          2HG1      ILE  34   1.750  -4.625   5.077
  275   1HG2  ILE  34          1HG2      ILE  34   3.972  -3.116   1.816
  276   2HG2  ILE  34          2HG2      ILE  34   3.877  -4.839   2.179
  277   3HG2  ILE  34          3HG2      ILE  34   2.550  -4.041   1.334
  278   1HD1  ILE  34          1HD1      ILE  34   1.352  -5.538   2.280
  279   2HD1  ILE  34          2HD1      ILE  34   1.171  -6.679   3.611
  280   3HD1  ILE  34          3HD1      ILE  34   0.165  -5.233   3.548
  281    H    LEU  35           H        LEU  35   2.321  -0.866   3.482
  282    HA   LEU  35           HA       LEU  35   4.103   0.247   1.639
  283   1HB   LEU  35          1HB       LEU  35   1.958   1.571   3.308
  284   2HB   LEU  35          2HB       LEU  35   2.798   2.363   1.985
  285    HG   LEU  35           HG       LEU  35   1.122  -0.131   1.671
  286   1HD1  LEU  35          1HD1      LEU  35   0.442   2.759   1.151
  287   2HD1  LEU  35          2HD1      LEU  35  -0.525   1.382   0.621
  288   3HD1  LEU  35          3HD1      LEU  35  -0.303   1.694   2.343
  289   1HD2  LEU  35          1HD2      LEU  35   3.074   0.856   0.020
  290   2HD2  LEU  35          2HD2      LEU  35   1.719  -0.153  -0.489
  291   3HD2  LEU  35          3HD2      LEU  35   1.613   1.603  -0.631
  292    H    HIS  36           H        HIS  36   3.717   0.713   5.084
  293    HA   HIS  36           HA       HIS  36   5.489   2.867   5.433
  294   1HB   HIS  36          1HB       HIS  36   3.957   1.070   7.079
  295   2HB   HIS  36          2HB       HIS  36   5.560   1.268   7.765
  296    HD1  HIS  36           HD1      HIS  36   6.203   4.115   7.547
  297    HD2  HIS  36           HD2      HIS  36   2.313   2.838   8.239
  298    HE1  HIS  36           HE1      HIS  36   5.024   6.083   8.575
  299    HE2  HIS  36           HE2      HIS  36   2.667   5.290   8.983
  300    H    THR  37           H        THR  37   5.982  -0.641   5.651
  301    HA   THR  37           HA       THR  37   8.614  -0.736   6.471
  302    HB   THR  37           HB       THR  37   7.267  -2.559   4.461
  303    HG1  THR  37           HG1      THR  37   7.589  -3.586   6.930
  304   1HG2  THR  37          1HG2      THR  37   9.956  -2.466   5.119
  305   2HG2  THR  37          2HG2      THR  37   9.311  -3.730   6.166
  306   3HG2  THR  37          3HG2      THR  37   9.102  -3.842   4.418
  307    H    TYR  38           H        TYR  38   7.283  -0.217   3.254
  308    HA   TYR  38           HA       TYR  38   9.544  -0.341   1.675
  309   1HB   TYR  38          1HB       TYR  38   7.374   0.017   0.701
  310   2HB   TYR  38          2HB       TYR  38   7.182   1.537   1.556
  311    HD1  TYR  38           HD1      TYR  38   9.477  -0.090  -0.899
  312    HD2  TYR  38           HD2      TYR  38   7.632   3.497   0.458
  313    HE1  TYR  38           HE1      TYR  38  10.475   1.132  -2.790
  314    HE2  TYR  38           HE2      TYR  38   8.623   4.728  -1.425
  315    HH   TYR  38           HH       TYR  38  10.859   4.271  -2.957
  316    H    GLN  39           H        GLN  39   8.236   2.438   3.412
  317    HA   GLN  39           HA       GLN  39  10.179   4.313   2.722
  318   1HB   GLN  39          1HB       GLN  39   8.445   4.084   5.176
  319   2HB   GLN  39          2HB       GLN  39   9.457   5.482   4.834
  320   1HG   GLN  39          1HG       GLN  39   7.313   4.458   2.995
  321   2HG   GLN  39          2HG       GLN  39   7.085   5.739   4.178
  322   2HE2  GLN  39          2HE2      GLN  39  10.124   6.235   3.331
  323   1HE2  GLN  39          1HE2      GLN  39   9.926   7.297   1.984
  324    H    LYS  40           H        LYS  40  10.063   2.036   5.430
  325    HA   LYS  40           HA       LYS  40  12.290   2.930   6.847
  326   1HB   LYS  40          1HB       LYS  40  11.267   0.101   6.534
  327   2HB   LYS  40          2HB       LYS  40  12.400   0.636   7.769
  328   1HG   LYS  40          1HG       LYS  40  10.714   2.114   8.705
  329   2HG   LYS  40          2HG       LYS  40   9.578   1.637   7.442
  330   1HD   LYS  40          1HD       LYS  40   9.113   0.439   9.509
  331   2HD   LYS  40          2HD       LYS  40   9.657  -0.677   8.256
  332   1HE   LYS  40          1HE       LYS  40  10.698  -1.199  10.394
  333   2HE   LYS  40          2HE       LYS  40  11.903  -0.668   9.223
  334   1HZ   LYS  40          1HZ       LYS  40  11.440   1.639  10.320
  335   2HZ   LYS  40          2HZ       LYS  40  10.920   0.697  11.625
  336   3HZ   LYS  40          3HZ       LYS  40  12.502   0.542  11.047
  337    H    GLU  41           H        GLU  41  12.113   0.444   4.308
  338    HA   GLU  41           HA       GLU  41  14.974   0.131   4.245
  339   1HB   GLU  41          1HB       GLU  41  12.823  -0.949   2.418
  340   2HB   GLU  41          2HB       GLU  41  14.519  -1.411   2.362
  341   1HG   GLU  41          1HG       GLU  41  12.648  -1.843   4.680
  342   2HG   GLU  41          2HG       GLU  41  13.179  -3.070   3.530
  343    H    GLN  42           H        GLN  42  14.498   2.770   3.836
  344    HA   GLN  42           HA       GLN  42  15.409   3.115   1.084
  345   1HB   GLN  42          1HB       GLN  42  13.026   3.584   0.992
  346   2HB   GLN  42          2HB       GLN  42  13.162   4.687   2.354
  347   1HG   GLN  42          1HG       GLN  42  14.606   6.142   1.005
  348   2HG   GLN  42          2HG       GLN  42  14.396   5.053  -0.363
  349   2HE2  GLN  42          2HE2      GLN  42  11.559   5.019   1.299
  350   1HE2  GLN  42          1HE2      GLN  42  10.703   6.243   0.435
  351    H    LEU  43           H        LEU  43  14.800   4.693   4.208
  352    HA   LEU  43           HA       LEU  43  16.674   6.788   3.785
  353   1HB   LEU  43          1HB       LEU  43  15.476   5.726   6.336
  354   2HB   LEU  43          2HB       LEU  43  16.385   7.217   6.201
  355    HG   LEU  43           HG       LEU  43  13.776   6.659   4.790
  356   1HD1  LEU  43          1HD1      LEU  43  13.557   6.822   7.248
  357   2HD1  LEU  43          2HD1      LEU  43  14.310   8.415   7.181
  358   3HD1  LEU  43          3HD1      LEU  43  12.757   8.140   6.392
  359   1HD2  LEU  43          1HD2      LEU  43  15.707   8.434   4.066
  360   2HD2  LEU  43          2HD2      LEU  43  13.985   8.627   3.736
  361   3HD2  LEU  43          3HD2      LEU  43  14.709   9.414   5.139
  362    H    HIS  44           H        HIS  44  17.822   6.439   6.563
  363    HA   HIS  44           HA       HIS  44  19.656   5.584   7.591
  364   1HB   HIS  44          1HB       HIS  44  19.388   3.310   5.609
  365   2HB   HIS  44          2HB       HIS  44  20.466   3.325   7.000
  366    HD1  HIS  44           HD1      HIS  44  18.838   1.046   7.292
  367    HD2  HIS  44           HD2      HIS  44  17.252   4.771   8.229
  368    HE1  HIS  44           HE1      HIS  44  16.872   0.582   8.789
  369    HE2  HIS  44           HE2      HIS  44  15.970   2.854   9.400
  370    H    THR  45           H        THR  45  19.926   7.547   5.794
  371    HA   THR  45           HA       THR  45  21.345   8.645   4.437
  372    HB   THR  45           HB       THR  45  23.749   8.297   4.822
  373    HG1  THR  45           HG1      THR  45  24.334   6.328   5.307
  374   1HG2  THR  45          1HG2      THR  45  21.917   8.321   7.203
  375   2HG2  THR  45          2HG2      THR  45  23.664   8.487   7.375
  376   3HG2  THR  45          3HG2      THR  45  22.753   9.674   6.441
  377    H    LYS  46           H        LYS  46  23.925   6.989   3.620
  378    HA   LYS  46           HA       LYS  46  23.265   6.594   0.965
  379   1HB   LYS  46          1HB       LYS  46  25.432   5.394   2.676
  380   2HB   LYS  46          2HB       LYS  46  25.291   5.011   0.967
  381   1HG   LYS  46          1HG       LYS  46  26.923   6.748   1.279
  382   2HG   LYS  46          2HG       LYS  46  25.522   7.400   0.431
  383   1HD   LYS  46          1HD       LYS  46  26.292   8.970   2.111
  384   2HD   LYS  46          2HD       LYS  46  24.703   8.345   2.551
  385   1HE   LYS  46          1HE       LYS  46  26.167   8.438   4.495
  386   2HE   LYS  46          2HE       LYS  46  25.753   6.770   4.102
  387   1HZ   LYS  46          1HZ       LYS  46  27.938   6.750   2.836
  388   2HZ   LYS  46          2HZ       LYS  46  28.318   8.174   3.666
  389   3HZ   LYS  46          3HZ       LYS  46  28.033   6.744   4.524
  390    H    GLY  47           H        GLY  47  22.390   4.998  -0.211
  391   1HA   GLY  47          1HA       GLY  47  20.964   3.224  -0.577
  392   2HA   GLY  47          2HA       GLY  47  20.930   2.939   1.152
  393    H    ARG  48           H        ARG  48  23.314   2.215   1.910
  394    HA   ARG  48           HA       ARG  48  24.910   0.667   0.238
  395   1HB   ARG  48          1HB       ARG  48  24.354   0.227   3.179
  396   2HB   ARG  48          2HB       ARG  48  25.706  -0.447   2.282
  397   1HG   ARG  48          1HG       ARG  48  26.528   1.826   1.843
  398   2HG   ARG  48          2HG       ARG  48  25.195   2.471   2.801
  399   1HD   ARG  48          1HD       ARG  48  27.369   0.628   3.787
  400   2HD   ARG  48          2HD       ARG  48  27.242   2.355   4.119
  401    HE   ARG  48           HE       ARG  48  24.877   1.123   4.958
  402   1HH1  ARG  48          1HH1      ARG  48  28.260   1.207   5.783
  403   2HH1  ARG  48          2HH1      ARG  48  27.994   0.860   7.459
  404   1HH2  ARG  48          1HH2      ARG  48  24.514   0.663   7.163
  405   2HH2  ARG  48          2HH2      ARG  48  25.863   0.547   8.243
  406    HA   PRO  49           HA       PRO  49  22.369  -2.811  -0.796
  407   1HB   PRO  49          1HB       PRO  49  24.356  -4.644  -1.253
  408   2HB   PRO  49          2HB       PRO  49  23.879  -3.396  -2.410
  409   1HG   PRO  49          1HG       PRO  49  26.156  -3.409  -0.468
  410   2HG   PRO  49          2HG       PRO  49  26.133  -2.879  -2.161
  411   1HD   PRO  49          1HD       PRO  49  26.033  -1.117  -0.142
  412   2HD   PRO  49          2HD       PRO  49  25.118  -0.857  -1.642
  413    H    PHE  50           H        PHE  50  21.313  -4.222   0.429
  414    HA   PHE  50           HA       PHE  50  22.445  -6.177   2.070
  415   1HB   PHE  50          1HB       PHE  50  23.043  -4.160   3.447
  416   2HB   PHE  50          2HB       PHE  50  21.323  -3.864   3.650
  417    HD1  PHE  50           HD1      PHE  50  23.244  -7.054   3.768
  418    HD2  PHE  50           HD2      PHE  50  20.866  -4.229   5.884
  419    HE1  PHE  50           HE1      PHE  50  23.217  -8.547   5.724
  420    HE2  PHE  50           HE2      PHE  50  20.835  -5.717   7.843
  421    HZ   PHE  50           HZ       PHE  50  22.012  -7.878   7.765
  422    H    ARG  51           H        ARG  51  20.566  -6.366   0.249
  423    HA   ARG  51           HA       ARG  51  18.491  -7.069  -0.257
  424   1HB   ARG  51          1HB       ARG  51  18.584  -7.885   2.636
  425   2HB   ARG  51          2HB       ARG  51  17.432  -8.461   1.450
  426   1HG   ARG  51          1HG       ARG  51  20.389  -8.816   1.248
  427   2HG   ARG  51          2HG       ARG  51  19.260 -10.032   1.851
  428   1HD   ARG  51          1HD       ARG  51  18.127 -10.059  -0.309
  429   2HD   ARG  51          2HD       ARG  51  19.224  -8.816  -0.909
  430    HE   ARG  51           HE       ARG  51  20.739 -10.995  -0.006
  431   1HH1  ARG  51          1HH1      ARG  51  18.515 -10.166  -2.557
  432   2HH1  ARG  51          2HH1      ARG  51  19.192 -11.290  -3.687
  433   1HH2  ARG  51          1HH2      ARG  51  21.640 -12.476  -1.492
  434   2HH2  ARG  51          2HH2      ARG  51  20.970 -12.597  -3.085
  435    H    GLY  52           H        GLY  52  18.290  -4.561  -0.202
  436   1HA   GLY  52          1HA       GLY  52  16.954  -2.735   0.138
  437   2HA   GLY  52          2HA       GLY  52  16.758  -3.301   1.789
  438    H    MET  53           H        MET  53  14.962  -2.221  -0.495
  439    HA   MET  53           HA       MET  53  13.043  -4.241  -1.014
  440   1HB   MET  53          1HB       MET  53  12.670  -4.045   1.358
  441   2HB   MET  53          2HB       MET  53  12.520  -2.305   1.231
  442   1HG   MET  53          1HG       MET  53  10.477  -2.541  -0.048
  443   2HG   MET  53          2HG       MET  53  10.636  -4.294  -0.014
  444   1HE   MET  53          1HE       MET  53   8.224  -3.396   0.424
  445   2HE   MET  53          2HE       MET  53   7.821  -4.488   1.749
  446   3HE   MET  53          3HE       MET  53   7.652  -2.745   1.960
  447    H    SER  54           H        SER  54  11.086  -3.371  -2.046
  448    HA   SER  54           HA       SER  54  11.017  -0.577  -2.737
  449   1HB   SER  54          1HB       SER  54  11.249  -0.936  -5.177
  450   2HB   SER  54          2HB       SER  54  12.729  -1.338  -4.306
  451    HG   SER  54           HG       SER  54  12.559  -3.183  -5.290
  452    H    GLU  55           H        GLU  55   9.567  -1.180  -5.255
  453    HA   GLU  55           HA       GLU  55   6.959  -1.404  -4.158
  454   1HB   GLU  55          1HB       GLU  55   7.858  -1.533  -7.040
  455   2HB   GLU  55          2HB       GLU  55   6.202  -1.308  -6.496
  456   1HG   GLU  55          1HG       GLU  55   6.826   0.804  -5.449
  457   2HG   GLU  55          2HG       GLU  55   8.491   0.578  -5.983
  458    H    GLU  56           H        GLU  56   9.094  -3.644  -5.826
  459    HA   GLU  56           HA       GLU  56   7.324  -5.660  -6.481
  460   1HB   GLU  56          1HB       GLU  56   9.272  -7.189  -6.340
  461   2HB   GLU  56          2HB       GLU  56   9.606  -5.714  -7.237
  462   1HG   GLU  56          1HG       GLU  56  10.728  -4.781  -5.275
  463   2HG   GLU  56          2HG       GLU  56  10.406  -6.272  -4.390
  464    H    GLU  57           H        GLU  57   9.071  -5.244  -3.395
  465    HA   GLU  57           HA       GLU  57   8.024  -7.577  -2.190
  466   1HB   GLU  57          1HB       GLU  57  10.018  -6.436  -1.329
  467   2HB   GLU  57          2HB       GLU  57   9.033  -5.051  -0.873
  468   1HG   GLU  57          1HG       GLU  57   9.388  -6.293   1.099
  469   2HG   GLU  57          2HG       GLU  57   7.721  -6.605   0.606
  470    H    VAL  58           H        VAL  58   7.050  -4.167  -1.941
  471    HA   VAL  58           HA       VAL  58   4.991  -4.419  -0.118
  472    HB   VAL  58           HB       VAL  58   5.005  -2.576  -2.516
  473   1HG1  VAL  58          1HG1      VAL  58   2.852  -2.854  -1.209
  474   2HG1  VAL  58          2HG1      VAL  58   3.697  -2.117   0.152
  475   3HG1  VAL  58          3HG1      VAL  58   3.479  -1.211  -1.345
  476   1HG2  VAL  58          1HG2      VAL  58   6.974  -2.687  -0.696
  477   2HG2  VAL  58          2HG2      VAL  58   6.448  -1.188  -1.463
  478   3HG2  VAL  58          3HG2      VAL  58   5.855  -1.613   0.143
  479    H    PHE  59           H        PHE  59   4.922  -4.900  -3.621
  480    HA   PHE  59           HA       PHE  59   2.166  -5.301  -3.907
  481   1HB   PHE  59          1HB       PHE  59   3.638  -4.952  -5.828
  482   2HB   PHE  59          2HB       PHE  59   4.450  -6.480  -5.506
  483    HD1  PHE  59           HD1      PHE  59   0.821  -5.633  -5.551
  484    HD2  PHE  59           HD2      PHE  59   4.003  -7.849  -7.306
  485    HE1  PHE  59           HE1      PHE  59  -0.793  -6.793  -7.002
  486    HE2  PHE  59           HE2      PHE  59   2.394  -9.013  -8.760
  487    HZ   PHE  59           HZ       PHE  59  -0.007  -8.485  -8.610
  488    H    THR  60           H        THR  60   4.774  -7.517  -3.061
  489    HA   THR  60           HA       THR  60   3.190  -9.876  -3.147
  490    HB   THR  60           HB       THR  60   5.783  -9.381  -1.670
  491    HG1  THR  60           HG1      THR  60   5.143 -10.069  -4.322
  492   1HG2  THR  60          1HG2      THR  60   4.020 -11.680  -1.823
  493   2HG2  THR  60          2HG2      THR  60   5.632 -12.047  -2.438
  494   3HG2  THR  60          3HG2      THR  60   5.434 -11.412  -0.805
  495    H    GLU  61           H        GLU  61   4.353  -7.879  -0.433
  496    HA   GLU  61           HA       GLU  61   3.192  -9.328   1.632
  497   1HB   GLU  61          1HB       GLU  61   3.741  -6.365   1.467
  498   2HB   GLU  61          2HB       GLU  61   3.359  -7.233   2.949
  499   1HG   GLU  61          1HG       GLU  61   5.372  -8.624   2.607
  500   2HG   GLU  61          2HG       GLU  61   5.769  -7.649   1.193
  501    H    VAL  62           H        VAL  62   1.862  -6.573  -0.190
  502    HA   VAL  62           HA       VAL  62  -0.590  -6.466   1.217
  503    HB   VAL  62           HB       VAL  62   0.003  -5.594  -1.622
  504   1HG1  VAL  62          1HG1      VAL  62  -2.387  -5.316   0.131
  505   2HG1  VAL  62          2HG1      VAL  62  -1.962  -3.978  -0.936
  506   3HG1  VAL  62          3HG1      VAL  62  -2.287  -5.575  -1.611
  507   1HG2  VAL  62          1HG2      VAL  62   0.233  -4.217   1.036
  508   2HG2  VAL  62          2HG2      VAL  62   1.438  -4.360  -0.244
  509   3HG2  VAL  62          3HG2      VAL  62   0.039  -3.309  -0.464
  510    H    ALA  63           H        ALA  63   0.455  -8.168  -1.701
  511    HA   ALA  63           HA       ALA  63  -2.028  -9.239  -2.459
  512   1HB   ALA  63          1HB       ALA  63  -0.573 -11.042  -3.543
  513   2HB   ALA  63          2HB       ALA  63   0.803 -10.131  -2.921
  514   3HB   ALA  63          3HB       ALA  63  -0.314  -9.375  -4.057
  515    H    ASN  64           H        ASN  64   0.466 -10.370  -0.253
  516    HA   ASN  64           HA       ASN  64  -0.581 -12.906   0.318
  517   1HB   ASN  64          1HB       ASN  64   1.200 -11.028   1.866
  518   2HB   ASN  64          2HB       ASN  64   0.731 -12.604   2.503
  519   2HD2  ASN  64          2HD2      ASN  64   3.183 -11.085   1.063
  520   1HD2  ASN  64          1HD2      ASN  64   3.865 -12.382   0.150
  521    H    LEU  65           H        LEU  65  -1.183  -9.739   1.745
  522    HA   LEU  65           HA       LEU  65  -2.816 -10.571   3.885
  523   1HB   LEU  65          1HB       LEU  65  -2.146  -8.082   2.495
  524   2HB   LEU  65          2HB       LEU  65  -3.761  -8.097   3.164
  525    HG   LEU  65           HG       LEU  65  -1.256  -8.632   4.753
  526   1HD1  LEU  65          1HD1      LEU  65  -2.354  -6.201   3.770
  527   2HD1  LEU  65          2HD1      LEU  65  -2.573  -6.252   5.520
  528   3HD1  LEU  65          3HD1      LEU  65  -0.961  -6.436   4.828
  529   1HD2  LEU  65          1HD2      LEU  65  -4.169  -8.563   5.375
  530   2HD2  LEU  65          2HD2      LEU  65  -2.911  -9.641   5.984
  531   3HD2  LEU  65          3HD2      LEU  65  -3.024  -7.988   6.589
  532    H    PHE  66           H        PHE  66  -3.766  -8.986   0.871
  533    HA   PHE  66           HA       PHE  66  -6.516  -9.725   1.126
  534   1HB   PHE  66          1HB       PHE  66  -4.987  -8.552  -1.202
  535   2HB   PHE  66          2HB       PHE  66  -6.736  -8.682  -1.112
  536    HD1  PHE  66           HD1      PHE  66  -5.829  -7.949   2.135
  537    HD2  PHE  66           HD2      PHE  66  -5.964  -6.146  -1.725
  538    HE1  PHE  66           HE1      PHE  66  -5.918  -5.723   3.178
  539    HE2  PHE  66           HE2      PHE  66  -6.057  -3.921  -0.682
  540    HZ   PHE  66           HZ       PHE  66  -6.031  -3.706   1.770
  541    H    ARG  67           H        ARG  67  -4.977 -12.080   1.167
  542    HA   ARG  67           HA       ARG  67  -4.692 -13.354  -1.305
  543   1HB   ARG  67          1HB       ARG  67  -3.696 -14.261   0.718
  544   2HB   ARG  67          2HB       ARG  67  -5.288 -14.531   1.415
  545   1HG   ARG  67          1HG       ARG  67  -4.350 -16.610   0.617
  546   2HG   ARG  67          2HG       ARG  67  -5.769 -16.176  -0.337
  547   1HD   ARG  67          1HD       ARG  67  -4.314 -15.301  -2.098
  548   2HD   ARG  67          2HD       ARG  67  -2.896 -15.727  -1.141
  549    HE   ARG  67           HE       ARG  67  -4.333 -17.446  -2.839
  550   1HH1  ARG  67          1HH1      ARG  67  -2.820 -17.410   0.301
  551   2HH1  ARG  67          2HH1      ARG  67  -2.509 -19.113   0.312
  552   1HH2  ARG  67          1HH2      ARG  67  -3.927 -19.690  -2.830
  553   2HH2  ARG  67          2HH2      ARG  67  -3.137 -20.408  -1.466
  554    H    GLY  68           H        GLY  68  -6.080 -14.259  -2.695
  555   1HA   GLY  68          1HA       GLY  68  -8.687 -15.185  -1.888
  556   2HA   GLY  68          2HA       GLY  68  -8.034 -15.192  -3.520
  557    H    GLN  69           H        GLN  69  -8.421 -12.464  -1.306
  558    HA   GLN  69           HA       GLN  69 -10.682 -11.411  -2.759
  559   1HB   GLN  69          1HB       GLN  69  -9.043 -10.252  -0.495
  560   2HB   GLN  69          2HB       GLN  69 -10.529  -9.554  -1.127
  561   1HG   GLN  69          1HG       GLN  69 -11.821 -11.383  -0.364
  562   2HG   GLN  69          2HG       GLN  69 -10.383 -12.331   0.004
  563   2HE2  GLN  69          2HE2      GLN  69  -9.624  -9.297   0.927
  564   1HE2  GLN  69          1HE2      GLN  69 -10.114  -9.360   2.581
  565    H    GLU  70           H        GLU  70  -8.850 -11.651  -4.622
  566    HA   GLU  70           HA       GLU  70  -6.985  -9.579  -4.932
  567   1HB   GLU  70          1HB       GLU  70  -8.379 -11.223  -7.048
  568   2HB   GLU  70          2HB       GLU  70  -6.956 -10.227  -7.315
  569   1HG   GLU  70          1HG       GLU  70  -5.696 -11.610  -5.743
  570   2HG   GLU  70          2HG       GLU  70  -7.122 -12.614  -5.491
  571    H    ASP  71           H        ASP  71 -10.221  -9.167  -4.703
  572    HA   ASP  71           HA       ASP  71 -10.875  -7.499  -6.866
  573   1HB   ASP  71          1HB       ASP  71 -11.928  -7.419  -4.043
  574   2HB   ASP  71          2HB       ASP  71 -12.682  -6.650  -5.433
  575    H    LEU  72           H        LEU  72  -9.691  -6.742  -3.623
  576    HA   LEU  72           HA       LEU  72  -9.395  -3.942  -4.105
  577   1HB   LEU  72          1HB       LEU  72  -8.186  -5.718  -1.979
  578   2HB   LEU  72          2HB       LEU  72  -8.181  -3.965  -1.956
  579    HG   LEU  72           HG       LEU  72 -10.723  -5.579  -1.981
  580   1HD1  LEU  72          1HD1      LEU  72  -9.391  -6.171  -0.006
  581   2HD1  LEU  72          2HD1      LEU  72  -9.263  -4.461   0.409
  582   3HD1  LEU  72          3HD1      LEU  72 -10.838  -5.256   0.420
  583   1HD2  LEU  72          1HD2      LEU  72 -10.593  -3.095  -2.658
  584   2HD2  LEU  72          2HD2      LEU  72 -11.805  -3.581  -1.473
  585   3HD2  LEU  72          3HD2      LEU  72 -10.317  -2.796  -0.941
  586    H    LEU  73           H        LEU  73  -7.401  -6.780  -4.385
  587    HA   LEU  73           HA       LEU  73  -4.857  -5.724  -4.535
  588   1HB   LEU  73          1HB       LEU  73  -6.119  -8.161  -4.905
  589   2HB   LEU  73          2HB       LEU  73  -5.396  -7.833  -6.451
  590    HG   LEU  73           HG       LEU  73  -3.810  -9.122  -5.288
  591   1HD1  LEU  73          1HD1      LEU  73  -3.051  -6.223  -4.988
  592   2HD1  LEU  73          2HD1      LEU  73  -1.929  -7.579  -4.856
  593   3HD1  LEU  73          3HD1      LEU  73  -2.751  -7.260  -6.385
  594   1HD2  LEU  73          1HD2      LEU  73  -5.079  -8.330  -3.057
  595   2HD2  LEU  73          2HD2      LEU  73  -3.517  -9.148  -3.061
  596   3HD2  LEU  73          3HD2      LEU  73  -3.590  -7.391  -2.921
  597    H    SER  74           H        SER  74  -7.382  -6.012  -6.952
  598    HA   SER  74           HA       SER  74  -5.965  -5.321  -9.240
  599   1HB   SER  74          1HB       SER  74  -8.281  -6.189  -9.234
  600   2HB   SER  74          2HB       SER  74  -8.840  -4.655  -8.568
  601    HG   SER  74           HG       SER  74  -9.100  -4.662 -10.810
  602    H    GLU  75           H        GLU  75  -7.519  -3.282  -6.800
  603    HA   GLU  75           HA       GLU  75  -7.125  -0.820  -8.120
  604   1HB   GLU  75          1HB       GLU  75  -7.324  -1.376  -5.154
  605   2HB   GLU  75          2HB       GLU  75  -7.505   0.197  -5.916
  606   1HG   GLU  75          1HG       GLU  75  -9.478  -0.595  -7.106
  607   2HG   GLU  75          2HG       GLU  75  -9.295  -2.180  -6.357
  608    H    PHE  76           H        PHE  76  -5.238  -2.456  -5.586
  609    HA   PHE  76           HA       PHE  76  -3.196  -0.558  -5.351
  610   1HB   PHE  76          1HB       PHE  76  -3.554  -2.456  -3.791
  611   2HB   PHE  76          2HB       PHE  76  -2.961  -3.558  -5.025
  612    HD1  PHE  76           HD1      PHE  76  -1.633  -0.224  -4.026
  613    HD2  PHE  76           HD2      PHE  76  -1.016  -4.434  -4.136
  614    HE1  PHE  76           HE1      PHE  76   0.660   0.094  -3.194
  615    HE2  PHE  76           HE2      PHE  76   1.279  -4.123  -3.307
  616    HZ   PHE  76           HZ       PHE  76   2.119  -1.856  -2.835
  617    H    GLY  77           H        GLY  77  -3.527  -3.333  -7.503
  618   1HA   GLY  77          1HA       GLY  77  -2.452  -3.917  -9.437
  619   2HA   GLY  77          2HA       GLY  77  -0.997  -3.277  -8.688
  620    H    GLN  78           H        GLN  78  -3.889  -1.403  -9.406
  621    HA   GLN  78           HA       GLN  78  -3.234  -0.401 -11.903
  622   1HB   GLN  78          1HB       GLN  78  -4.673   0.987  -9.636
  623   2HB   GLN  78          2HB       GLN  78  -4.654   1.551 -11.301
  624   1HG   GLN  78          1HG       GLN  78  -5.793  -0.452 -12.028
  625   2HG   GLN  78          2HG       GLN  78  -5.746  -1.101 -10.392
  626   2HE2  GLN  78          2HE2      GLN  78  -6.217   2.153 -10.124
  627   1HE2  GLN  78          1HE2      GLN  78  -7.940   2.182 -10.040
  628    H    PHE  79           H        PHE  79  -2.277   0.807  -8.709
  629    HA   PHE  79           HA       PHE  79  -0.888   3.081  -9.683
  630   1HB   PHE  79          1HB       PHE  79  -0.656   1.581  -7.067
  631   2HB   PHE  79          2HB       PHE  79   0.190   3.084  -7.410
  632    HD1  PHE  79           HD1      PHE  79  -3.306   1.763  -7.652
  633    HD2  PHE  79           HD2      PHE  79  -0.742   4.975  -6.542
  634    HE1  PHE  79           HE1      PHE  79  -5.253   3.037  -6.860
  635    HE2  PHE  79           HE2      PHE  79  -2.686   6.253  -5.744
  636    HZ   PHE  79           HZ       PHE  79  -4.945   5.286  -5.904
  637    H    LEU  80           H        LEU  80   0.183  -0.146  -8.668
  638    HA   LEU  80           HA       LEU  80   2.930   0.287  -9.214
  639   1HB   LEU  80          1HB       LEU  80   1.474  -2.355  -9.189
  640   2HB   LEU  80          2HB       LEU  80   3.188  -2.091  -8.930
  641    HG   LEU  80           HG       LEU  80   0.950  -1.268  -7.077
  642   1HD1  LEU  80          1HD1      LEU  80   2.669  -3.615  -7.289
  643   2HD1  LEU  80          2HD1      LEU  80   2.678  -2.869  -5.691
  644   3HD1  LEU  80          3HD1      LEU  80   1.155  -3.389  -6.413
  645   1HD2  LEU  80          1HD2      LEU  80   3.442  -0.054  -7.377
  646   2HD2  LEU  80          2HD2      LEU  80   2.333   0.106  -6.014
  647   3HD2  LEU  80          3HD2      LEU  80   3.610  -1.111  -5.974
  648    HA   PRO  81           HA       PRO  81   3.207   0.033 -13.610
  649   1HB   PRO  81          1HB       PRO  81   5.477  -1.806 -13.225
  650   2HB   PRO  81          2HB       PRO  81   5.408  -0.283 -14.107
  651   1HG   PRO  81          1HG       PRO  81   6.640  -0.460 -11.739
  652   2HG   PRO  81          2HG       PRO  81   5.730   0.988 -12.206
  653   1HD   PRO  81          1HD       PRO  81   4.984  -1.196 -10.318
  654   2HD   PRO  81          2HD       PRO  81   4.618   0.540 -10.242
  655    H    GLU  82           H        GLU  82   2.024  -1.152 -14.964
  656    HA   GLU  82           HA       GLU  82   1.083  -3.739 -14.302
  657   1HB   GLU  82          1HB       GLU  82   1.010  -2.288 -16.954
  658   2HB   GLU  82          2HB       GLU  82   0.073  -3.719 -16.551
  659   1HG   GLU  82          1HG       GLU  82  -0.146  -1.053 -15.173
  660   2HG   GLU  82          2HG       GLU  82  -1.240  -1.654 -16.417
  661    H    ALA  83           H        ALA  83   1.812  -5.716 -14.800
  662    HA   ALA  83           HA       ALA  83   4.437  -5.998 -15.912
  663   1HB   ALA  83          1HB       ALA  83   2.417  -8.057 -15.037
  664   2HB   ALA  83          2HB       ALA  83   3.760  -7.420 -14.088
  665   3HB   ALA  83          3HB       ALA  83   4.079  -8.412 -15.511
  666    H    LYS  84           H        LYS  84   3.663  -8.664 -17.122
  667    HA   LYS  84           HA       LYS  84   3.489  -7.784 -19.818
  668   1HB   LYS  84          1HB       LYS  84   4.708  -9.807 -19.249
  669   2HB   LYS  84          2HB       LYS  84   3.244 -10.546 -18.615
  670   1HG   LYS  84          1HG       LYS  84   2.264 -10.555 -20.840
  671   2HG   LYS  84          2HG       LYS  84   3.706  -9.772 -21.489
  672   1HD   LYS  84          1HD       LYS  84   5.056 -11.694 -20.859
  673   2HD   LYS  84          2HD       LYS  84   3.643 -12.471 -20.140
  674   1HE   LYS  84          1HE       LYS  84   4.127 -13.367 -22.364
  675   2HE   LYS  84          2HE       LYS  84   2.563 -12.555 -22.318
  676   1HZ   LYS  84          1HZ       LYS  84   4.421 -10.634 -23.036
  677   2HZ   LYS  84          2HZ       LYS  84   4.801 -12.004 -23.954
  678   3HZ   LYS  84          3HZ       LYS  84   3.245 -11.344 -24.025
  679    H    ARG  85           H        ARG  85   1.820  -7.854 -21.263
  680    HA   ARG  85           HA       ARG  85  -0.315  -7.792 -22.036
  681   1HB   ARG  85          1HB       ARG  85  -0.174 -10.229 -21.352
  682   2HB   ARG  85          2HB       ARG  85  -0.973  -9.778 -19.855
  683   1HG   ARG  85          1HG       ARG  85  -2.171  -9.262 -22.563
  684   2HG   ARG  85          2HG       ARG  85  -2.438 -10.751 -21.659
  685   1HD   ARG  85          1HD       ARG  85  -3.126  -7.962 -20.737
  686   2HD   ARG  85          2HD       ARG  85  -4.267  -9.169 -21.328
  687    HE   ARG  85           HE       ARG  85  -2.854 -10.271 -19.180
  688   1HH1  ARG  85          1HH1      ARG  85  -5.178  -7.750 -19.808
  689   2HH1  ARG  85          2HH1      ARG  85  -5.894  -7.842 -18.234
  690   1HH2  ARG  85          1HH2      ARG  85  -3.793 -10.397 -17.106
  691   2HH2  ARG  85          2HH2      ARG  85  -5.108  -9.346 -16.699
  692    H1   ASN   1           H1       ASN   1   4.027   6.545  -6.100
  693    H2   ASN   1           H2       ASN   1   3.868   6.290  -7.764
  694    H3   ASN   1           H3       ASN   1   3.381   7.760  -7.083
  695    HA   ASN   1           HA       ASN   1   1.351   6.956  -6.942
  696   1HB   ASN   1          1HB       ASN   1   0.889   4.568  -7.489
  697   2HB   ASN   1          2HB       ASN   1   1.894   5.371  -8.691
  698   2HD2  ASN   1          2HD2      ASN   1   3.565   4.257  -9.362
  699   1HD2  ASN   1          1HD2      ASN   1   4.390   3.020  -8.483
  700    H    ILE   2           H        ILE   2   3.732   5.018  -5.208
  701    HA   ILE   2           HA       ILE   2   2.011   4.023  -3.208
  702    HB   ILE   2           HB       ILE   2   4.985   4.544  -3.089
  703   1HG1  ILE   2          1HG1      ILE   2   4.376   2.959  -4.840
  704   2HG1  ILE   2          2HG1      ILE   2   5.169   2.117  -3.513
  705   1HG2  ILE   2          1HG2      ILE   2   3.689   4.319  -0.876
  706   2HG2  ILE   2          2HG2      ILE   2   3.508   2.624  -1.328
  707   3HG2  ILE   2          3HG2      ILE   2   5.118   3.313  -1.120
  708   1HD1  ILE   2          1HD1      ILE   2   2.851   1.542  -2.679
  709   2HD1  ILE   2          2HD1      ILE   2   2.259   2.116  -4.238
  710   3HD1  ILE   2          3HD1      ILE   2   3.377   0.753  -4.166
  711    H    GLN   3           H        GLN   3   3.741   7.041  -3.566
  712    HA   GLN   3           HA       GLN   3   3.676   8.007  -0.970
  713   1HB   GLN   3          1HB       GLN   3   4.915   9.129  -2.719
  714   2HB   GLN   3          2HB       GLN   3   3.434   9.486  -3.594
  715   1HG   GLN   3          1HG       GLN   3   3.919  10.541  -0.831
  716   2HG   GLN   3          2HG       GLN   3   4.531  11.366  -2.263
  717   2HE2  GLN   3          2HE2      GLN   3   2.097  11.358  -0.113
  718   1HE2  GLN   3          1HE2      GLN   3   0.835  12.045  -1.073
  719    H    MET   4           H        MET   4   1.172   8.100  -3.463
  720    HA   MET   4           HA       MET   4  -0.630   9.733  -2.031
  721   1HB   MET   4          1HB       MET   4  -1.067   7.754  -4.261
  722   2HB   MET   4          2HB       MET   4  -2.344   8.775  -3.612
  723   1HG   MET   4          1HG       MET   4  -1.494   9.792  -5.592
  724   2HG   MET   4          2HG       MET   4  -0.994  10.761  -4.208
  725   1HE   MET   4          1HE       MET   4   0.080  11.282  -6.837
  726   2HE   MET   4          2HE       MET   4   1.180  12.009  -5.665
  727   3HE   MET   4          3HE       MET   4   1.818  11.016  -6.975
  728    H    LEU   5           H        LEU   5  -0.418   6.184  -2.329
  729    HA   LEU   5           HA       LEU   5  -2.687   5.677  -0.708
  730   1HB   LEU   5          1HB       LEU   5  -0.326   3.889  -1.305
  731   2HB   LEU   5          2HB       LEU   5  -1.840   3.366  -0.590
  732    HG   LEU   5           HG       LEU   5  -1.446   4.435  -3.386
  733   1HD1  LEU   5          1HD1      LEU   5  -1.225   1.845  -2.297
  734   2HD1  LEU   5          2HD1      LEU   5  -2.729   1.895  -3.217
  735   3HD1  LEU   5          3HD1      LEU   5  -1.204   2.320  -3.995
  736   1HD2  LEU   5          1HD2      LEU   5  -3.714   4.715  -1.821
  737   2HD2  LEU   5          2HD2      LEU   5  -3.634   4.802  -3.581
  738   3HD2  LEU   5          3HD2      LEU   5  -4.035   3.277  -2.791
  739    H    LEU   6           H        LEU   6   0.787   5.623   0.002
  740    HA   LEU   6           HA       LEU   6   0.653   4.891   2.686
  741   1HB   LEU   6          1HB       LEU   6   2.733   4.931   1.420
  742   2HB   LEU   6          2HB       LEU   6   2.635   6.672   1.263
  743    HG   LEU   6           HG       LEU   6   2.913   6.881   3.719
  744   1HD1  LEU   6          1HD1      LEU   6   2.014   4.637   4.288
  745   2HD1  LEU   6          2HD1      LEU   6   3.497   3.926   3.649
  746   3HD1  LEU   6          3HD1      LEU   6   3.563   4.994   5.051
  747   1HD2  LEU   6          1HD2      LEU   6   4.880   5.897   1.813
  748   2HD2  LEU   6          2HD2      LEU   6   4.986   7.223   2.971
  749   3HD2  LEU   6          3HD2      LEU   6   5.320   5.571   3.490
  750    H    GLU   7           H        GLU   7   0.574   8.100   1.188
  751    HA   GLU   7           HA       GLU   7   0.395   9.544   3.630
  752   1HB   GLU   7          1HB       GLU   7   1.204  10.588   1.573
  753   2HB   GLU   7          2HB       GLU   7  -0.361  10.343   0.812
  754   1HG   GLU   7          1HG       GLU   7  -0.102  12.641   1.522
  755   2HG   GLU   7          2HG       GLU   7  -1.389  11.853   2.433
  756    H    ALA   8           H        ALA   8  -1.957   8.240   1.367
  757    HA   ALA   8           HA       ALA   8  -4.283   9.480   2.198
  758   1HB   ALA   8          1HB       ALA   8  -4.339   8.111   0.266
  759   2HB   ALA   8          2HB       ALA   8  -5.422   7.363   1.439
  760   3HB   ALA   8          3HB       ALA   8  -3.814   6.690   1.170
  761    H    ALA   9           H        ALA   9  -2.683   6.639   3.583
  762    HA   ALA   9           HA       ALA   9  -4.625   5.840   5.390
  763   1HB   ALA   9          1HB       ALA   9  -1.742   5.471   5.089
  764   2HB   ALA   9          2HB       ALA   9  -2.998   4.308   5.513
  765   3HB   ALA   9          3HB       ALA   9  -2.307   5.351   6.756
  766    H    ASP  10           H        ASP  10  -2.061   8.256   5.815
  767    HA   ASP  10           HA       ASP  10  -2.605   8.867   8.504
  768   1HB   ASP  10          1HB       ASP  10  -0.525   9.508   7.314
  769   2HB   ASP  10          2HB       ASP  10  -1.444  10.680   6.376
  770    H    TYR  11           H        TYR  11  -3.881  10.165   5.484
  771    HA   TYR  11           HA       TYR  11  -5.282  12.359   6.476
  772   1HB   TYR  11          1HB       TYR  11  -4.988  12.034   4.098
  773   2HB   TYR  11          2HB       TYR  11  -5.918  10.540   4.147
  774    HD1  TYR  11           HD1      TYR  11  -6.404  14.095   5.232
  775    HD2  TYR  11           HD2      TYR  11  -8.028  10.688   3.267
  776    HE1  TYR  11           HE1      TYR  11  -8.456  15.360   4.748
  777    HE2  TYR  11           HE2      TYR  11 -10.082  11.944   2.774
  778    HH   TYR  11           HH       TYR  11 -11.292  14.005   3.877
  779    H    LEU  12           H        LEU  12  -6.532   9.075   5.843
  780    HA   LEU  12           HA       LEU  12  -9.088   9.548   6.919
  781   1HB   LEU  12          1HB       LEU  12  -7.571   6.958   6.613
  782   2HB   LEU  12          2HB       LEU  12  -9.277   7.075   6.995
  783    HG   LEU  12           HG       LEU  12  -8.004   8.071   4.441
  784   1HD1  LEU  12          1HD1      LEU  12  -9.232   5.491   5.234
  785   2HD1  LEU  12          2HD1      LEU  12  -9.630   6.124   3.635
  786   3HD1  LEU  12          3HD1      LEU  12  -7.946   5.829   4.075
  787   1HD2  LEU  12          1HD2      LEU  12 -10.777   8.157   5.544
  788   2HD2  LEU  12          2HD2      LEU  12  -9.877   9.392   4.663
  789   3HD2  LEU  12          3HD2      LEU  12 -10.535   8.000   3.804
  790    H    GLU  13           H        GLU  13  -6.169   8.132   8.358
  791    HA   GLU  13           HA       GLU  13  -7.316   7.524  10.860
  792   1HB   GLU  13          1HB       GLU  13  -5.205   6.539  10.111
  793   2HB   GLU  13          2HB       GLU  13  -4.436   8.120  10.158
  794   1HG   GLU  13          1HG       GLU  13  -4.769   8.220  12.569
  795   2HG   GLU  13          2HG       GLU  13  -5.561   6.646  12.529

  No H/Q in entry =         795
  Start of MODEL    2
    1    H1   GLU   1           H1       GLU   1  -7.318  21.448  -8.280
    2    H2   GLU   1           H2       GLU   1  -8.871  21.803  -7.712
    3    H3   GLU   1           H3       GLU   1  -8.325  22.487  -9.159
    4    HA   GLU   1           HA       GLU   1  -7.200  24.111  -8.160
    5   1HB   GLU   1          1HB       GLU   1  -8.945  23.132  -5.892
    6   2HB   GLU   1          2HB       GLU   1  -8.205  24.724  -5.968
    7   1HG   GLU   1          1HG       GLU   1 -10.200  23.643  -7.947
    8   2HG   GLU   1          2HG       GLU   1 -10.572  24.737  -6.615
    9    H    SER   2           H        SER   2  -7.214  21.279  -6.023
   10    HA   SER   2           HA       SER   2  -4.377  21.457  -5.634
   11   1HB   SER   2          1HB       SER   2  -6.192  21.933  -3.256
   12   2HB   SER   2          2HB       SER   2  -4.448  21.687  -3.177
   13    HG   SER   2           HG       SER   2  -4.113  23.633  -4.062
   14    H    ASP   3           H        ASP   3  -7.352  20.131  -4.203
   15    HA   ASP   3           HA       ASP   3  -6.132  17.642  -3.507
   16   1HB   ASP   3          1HB       ASP   3  -9.053  18.416  -3.677
   17   2HB   ASP   3          2HB       ASP   3  -8.440  16.928  -2.963
   18    H    SER   4           H        SER   4  -5.208  17.177  -5.642
   19    HA   SER   4           HA       SER   4  -6.584  16.765  -7.981
   20   1HB   SER   4          1HB       SER   4  -4.304  16.550  -8.236
   21   2HB   SER   4          2HB       SER   4  -4.130  15.496  -6.835
   22    HG   SER   4           HG       SER   4  -4.714  13.806  -8.028
   23    H    VAL   5           H        VAL   5  -7.493  15.053  -8.987
   24    HA   VAL   5           HA       VAL   5  -9.291  13.483  -7.564
   25    HB   VAL   5           HB       VAL   5  -8.102  13.092 -10.312
   26   1HG1  VAL   5          1HG1      VAL   5  -9.138  11.020  -9.189
   27   2HG1  VAL   5          2HG1      VAL   5 -10.679  11.860  -9.371
   28   3HG1  VAL   5          3HG1      VAL   5  -9.718  11.463 -10.795
   29   1HG2  VAL   5          1HG2      VAL   5 -10.605  14.425  -9.306
   30   2HG2  VAL   5          2HG2      VAL   5  -9.280  15.137 -10.230
   31   3HG2  VAL   5          3HG2      VAL   5 -10.370  13.980 -10.997
   32    H    GLU   6           H        GLU   6  -6.044  12.811  -8.735
   33    HA   GLU   6           HA       GLU   6  -5.936  10.068  -8.201
   34   1HB   GLU   6          1HB       GLU   6  -3.693  12.088  -8.110
   35   2HB   GLU   6          2HB       GLU   6  -3.500  10.344  -8.214
   36   1HG   GLU   6          1HG       GLU   6  -4.638  10.351 -10.380
   37   2HG   GLU   6          2HG       GLU   6  -4.802  12.103 -10.278
   38    H    PHE   7           H        PHE   7  -5.387  12.855  -6.116
   39    HA   PHE   7           HA       PHE   7  -4.256  11.494  -3.929
   40   1HB   PHE   7          1HB       PHE   7  -4.170  13.916  -4.074
   41   2HB   PHE   7          2HB       PHE   7  -5.924  14.019  -4.011
   42    HD1  PHE   7           HD1      PHE   7  -3.731  11.886  -1.906
   43    HD2  PHE   7           HD2      PHE   7  -6.257  15.308  -2.101
   44    HE1  PHE   7           HE1      PHE   7  -3.633  12.094   0.543
   45    HE2  PHE   7           HE2      PHE   7  -6.165  15.519   0.347
   46    HZ   PHE   7           HZ       PHE   7  -4.851  13.913   1.672
   47    H    ASN   8           H        ASN   8  -7.632  12.596  -4.341
   48    HA   ASN   8           HA       ASN   8  -8.632  11.149  -2.133
   49   1HB   ASN   8          1HB       ASN   8 -10.066  12.120  -4.622
   50   2HB   ASN   8          2HB       ASN   8 -10.858  11.546  -3.157
   51   2HD2  ASN   8          2HD2      ASN   8  -9.951  14.222  -4.786
   52   1HD2  ASN   8          1HD2      ASN   8  -9.859  15.350  -3.482
   53    H    ASN   9           H        ASN   9  -7.955  10.369  -5.417
   54    HA   ASN   9           HA       ASN   9  -9.441   8.041  -5.807
   55   1HB   ASN   9          1HB       ASN   9  -8.072   9.323  -7.505
   56   2HB   ASN   9          2HB       ASN   9  -6.642   8.572  -6.828
   57   2HD2  ASN   9          2HD2      ASN   9  -8.159   8.501  -9.427
   58   1HD2  ASN   9          1HD2      ASN   9  -8.223   6.825  -9.790
   59    H    ALA  10           H        ALA  10  -6.256   8.569  -4.382
   60    HA   ALA  10           HA       ALA  10  -5.694   5.833  -3.850
   61   1HB   ALA  10          1HB       ALA  10  -4.153   7.194  -2.068
   62   2HB   ALA  10          2HB       ALA  10  -3.719   6.907  -3.754
   63   3HB   ALA  10          3HB       ALA  10  -4.461   8.438  -3.281
   64    H    ILE  11           H        ILE  11  -6.985   8.511  -1.925
   65    HA   ILE  11           HA       ILE  11  -7.117   7.374   0.578
   66    HB   ILE  11           HB       ILE  11  -9.268   9.088  -0.668
   67   1HG1  ILE  11          1HG1      ILE  11  -7.014  10.112  -0.811
   68   2HG1  ILE  11          2HG1      ILE  11  -8.096  11.006   0.245
   69   1HG2  ILE  11          1HG2      ILE  11  -8.701   8.146   2.088
   70   2HG2  ILE  11          2HG2      ILE  11  -9.349   9.775   1.877
   71   3HG2  ILE  11          3HG2      ILE  11 -10.245   8.381   1.265
   72   1HD1  ILE  11          1HD1      ILE  11  -6.643   9.086   1.778
   73   2HD1  ILE  11          2HD1      ILE  11  -5.526  10.047   0.808
   74   3HD1  ILE  11          3HD1      ILE  11  -6.655  10.845   1.905
   75    H    SER  12           H        SER  12  -9.449   7.106  -2.068
   76    HA   SER  12           HA       SER  12 -11.409   5.658  -0.735
   77   1HB   SER  12          1HB       SER  12 -11.794   6.668  -2.926
   78   2HB   SER  12          2HB       SER  12 -10.648   5.552  -3.665
   79    HG   SER  12           HG       SER  12 -12.281   4.265  -3.887
   80    H    TYR  13           H        TYR  13  -8.476   4.490  -2.379
   81    HA   TYR  13           HA       TYR  13  -9.136   1.754  -2.274
   82   1HB   TYR  13          1HB       TYR  13  -7.241   2.650  -3.608
   83   2HB   TYR  13          2HB       TYR  13  -6.371   2.977  -2.112
   84    HD1  TYR  13           HD1      TYR  13  -8.324   0.056  -3.385
   85    HD2  TYR  13           HD2      TYR  13  -4.637   1.476  -1.816
   86    HE1  TYR  13           HE1      TYR  13  -7.448  -2.237  -3.390
   87    HE2  TYR  13           HE2      TYR  13  -3.746  -0.815  -1.817
   88    HH   TYR  13           HH       TYR  13  -4.397  -3.041  -1.903
   89    H    VAL  14           H        VAL  14  -7.196   3.760  -0.088
   90    HA   VAL  14           HA       VAL  14  -6.731   1.775   1.858
   91    HB   VAL  14           HB       VAL  14  -6.917   4.756   2.327
   92   1HG1  VAL  14          1HG1      VAL  14  -6.621   2.808   4.173
   93   2HG1  VAL  14          2HG1      VAL  14  -4.935   3.102   3.745
   94   3HG1  VAL  14          3HG1      VAL  14  -5.939   4.428   4.331
   95   1HG2  VAL  14          1HG2      VAL  14  -5.409   3.860   0.394
   96   2HG2  VAL  14          2HG2      VAL  14  -4.770   5.047   1.533
   97   3HG2  VAL  14          3HG2      VAL  14  -4.356   3.343   1.713
   98    H    ASN  15           H        ASN  15  -9.320   4.073   1.369
   99    HA   ASN  15           HA       ASN  15 -10.607   3.753   3.855
  100   1HB   ASN  15          1HB       ASN  15 -11.029   5.689   2.453
  101   2HB   ASN  15          2HB       ASN  15 -11.668   4.678   1.177
  102   2HD2  ASN  15          2HD2      ASN  15 -12.495   6.686   3.599
  103   1HD2  ASN  15          1HD2      ASN  15 -14.098   6.130   3.923
  104    H    LYS  16           H        LYS  16 -11.200   2.214   0.682
  105    HA   LYS  16           HA       LYS  16 -13.407   0.675   1.509
  106   1HB   LYS  16          1HB       LYS  16 -11.369   0.042  -0.641
  107   2HB   LYS  16          2HB       LYS  16 -12.911  -0.774  -0.437
  108   1HG   LYS  16          1HG       LYS  16 -14.025   1.434  -0.801
  109   2HG   LYS  16          2HG       LYS  16 -12.441   2.083  -1.221
  110   1HD   LYS  16          1HD       LYS  16 -13.556   1.514  -3.238
  111   2HD   LYS  16          2HD       LYS  16 -12.290   0.311  -2.971
  112   1HE   LYS  16          1HE       LYS  16 -14.470  -0.628  -3.685
  113   2HE   LYS  16          2HE       LYS  16 -13.873  -1.281  -2.168
  114   1HZ   LYS  16          1HZ       LYS  16 -15.684   1.021  -2.085
  115   2HZ   LYS  16          2HZ       LYS  16 -16.343  -0.496  -2.442
  116   3HZ   LYS  16          3HZ       LYS  16 -15.512  -0.256  -0.988
  117    H    ILE  17           H        ILE  17  -9.937   0.053   1.540
  118    HA   ILE  17           HA       ILE  17 -10.004  -2.626   2.361
  119    HB   ILE  17           HB       ILE  17  -7.952  -0.488   2.966
  120   1HG1  ILE  17          1HG1      ILE  17  -7.953  -2.648   0.847
  121   2HG1  ILE  17          2HG1      ILE  17  -8.390  -0.969   0.553
  122   1HG2  ILE  17          1HG2      ILE  17  -7.874  -2.451   4.504
  123   2HG2  ILE  17          2HG2      ILE  17  -7.598  -3.478   3.097
  124   3HG2  ILE  17          3HG2      ILE  17  -6.421  -2.237   3.530
  125   1HD1  ILE  17          1HD1      ILE  17  -5.751  -1.538   1.783
  126   2HD1  ILE  17          2HD1      ILE  17  -5.978  -1.875   0.066
  127   3HD1  ILE  17          3HD1      ILE  17  -6.239  -0.246   0.686
  128    H    LYS  18           H        LYS  18 -10.182   0.398   4.118
  129    HA   LYS  18           HA       LYS  18  -9.981  -0.664   6.731
  130   1HB   LYS  18          1HB       LYS  18  -9.675   1.756   6.033
  131   2HB   LYS  18          2HB       LYS  18 -11.423   1.857   5.906
  132   1HG   LYS  18          1HG       LYS  18 -11.686   1.406   8.248
  133   2HG   LYS  18          2HG       LYS  18  -9.956   1.109   8.423
  134   1HD   LYS  18          1HD       LYS  18 -10.558   3.337   9.229
  135   2HD   LYS  18          2HD       LYS  18  -9.489   3.432   7.828
  136   1HE   LYS  18          1HE       LYS  18 -11.287   5.063   7.664
  137   2HE   LYS  18          2HE       LYS  18 -11.414   3.856   6.386
  138   1HZ   LYS  18          1HZ       LYS  18 -12.881   3.164   8.758
  139   2HZ   LYS  18          2HZ       LYS  18 -13.419   4.602   8.046
  140   3HZ   LYS  18          3HZ       LYS  18 -13.382   3.173   7.142
  141    H    THR  19           H        THR  19 -12.782   0.312   4.774
  142    HA   THR  19           HA       THR  19 -14.718  -0.494   6.696
  143    HB   THR  19           HB       THR  19 -15.146   1.215   4.927
  144    HG1  THR  19           HG1      THR  19 -17.179  -0.378   4.262
  145   1HG2  THR  19          1HG2      THR  19 -14.027  -0.074   3.090
  146   2HG2  THR  19          2HG2      THR  19 -15.436  -1.134   3.059
  147   3HG2  THR  19          3HG2      THR  19 -15.611   0.578   2.672
  148    H    ARG  20           H        ARG  20 -13.072  -2.131   4.109
  149    HA   ARG  20           HA       ARG  20 -14.884  -4.257   3.747
  150   1HB   ARG  20          1HB       ARG  20 -13.175  -3.806   2.096
  151   2HB   ARG  20          2HB       ARG  20 -11.902  -4.105   3.276
  152   1HG   ARG  20          1HG       ARG  20 -12.244  -5.966   1.684
  153   2HG   ARG  20          2HG       ARG  20 -12.458  -6.436   3.372
  154   1HD   ARG  20          1HD       ARG  20 -14.882  -6.230   3.110
  155   2HD   ARG  20          2HD       ARG  20 -14.661  -5.787   1.418
  156    HE   ARG  20           HE       ARG  20 -13.400  -8.244   1.851
  157   1HH1  ARG  20          1HH1      ARG  20 -16.610  -6.889   1.825
  158   2HH1  ARG  20          2HH1      ARG  20 -17.369  -8.367   1.335
  159   1HH2  ARG  20          1HH2      ARG  20 -14.392 -10.194   1.205
  160   2HH2  ARG  20          2HH2      ARG  20 -16.109 -10.246   0.985
  161    H    PHE  21           H        PHE  21 -11.784  -4.237   5.495
  162    HA   PHE  21           HA       PHE  21 -12.607  -6.633   6.926
  163   1HB   PHE  21          1HB       PHE  21  -9.964  -5.169   6.928
  164   2HB   PHE  21          2HB       PHE  21 -10.284  -6.706   7.720
  165    HD1  PHE  21           HD1      PHE  21 -10.072  -5.036   4.424
  166    HD2  PHE  21           HD2      PHE  21 -10.178  -8.729   6.539
  167    HE1  PHE  21           HE1      PHE  21  -9.423  -6.229   2.372
  168    HE2  PHE  21           HE2      PHE  21  -9.515  -9.925   4.500
  169    HZ   PHE  21           HZ       PHE  21  -9.142  -8.677   2.406
  170    H    LEU  22           H        LEU  22 -14.086  -4.361   7.651
  171    HA   LEU  22           HA       LEU  22 -13.146  -2.905   9.824
  172   1HB   LEU  22          1HB       LEU  22 -15.914  -3.868   9.139
  173   2HB   LEU  22          2HB       LEU  22 -15.597  -2.862  10.535
  174    HG   LEU  22           HG       LEU  22 -14.990  -2.073   7.690
  175   1HD1  LEU  22          1HD1      LEU  22 -17.463  -2.192   8.997
  176   2HD1  LEU  22          2HD1      LEU  22 -16.986  -0.494   9.018
  177   3HD1  LEU  22          3HD1      LEU  22 -17.083  -1.365   7.486
  178   1HD2  LEU  22          1HD2      LEU  22 -14.633  -0.746  10.345
  179   2HD2  LEU  22          2HD2      LEU  22 -13.523  -0.833   8.978
  180   3HD2  LEU  22          3HD2      LEU  22 -14.933   0.223   8.902
  181    H    ASP  23           H        ASP  23 -14.402  -6.171   9.670
  182    HA   ASP  23           HA       ASP  23 -14.551  -6.539  12.504
  183   1HB   ASP  23          1HB       ASP  23 -15.940  -7.835  10.933
  184   2HB   ASP  23          2HB       ASP  23 -14.490  -8.600  10.294
  185    H    HIS  24           H        HIS  24 -12.196  -7.235   9.981
  186    HA   HIS  24           HA       HIS  24 -10.320  -8.254  11.981
  187   1HB   HIS  24          1HB       HIS  24 -10.359  -8.493   8.969
  188   2HB   HIS  24          2HB       HIS  24  -9.100  -9.125  10.009
  189    HD1  HIS  24           HD1      HIS  24 -10.278 -10.779  12.024
  190    HD2  HIS  24           HD2      HIS  24 -12.113 -10.421   8.313
  191    HE1  HIS  24           HE1      HIS  24 -11.785 -12.781  11.824
  192    HE2  HIS  24           HE2      HIS  24 -12.949 -12.499   9.608
  193    HA   PRO  25           HA       PRO  25  -8.918  -3.870  11.123
  194   1HB   PRO  25          1HB       PRO  25  -7.705  -3.668  13.568
  195   2HB   PRO  25          2HB       PRO  25  -9.364  -3.176  13.237
  196   1HG   PRO  25          1HG       PRO  25  -8.350  -5.723  14.442
  197   2HG   PRO  25          2HG       PRO  25  -9.746  -4.735  14.919
  198   1HD   PRO  25          1HD       PRO  25 -10.078  -6.970  13.496
  199   2HD   PRO  25          2HD       PRO  25 -11.061  -5.528  13.168
  200    H    GLU  26           H        GLU  26  -7.273  -6.669  12.479
  201    HA   GLU  26           HA       GLU  26  -4.635  -5.901  12.297
  202   1HB   GLU  26          1HB       GLU  26  -4.106  -8.296  12.033
  203   2HB   GLU  26          2HB       GLU  26  -5.304  -8.014  13.288
  204   1HG   GLU  26          1HG       GLU  26  -7.078  -8.672  11.743
  205   2HG   GLU  26          2HG       GLU  26  -5.874  -8.958  10.487
  206    H    ILE  27           H        ILE  27  -6.803  -6.936   9.744
  207    HA   ILE  27           HA       ILE  27  -4.899  -7.313   7.697
  208    HB   ILE  27           HB       ILE  27  -7.681  -6.289   7.208
  209   1HG1  ILE  27          1HG1      ILE  27  -7.678  -8.120   8.952
  210   2HG1  ILE  27          2HG1      ILE  27  -8.608  -8.462   7.504
  211   1HG2  ILE  27          1HG2      ILE  27  -5.611  -7.151   5.550
  212   2HG2  ILE  27          2HG2      ILE  27  -6.777  -8.475   5.563
  213   3HG2  ILE  27          3HG2      ILE  27  -7.290  -6.853   5.098
  214   1HD1  ILE  27          1HD1      ILE  27  -5.801  -9.412   7.637
  215   2HD1  ILE  27          2HD1      ILE  27  -7.037 -10.247   8.582
  216   3HD1  ILE  27          3HD1      ILE  27  -7.205 -10.115   6.828
  217    H    TYR  28           H        TYR  28  -6.898  -4.514   8.576
  218    HA   TYR  28           HA       TYR  28  -6.037  -2.765   6.557
  219   1HB   TYR  28          1HB       TYR  28  -8.009  -2.456   8.091
  220   2HB   TYR  28          2HB       TYR  28  -6.884  -2.016   9.360
  221    HD1  TYR  28           HD1      TYR  28  -6.918  -1.049   5.753
  222    HD2  TYR  28           HD2      TYR  28  -7.253   0.233   9.797
  223    HE1  TYR  28           HE1      TYR  28  -6.973   1.292   5.002
  224    HE2  TYR  28           HE2      TYR  28  -7.311   2.578   9.052
  225    HH   TYR  28           HH       TYR  28  -6.310   3.635   6.232
  226    H    ARG  29           H        ARG  29  -5.118  -2.848   9.959
  227    HA   ARG  29           HA       ARG  29  -3.110  -0.989   9.987
  228   1HB   ARG  29          1HB       ARG  29  -3.304  -3.572  11.531
  229   2HB   ARG  29          2HB       ARG  29  -2.213  -2.258  11.928
  230   1HG   ARG  29          1HG       ARG  29  -5.215  -2.064  11.857
  231   2HG   ARG  29          2HG       ARG  29  -4.236  -2.244  13.313
  232   1HD   ARG  29          1HD       ARG  29  -3.159  -0.114  12.886
  233   2HD   ARG  29          2HD       ARG  29  -4.037   0.052  11.366
  234    HE   ARG  29           HE       ARG  29  -5.756   0.926  12.564
  235   1HH1  ARG  29          1HH1      ARG  29  -3.912  -1.131  14.695
  236   2HH1  ARG  29          2HH1      ARG  29  -4.902  -0.796  16.076
  237   1HH2  ARG  29          1HH2      ARG  29  -7.054   1.370  14.376
  238   2HH2  ARG  29          2HH2      ARG  29  -6.685   0.625  15.896
  239    H    SER  30           H        SER  30  -2.668  -4.493   9.494
  240    HA   SER  30           HA       SER  30   0.068  -4.525   9.126
  241   1HB   SER  30          1HB       SER  30  -0.313  -6.590   7.759
  242   2HB   SER  30          2HB       SER  30  -1.166  -6.588   9.303
  243    HG   SER  30           HG       SER  30  -3.004  -5.760   8.036
  244    H    PHE  31           H        PHE  31  -2.420  -4.158   6.587
  245    HA   PHE  31           HA       PHE  31  -0.788  -3.912   4.376
  246   1HB   PHE  31          1HB       PHE  31  -3.156  -4.003   4.068
  247   2HB   PHE  31          2HB       PHE  31  -3.408  -2.565   5.051
  248    HD1  PHE  31           HD1      PHE  31  -1.610  -3.610   1.950
  249    HD2  PHE  31           HD2      PHE  31  -3.801  -0.580   3.982
  250    HE1  PHE  31           HE1      PHE  31  -1.538  -2.207  -0.071
  251    HE2  PHE  31           HE2      PHE  31  -3.737   0.824   1.963
  252    HZ   PHE  31           HZ       PHE  31  -2.605   0.012  -0.067
  253    H    LEU  32           H        LEU  32  -1.923  -1.336   6.539
  254    HA   LEU  32           HA       LEU  32  -0.644   0.810   5.307
  255   1HB   LEU  32          1HB       LEU  32  -1.113   0.494   8.270
  256   2HB   LEU  32          2HB       LEU  32  -0.962   1.996   7.381
  257    HG   LEU  32           HG       LEU  32  -3.223   0.012   7.132
  258   1HD1  LEU  32          1HD1      LEU  32  -2.754   2.155   8.955
  259   2HD1  LEU  32          2HD1      LEU  32  -4.107   2.569   7.902
  260   3HD1  LEU  32          3HD1      LEU  32  -4.143   1.074   8.837
  261   1HD2  LEU  32          1HD2      LEU  32  -2.309   2.121   5.393
  262   2HD2  LEU  32          2HD2      LEU  32  -3.577   0.922   5.141
  263   3HD2  LEU  32          3HD2      LEU  32  -3.944   2.431   5.975
  264    H    GLU  33           H        GLU  33   0.483  -1.447   7.771
  265    HA   GLU  33           HA       GLU  33   2.984  -0.222   8.258
  266   1HB   GLU  33          1HB       GLU  33   2.153  -3.120   8.559
  267   2HB   GLU  33          2HB       GLU  33   3.616  -2.412   9.228
  268   1HG   GLU  33          1HG       GLU  33   2.271  -0.922  10.613
  269   2HG   GLU  33          2HG       GLU  33   0.801  -1.623   9.941
  270    H    ILE  34           H        ILE  34   1.836  -2.411   5.764
  271    HA   ILE  34           HA       ILE  34   4.332  -3.321   4.828
  272    HB   ILE  34           HB       ILE  34   1.791  -2.877   3.268
  273   1HG1  ILE  34          1HG1      ILE  34   2.908  -5.340   4.624
  274   2HG1  ILE  34          2HG1      ILE  34   1.537  -4.391   5.189
  275   1HG2  ILE  34          1HG2      ILE  34   4.283  -3.325   2.234
  276   2HG2  ILE  34          2HG2      ILE  34   3.654  -4.965   2.399
  277   3HG2  ILE  34          3HG2      ILE  34   2.766  -3.771   1.452
  278   1HD1  ILE  34          1HD1      ILE  34   0.589  -4.926   2.822
  279   2HD1  ILE  34          2HD1      ILE  34   1.734  -6.264   2.905
  280   3HD1  ILE  34          3HD1      ILE  34   0.480  -6.101   4.132
  281    H    LEU  35           H        LEU  35   2.252  -0.669   3.672
  282    HA   LEU  35           HA       LEU  35   4.101   0.396   1.816
  283   1HB   LEU  35          1HB       LEU  35   1.910   1.813   3.355
  284   2HB   LEU  35          2HB       LEU  35   2.724   2.442   1.931
  285    HG   LEU  35           HG       LEU  35   1.074  -0.087   1.921
  286   1HD1  LEU  35          1HD1      LEU  35   0.302   2.761   1.685
  287   2HD1  LEU  35          2HD1      LEU  35  -0.419   1.635   0.534
  288   3HD1  LEU  35          3HD1      LEU  35  -0.624   1.377   2.267
  289   1HD2  LEU  35          1HD2      LEU  35   2.934   0.661   0.135
  290   2HD2  LEU  35          2HD2      LEU  35   1.466  -0.215  -0.303
  291   3HD2  LEU  35          3HD2      LEU  35   1.540   1.537  -0.502
  292    H    HIS  36           H        HIS  36   3.474   0.938   5.211
  293    HA   HIS  36           HA       HIS  36   5.142   3.132   5.682
  294   1HB   HIS  36          1HB       HIS  36   3.842   1.024   7.302
  295   2HB   HIS  36          2HB       HIS  36   5.205   1.826   8.058
  296    HD1  HIS  36           HD1      HIS  36   4.877   4.686   7.488
  297    HD2  HIS  36           HD2      HIS  36   1.599   2.225   8.156
  298    HE1  HIS  36           HE1      HIS  36   3.021   6.224   8.205
  299    HE2  HIS  36           HE2      HIS  36   1.035   4.716   8.577
  300    H    THR  37           H        THR  37   5.797  -0.343   5.757
  301    HA   THR  37           HA       THR  37   8.439  -0.202   6.715
  302    HB   THR  37           HB       THR  37   7.226  -2.299   4.896
  303    HG1  THR  37           HG1      THR  37   7.556  -2.826   7.591
  304   1HG2  THR  37          1HG2      THR  37   9.875  -1.971   5.968
  305   2HG2  THR  37          2HG2      THR  37   9.124  -3.421   6.634
  306   3HG2  THR  37          3HG2      THR  37   9.256  -3.218   4.887
  307    H    TYR  38           H        TYR  38   7.054  -0.062   3.485
  308    HA   TYR  38           HA       TYR  38   9.327  -0.230   1.912
  309   1HB   TYR  38          1HB       TYR  38   7.177  -0.197   0.877
  310   2HB   TYR  38          2HB       TYR  38   6.781   1.358   1.588
  311    HD1  TYR  38           HD1      TYR  38   9.379  -0.136  -0.654
  312    HD2  TYR  38           HD2      TYR  38   6.899   3.201   0.240
  313    HE1  TYR  38           HE1      TYR  38  10.204   1.007  -2.671
  314    HE2  TYR  38           HE2      TYR  38   7.717   4.356  -1.773
  315    HH   TYR  38           HH       TYR  38  10.397   3.615  -3.358
  316    H    GLN  39           H        GLN  39   7.730   2.722   3.067
  317    HA   GLN  39           HA       GLN  39   9.703   4.508   2.197
  318   1HB   GLN  39          1HB       GLN  39   7.630   4.738   4.363
  319   2HB   GLN  39          2HB       GLN  39   8.683   6.072   3.900
  320   1HG   GLN  39          1HG       GLN  39   6.812   4.628   2.041
  321   2HG   GLN  39          2HG       GLN  39   6.481   6.167   2.829
  322   2HE2  GLN  39          2HE2      GLN  39   6.922   7.910   1.710
  323   1HE2  GLN  39          1HE2      GLN  39   8.040   8.026   0.401
  324    H    LYS  40           H        LYS  40   9.315   2.883   5.325
  325    HA   LYS  40           HA       LYS  40  11.308   4.236   6.731
  326   1HB   LYS  40          1HB       LYS  40  10.341   1.389   6.996
  327   2HB   LYS  40          2HB       LYS  40  11.417   2.167   8.146
  328   1HG   LYS  40          1HG       LYS  40   9.713   3.823   8.653
  329   2HG   LYS  40          2HG       LYS  40   8.633   3.091   7.463
  330   1HD   LYS  40          1HD       LYS  40   8.625   1.010   8.751
  331   2HD   LYS  40          2HD       LYS  40   9.713   1.737   9.934
  332   1HE   LYS  40          1HE       LYS  40   6.928   2.690   9.272
  333   2HE   LYS  40          2HE       LYS  40   7.392   1.773  10.705
  334   1HZ   LYS  40          1HZ       LYS  40   9.078   3.805  10.888
  335   2HZ   LYS  40          2HZ       LYS  40   7.809   4.585  10.088
  336   3HZ   LYS  40          3HZ       LYS  40   7.533   3.833  11.577
  337    H    GLU  41           H        GLU  41  11.548   1.277   4.779
  338    HA   GLU  41           HA       GLU  41  14.298   0.845   5.256
  339   1HB   GLU  41          1HB       GLU  41  12.564  -0.067   2.955
  340   2HB   GLU  41          2HB       GLU  41  14.172  -0.683   3.311
  341   1HG   GLU  41          1HG       GLU  41  11.767  -0.901   5.108
  342   2HG   GLU  41          2HG       GLU  41  12.432  -2.189   4.104
  343    H    GLN  42           H        GLN  42  12.588   2.397   2.551
  344    HA   GLN  42           HA       GLN  42  14.836   2.949   0.979
  345   1HB   GLN  42          1HB       GLN  42  12.531   3.114   0.148
  346   2HB   GLN  42          2HB       GLN  42  12.253   4.505   1.186
  347   1HG   GLN  42          1HG       GLN  42  13.946   5.764  -0.041
  348   2HG   GLN  42          2HG       GLN  42  14.231   4.369  -1.078
  349   2HE2  GLN  42          2HE2      GLN  42  11.026   4.323  -0.406
  350   1HE2  GLN  42          1HE2      GLN  42  10.428   5.215  -1.757
  351    H    LEU  43           H        LEU  43  13.192   5.000   3.378
  352    HA   LEU  43           HA       LEU  43  14.872   7.228   3.107
  353   1HB   LEU  43          1HB       LEU  43  13.293   6.301   5.495
  354   2HB   LEU  43          2HB       LEU  43  14.036   7.880   5.348
  355    HG   LEU  43           HG       LEU  43  11.877   6.823   3.525
  356   1HD1  LEU  43          1HD1      LEU  43  11.182   7.242   5.903
  357   2HD1  LEU  43          2HD1      LEU  43  11.632   8.931   5.660
  358   3HD1  LEU  43          3HD1      LEU  43  10.343   8.213   4.692
  359   1HD2  LEU  43          1HD2      LEU  43  13.722   8.895   3.155
  360   2HD2  LEU  43          2HD2      LEU  43  12.264   8.574   2.216
  361   3HD2  LEU  43          3HD2      LEU  43  12.203   9.675   3.592
  362    H    HIS  44           H        HIS  44  16.800   7.767   3.945
  363    HA   HIS  44           HA       HIS  44  18.688   7.737   5.215
  364   1HB   HIS  44          1HB       HIS  44  17.493   5.311   6.583
  365   2HB   HIS  44          2HB       HIS  44  18.983   6.118   7.058
  366    HD1  HIS  44           HD1      HIS  44  17.263   6.094   9.313
  367    HD2  HIS  44           HD2      HIS  44  16.630   8.901   6.315
  368    HE1  HIS  44           HE1      HIS  44  15.920   7.930  10.383
  369    HE2  HIS  44           HE2      HIS  44  15.526   9.606   8.544
  370    H    THR  45           H        THR  45  20.449   7.205   4.170
  371    HA   THR  45           HA       THR  45  20.448   5.134   2.289
  372    HB   THR  45           HB       THR  45  22.868   5.646   1.987
  373    HG1  THR  45           HG1      THR  45  22.602   6.617   4.461
  374   1HG2  THR  45          1HG2      THR  45  20.765   7.099   1.202
  375   2HG2  THR  45          2HG2      THR  45  21.589   8.314   2.181
  376   3HG2  THR  45          3HG2      THR  45  22.426   7.555   0.827
  377    H    LYS  46           H        LYS  46  23.392   4.452   3.038
  378    HA   LYS  46           HA       LYS  46  24.466   2.669   3.941
  379   1HB   LYS  46          1HB       LYS  46  22.654   3.504   6.179
  380   2HB   LYS  46          2HB       LYS  46  23.702   2.105   6.355
  381   1HG   LYS  46          1HG       LYS  46  24.760   4.035   7.320
  382   2HG   LYS  46          2HG       LYS  46  25.649   3.543   5.879
  383   1HD   LYS  46          1HD       LYS  46  24.533   5.298   4.591
  384   2HD   LYS  46          2HD       LYS  46  23.636   5.786   6.030
  385   1HE   LYS  46          1HE       LYS  46  25.538   7.255   5.667
  386   2HE   LYS  46          2HE       LYS  46  25.741   6.330   7.153
  387   1HZ   LYS  46          1HZ       LYS  46  26.878   5.159   4.746
  388   2HZ   LYS  46          2HZ       LYS  46  27.634   6.561   5.314
  389   3HZ   LYS  46          3HZ       LYS  46  27.493   5.210   6.322
  390    H    GLY  47           H        GLY  47  23.038   1.656   2.115
  391   1HA   GLY  47          1HA       GLY  47  20.819   0.143   2.425
  392   2HA   GLY  47          2HA       GLY  47  22.057  -0.840   3.194
  393    H    ARG  48           H        ARG  48  22.138  -2.499   1.761
  394    HA   ARG  48           HA       ARG  48  23.778  -2.365  -0.458
  395   1HB   ARG  48          1HB       ARG  48  21.547  -4.353   0.000
  396   2HB   ARG  48          2HB       ARG  48  22.939  -4.582  -1.046
  397   1HG   ARG  48          1HG       ARG  48  24.421  -4.539   0.874
  398   2HG   ARG  48          2HG       ARG  48  23.046  -4.243   1.941
  399   1HD   ARG  48          1HD       ARG  48  22.064  -6.391   1.214
  400   2HD   ARG  48          2HD       ARG  48  23.503  -6.690   0.240
  401    HE   ARG  48           HE       ARG  48  24.311  -6.198   2.870
  402   1HH1  ARG  48          1HH1      ARG  48  22.555  -8.588   1.040
  403   2HH1  ARG  48          2HH1      ARG  48  22.975  -9.895   2.097
  404   1HH2  ARG  48          1HH2      ARG  48  24.868  -7.912   4.268
  405   2HH2  ARG  48          2HH2      ARG  48  24.290  -9.510   3.932
  406    HA   PRO  49           HA       PRO  49  21.262  -0.472  -3.584
  407   1HB   PRO  49          1HB       PRO  49  22.627  -1.324  -5.780
  408   2HB   PRO  49          2HB       PRO  49  23.204  -0.029  -4.727
  409   1HG   PRO  49          1HG       PRO  49  23.992  -2.917  -4.784
  410   2HG   PRO  49          2HG       PRO  49  25.017  -1.479  -4.614
  411   1HD   PRO  49          1HD       PRO  49  24.302  -3.001  -2.500
  412   2HD   PRO  49          2HD       PRO  49  24.537  -1.245  -2.370
  413    H    PHE  50           H        PHE  50  19.336  -1.151  -4.252
  414    HA   PHE  50           HA       PHE  50  17.627  -2.498  -4.924
  415   1HB   PHE  50          1HB       PHE  50  19.024  -2.255  -7.020
  416   2HB   PHE  50          2HB       PHE  50  19.709  -3.831  -6.650
  417    HD1  PHE  50           HD1      PHE  50  16.244  -2.439  -6.606
  418    HD2  PHE  50           HD2      PHE  50  18.888  -5.442  -8.055
  419    HE1  PHE  50           HE1      PHE  50  14.366  -3.526  -7.767
  420    HE2  PHE  50           HE2      PHE  50  17.014  -6.533  -9.221
  421    HZ   PHE  50           HZ       PHE  50  14.751  -5.575  -9.077
  422    H    ARG  51           H        ARG  51  18.643  -3.300  -2.582
  423    HA   ARG  51           HA       ARG  51  18.143  -6.159  -2.632
  424   1HB   ARG  51          1HB       ARG  51  20.650  -4.894  -1.551
  425   2HB   ARG  51          2HB       ARG  51  20.097  -6.474  -1.035
  426   1HG   ARG  51          1HG       ARG  51  20.665  -5.734  -3.880
  427   2HG   ARG  51          2HG       ARG  51  21.807  -6.539  -2.800
  428   1HD   ARG  51          1HD       ARG  51  20.255  -8.404  -2.538
  429   2HD   ARG  51          2HD       ARG  51  19.098  -7.596  -3.596
  430    HE   ARG  51           HE       ARG  51  21.495  -7.844  -4.994
  431   1HH1  ARG  51          1HH1      ARG  51  19.033  -9.896  -3.632
  432   2HH1  ARG  51          2HH1      ARG  51  19.255 -11.158  -4.797
  433   1HH2  ARG  51          1HH2      ARG  51  21.797  -9.496  -6.535
  434   2HH2  ARG  51          2HH2      ARG  51  20.829 -10.930  -6.449
  435    H    GLY  52           H        GLY  52  16.256  -4.674  -1.827
  436   1HA   GLY  52          1HA       GLY  52  16.047  -3.419   0.556
  437   2HA   GLY  52          2HA       GLY  52  16.119  -5.104   1.033
  438    H    MET  53           H        MET  53  14.174  -2.579   0.008
  439    HA   MET  53           HA       MET  53  11.964  -4.366  -0.711
  440   1HB   MET  53          1HB       MET  53  11.908  -3.888   1.721
  441   2HB   MET  53          2HB       MET  53  11.789  -2.175   1.354
  442   1HG   MET  53          1HG       MET  53   9.669  -2.555   0.207
  443   2HG   MET  53          2HG       MET  53   9.780  -4.276   0.573
  444   1HE   MET  53          1HE       MET  53   7.254  -2.588   1.230
  445   2HE   MET  53          2HE       MET  53   7.350  -4.266   1.764
  446   3HE   MET  53          3HE       MET  53   6.878  -3.004   2.903
  447    H    SER  54           H        SER  54  10.427  -3.503  -2.054
  448    HA   SER  54           HA       SER  54  10.333  -0.709  -2.682
  449   1HB   SER  54          1HB       SER  54  10.938  -0.952  -5.071
  450   2HB   SER  54          2HB       SER  54  12.296  -1.322  -4.009
  451    HG   SER  54           HG       SER  54  11.440  -3.599  -4.255
  452    H    GLU  55           H        GLU  55   9.233  -1.164  -5.345
  453    HA   GLU  55           HA       GLU  55   6.547  -1.566  -4.671
  454   1HB   GLU  55          1HB       GLU  55   7.863  -1.744  -7.385
  455   2HB   GLU  55          2HB       GLU  55   6.136  -1.580  -7.101
  456   1HG   GLU  55          1HG       GLU  55   6.504   0.587  -6.052
  457   2HG   GLU  55          2HG       GLU  55   8.239   0.421  -6.307
  458    H    GLU  56           H        GLU  56   8.994  -3.790  -5.829
  459    HA   GLU  56           HA       GLU  56   7.323  -5.893  -6.618
  460   1HB   GLU  56          1HB       GLU  56   9.319  -7.329  -6.327
  461   2HB   GLU  56          2HB       GLU  56   9.643  -5.869  -7.251
  462   1HG   GLU  56          1HG       GLU  56  10.629  -4.833  -5.273
  463   2HG   GLU  56          2HG       GLU  56  10.304  -6.298  -4.346
  464    H    GLU  57           H        GLU  57   8.952  -5.385  -3.467
  465    HA   GLU  57           HA       GLU  57   7.751  -7.704  -2.323
  466   1HB   GLU  57          1HB       GLU  57   9.868  -6.929  -1.464
  467   2HB   GLU  57          2HB       GLU  57   9.163  -5.380  -1.015
  468   1HG   GLU  57          1HG       GLU  57   7.909  -6.326   0.723
  469   2HG   GLU  57          2HG       GLU  57   8.161  -7.968   0.125
  470    H    VAL  58           H        VAL  58   7.038  -4.226  -2.066
  471    HA   VAL  58           HA       VAL  58   5.069  -4.328  -0.118
  472    HB   VAL  58           HB       VAL  58   5.094  -2.548  -2.567
  473   1HG1  VAL  58          1HG1      VAL  58   2.907  -2.654  -1.409
  474   2HG1  VAL  58          2HG1      VAL  58   3.701  -2.127   0.075
  475   3HG1  VAL  58          3HG1      VAL  58   3.658  -1.060  -1.329
  476   1HG2  VAL  58          1HG2      VAL  58   7.125  -2.533  -1.027
  477   2HG2  VAL  58          2HG2      VAL  58   6.335  -0.985  -1.324
  478   3HG2  VAL  58          3HG2      VAL  58   6.054  -1.841   0.192
  479    H    PHE  59           H        PHE  59   4.803  -4.864  -3.597
  480    HA   PHE  59           HA       PHE  59   2.016  -5.225  -3.714
  481   1HB   PHE  59          1HB       PHE  59   3.341  -4.827  -5.715
  482   2HB   PHE  59          2HB       PHE  59   4.223  -6.327  -5.466
  483    HD1  PHE  59           HD1      PHE  59   0.566  -5.603  -5.317
  484    HD2  PHE  59           HD2      PHE  59   3.733  -7.691  -7.249
  485    HE1  PHE  59           HE1      PHE  59  -1.073  -6.797  -6.711
  486    HE2  PHE  59           HE2      PHE  59   2.098  -8.886  -8.643
  487    HZ   PHE  59           HZ       PHE  59  -0.308  -8.441  -8.375
  488    H    THR  60           H        THR  60   4.669  -7.384  -2.974
  489    HA   THR  60           HA       THR  60   3.243  -9.818  -3.101
  490    HB   THR  60           HB       THR  60   5.760  -9.068  -1.612
  491    HG1  THR  60           HG1      THR  60   6.765 -10.023  -3.372
  492   1HG2  THR  60          1HG2      THR  60   4.157 -11.411  -1.322
  493   2HG2  THR  60          2HG2      THR  60   5.660 -11.848  -2.134
  494   3HG2  THR  60          3HG2      THR  60   5.707 -11.031  -0.571
  495    H    GLU  61           H        GLU  61   4.261  -7.930  -0.244
  496    HA   GLU  61           HA       GLU  61   3.010  -9.477   1.684
  497   1HB   GLU  61          1HB       GLU  61   3.541  -6.503   1.724
  498   2HB   GLU  61          2HB       GLU  61   3.157  -7.481   3.132
  499   1HG   GLU  61          1HG       GLU  61   5.574  -7.852   1.378
  500   2HG   GLU  61          2HG       GLU  61   5.556  -6.992   2.917
  501    H    VAL  62           H        VAL  62   1.758  -6.666  -0.090
  502    HA   VAL  62           HA       VAL  62  -0.714  -6.522   1.266
  503    HB   VAL  62           HB       VAL  62  -0.052  -5.659  -1.559
  504   1HG1  VAL  62          1HG1      VAL  62  -2.394  -5.023   0.226
  505   2HG1  VAL  62          2HG1      VAL  62  -1.987  -4.103  -1.221
  506   3HG1  VAL  62          3HG1      VAL  62  -2.424  -5.806  -1.354
  507   1HG2  VAL  62          1HG2      VAL  62   1.080  -4.720   0.708
  508   2HG2  VAL  62          2HG2      VAL  62   0.813  -3.746  -0.739
  509   3HG2  VAL  62          3HG2      VAL  62  -0.337  -3.676   0.597
  510    H    ALA  63           H        ALA  63   0.327  -8.241  -1.655
  511    HA   ALA  63           HA       ALA  63  -2.180  -9.242  -2.435
  512   1HB   ALA  63          1HB       ALA  63  -0.706 -11.121  -3.453
  513   2HB   ALA  63          2HB       ALA  63   0.641 -10.121  -2.910
  514   3HB   ALA  63          3HB       ALA  63  -0.534  -9.472  -4.053
  515    H    ASN  64           H        ASN  64   0.301 -10.527  -0.282
  516    HA   ASN  64           HA       ASN  64  -0.906 -12.996   0.293
  517   1HB   ASN  64          1HB       ASN  64   1.044 -11.264   1.808
  518   2HB   ASN  64          2HB       ASN  64   0.507 -12.830   2.417
  519   2HD2  ASN  64          2HD2      ASN  64   2.923 -11.352   0.853
  520   1HD2  ASN  64          1HD2      ASN  64   3.534 -12.663  -0.092
  521    H    LEU  65           H        LEU  65  -1.222  -9.815   1.767
  522    HA   LEU  65           HA       LEU  65  -2.789 -10.529   3.987
  523   1HB   LEU  65          1HB       LEU  65  -1.954  -8.128   2.605
  524   2HB   LEU  65          2HB       LEU  65  -3.603  -7.989   3.176
  525    HG   LEU  65           HG       LEU  65  -1.235  -8.679   4.909
  526   1HD1  LEU  65          1HD1      LEU  65  -2.104  -6.212   3.823
  527   2HD1  LEU  65          2HD1      LEU  65  -2.458  -6.204   5.552
  528   3HD1  LEU  65          3HD1      LEU  65  -0.813  -6.506   4.990
  529   1HD2  LEU  65          1HD2      LEU  65  -3.736  -9.391   5.433
  530   2HD2  LEU  65          2HD2      LEU  65  -2.659  -8.789   6.692
  531   3HD2  LEU  65          3HD2      LEU  65  -3.844  -7.711   5.954
  532    H    PHE  66           H        PHE  66  -3.844  -8.899   1.025
  533    HA   PHE  66           HA       PHE  66  -6.606  -9.459   1.492
  534   1HB   PHE  66          1HB       PHE  66  -5.254  -8.437  -1.010
  535   2HB   PHE  66          2HB       PHE  66  -6.973  -8.356  -0.657
  536    HD1  PHE  66           HD1      PHE  66  -5.802  -7.732   2.427
  537    HD2  PHE  66           HD2      PHE  66  -5.722  -5.947  -1.439
  538    HE1  PHE  66           HE1      PHE  66  -5.477  -5.524   3.457
  539    HE2  PHE  66           HE2      PHE  66  -5.398  -3.737  -0.411
  540    HZ   PHE  66           HZ       PHE  66  -5.274  -3.524   2.039
  541    H    ARG  67           H        ARG  67  -5.227 -11.896   1.448
  542    HA   ARG  67           HA       ARG  67  -5.251 -13.196  -1.038
  543   1HB   ARG  67          1HB       ARG  67  -4.094 -14.082   0.952
  544   2HB   ARG  67          2HB       ARG  67  -5.649 -14.385   1.715
  545   1HG   ARG  67          1HG       ARG  67  -6.202 -15.991  -0.040
  546   2HG   ARG  67          2HG       ARG  67  -4.643 -15.683  -0.809
  547   1HD   ARG  67          1HD       ARG  67  -3.504 -16.474   1.217
  548   2HD   ARG  67          2HD       ARG  67  -5.068 -16.807   1.958
  549    HE   ARG  67           HE       ARG  67  -5.050 -18.793   0.856
  550   1HH1  ARG  67          1HH1      ARG  67  -3.107 -16.538  -0.962
  551   2HH1  ARG  67          2HH1      ARG  67  -2.687 -17.690  -2.185
  552   1HH2  ARG  67          1HH2      ARG  67  -4.501 -20.311  -0.752
  553   2HH2  ARG  67          2HH2      ARG  67  -3.481 -19.832  -2.068
  554    H    GLY  68           H        GLY  68  -6.820 -14.121  -2.220
  555   1HA   GLY  68          1HA       GLY  68  -9.405 -14.743  -1.069
  556   2HA   GLY  68          2HA       GLY  68  -8.911 -15.010  -2.736
  557    H    GLN  69           H        GLN  69  -8.930 -12.042  -0.776
  558    HA   GLN  69           HA       GLN  69 -11.132 -10.942  -2.297
  559   1HB   GLN  69          1HB       GLN  69  -9.415  -9.789  -0.093
  560   2HB   GLN  69          2HB       GLN  69 -10.743  -8.926  -0.853
  561   1HG   GLN  69          1HG       GLN  69 -11.529  -9.809   1.202
  562   2HG   GLN  69          2HG       GLN  69 -12.266 -10.741  -0.098
  563   2HE2  GLN  69          2HE2      GLN  69 -10.556 -10.875   2.781
  564   1HE2  GLN  69          1HE2      GLN  69 -10.135 -12.550   2.754
  565    H    GLU  70           H        GLU  70  -9.203 -11.509  -4.070
  566    HA   GLU  70           HA       GLU  70  -7.272  -9.513  -4.506
  567   1HB   GLU  70          1HB       GLU  70  -8.550 -11.444  -6.439
  568   2HB   GLU  70          2HB       GLU  70  -7.148 -10.448  -6.808
  569   1HG   GLU  70          1HG       GLU  70  -5.853 -11.551  -5.112
  570   2HG   GLU  70          2HG       GLU  70  -7.263 -12.467  -4.585
  571    H    ASP  71           H        ASP  71 -10.448  -8.926  -4.438
  572    HA   ASP  71           HA       ASP  71 -10.904  -7.549  -6.877
  573   1HB   ASP  71          1HB       ASP  71 -12.787  -6.463  -5.631
  574   2HB   ASP  71          2HB       ASP  71 -12.808  -8.221  -5.583
  575    H    LEU  72           H        LEU  72  -9.831  -6.529  -3.669
  576    HA   LEU  72           HA       LEU  72  -9.481  -3.779  -4.380
  577   1HB   LEU  72          1HB       LEU  72  -8.381  -5.407  -2.083
  578   2HB   LEU  72          2HB       LEU  72  -8.219  -3.668  -2.231
  579    HG   LEU  72           HG       LEU  72 -10.896  -5.042  -2.103
  580   1HD1  LEU  72          1HD1      LEU  72  -9.150  -4.015   0.120
  581   2HD1  LEU  72          2HD1      LEU  72 -10.889  -4.256   0.289
  582   3HD1  LEU  72          3HD1      LEU  72  -9.838  -5.629  -0.068
  583   1HD2  LEU  72          1HD2      LEU  72 -10.494  -2.611  -2.975
  584   2HD2  LEU  72          2HD2      LEU  72 -11.808  -2.933  -1.845
  585   3HD2  LEU  72          3HD2      LEU  72 -10.298  -2.234  -1.264
  586    H    LEU  73           H        LEU  73  -7.514  -6.664  -4.316
  587    HA   LEU  73           HA       LEU  73  -4.959  -5.712  -4.497
  588   1HB   LEU  73          1HB       LEU  73  -6.287  -8.120  -4.738
  589   2HB   LEU  73          2HB       LEU  73  -5.521  -7.925  -6.286
  590    HG   LEU  73           HG       LEU  73  -4.020  -9.191  -4.973
  591   1HD1  LEU  73          1HD1      LEU  73  -3.099  -6.323  -4.896
  592   2HD1  LEU  73          2HD1      LEU  73  -2.065  -7.743  -4.736
  593   3HD1  LEU  73          3HD1      LEU  73  -2.917  -7.439  -6.250
  594   1HD2  LEU  73          1HD2      LEU  73  -5.265  -8.116  -2.844
  595   2HD2  LEU  73          2HD2      LEU  73  -3.747  -9.010  -2.750
  596   3HD2  LEU  73          3HD2      LEU  73  -3.732  -7.245  -2.787
  597    H    SER  74           H        SER  74  -7.318  -6.196  -7.081
  598    HA   SER  74           HA       SER  74  -5.719  -5.633  -9.278
  599   1HB   SER  74          1HB       SER  74  -8.007  -6.537  -9.425
  600   2HB   SER  74          2HB       SER  74  -8.650  -4.980  -8.903
  601    HG   SER  74           HG       SER  74  -7.085  -5.390 -11.236
  602    H    GLU  75           H        GLU  75  -7.500  -3.441  -7.150
  603    HA   GLU  75           HA       GLU  75  -7.022  -1.080  -8.616
  604   1HB   GLU  75          1HB       GLU  75  -7.537  -1.468  -5.662
  605   2HB   GLU  75          2HB       GLU  75  -7.586   0.080  -6.491
  606   1HG   GLU  75          1HG       GLU  75  -9.414  -0.755  -7.906
  607   2HG   GLU  75          2HG       GLU  75  -9.381  -2.278  -7.020
  608    H    PHE  76           H        PHE  76  -5.289  -2.583  -5.916
  609    HA   PHE  76           HA       PHE  76  -3.344  -0.620  -5.518
  610   1HB   PHE  76          1HB       PHE  76  -3.748  -2.521  -3.995
  611   2HB   PHE  76          2HB       PHE  76  -3.070  -3.616  -5.189
  612    HD1  PHE  76           HD1      PHE  76  -1.793  -0.272  -4.184
  613    HD2  PHE  76           HD2      PHE  76  -1.222  -4.491  -4.087
  614    HE1  PHE  76           HE1      PHE  76   0.439   0.056  -3.203
  615    HE2  PHE  76           HE2      PHE  76   1.010  -4.170  -3.106
  616    HZ   PHE  76           HZ       PHE  76   1.844  -1.895  -2.664
  617    H    GLY  77           H        GLY  77  -3.367  -3.415  -7.684
  618   1HA   GLY  77          1HA       GLY  77  -2.011  -4.021  -9.430
  619   2HA   GLY  77          2HA       GLY  77  -0.739  -3.076  -8.677
  620    H    GLN  78           H        GLN  78  -3.726  -1.506  -9.497
  621    HA   GLN  78           HA       GLN  78  -3.473  -0.807 -12.111
  622   1HB   GLN  78          1HB       GLN  78  -4.319   0.990  -9.835
  623   2HB   GLN  78          2HB       GLN  78  -4.593   1.343 -11.536
  624   1HG   GLN  78          1HG       GLN  78  -5.671  -1.059 -10.081
  625   2HG   GLN  78          2HG       GLN  78  -6.570   0.421 -10.399
  626   2HE2  GLN  78          2HE2      GLN  78  -7.893   0.264 -12.041
  627   1HE2  GLN  78          1HE2      GLN  78  -7.661  -0.697 -13.456
  628    H    PHE  79           H        PHE  79  -1.996   1.035  -9.422
  629    HA   PHE  79           HA       PHE  79  -0.510   2.695 -11.231
  630   1HB   PHE  79          1HB       PHE  79  -0.410   2.356  -8.232
  631   2HB   PHE  79          2HB       PHE  79   0.625   3.480  -9.107
  632    HD1  PHE  79           HD1      PHE  79  -3.012   2.622  -9.293
  633    HD2  PHE  79           HD2      PHE  79  -0.051   5.641  -8.802
  634    HE1  PHE  79           HE1      PHE  79  -4.777   4.331  -9.193
  635    HE2  PHE  79           HE2      PHE  79  -1.813   7.355  -8.699
  636    HZ   PHE  79           HZ       PHE  79  -4.180   6.702  -8.895
  637    H    LEU  80           H        LEU  80   0.158  -0.109  -9.227
  638    HA   LEU  80           HA       LEU  80   2.944  -0.187  -9.501
  639   1HB   LEU  80          1HB       LEU  80   1.079  -2.546  -9.254
  640   2HB   LEU  80          2HB       LEU  80   2.780  -2.510  -8.837
  641    HG   LEU  80           HG       LEU  80   0.588  -0.984  -7.429
  642   1HD1  LEU  80          1HD1      LEU  80   0.997  -3.603  -7.210
  643   2HD1  LEU  80          2HD1      LEU  80   2.231  -3.042  -6.083
  644   3HD1  LEU  80          3HD1      LEU  80   0.544  -2.594  -5.838
  645   1HD2  LEU  80          1HD2      LEU  80   3.556  -1.128  -6.939
  646   2HD2  LEU  80          2HD2      LEU  80   2.596   0.302  -7.318
  647   3HD2  LEU  80          3HD2      LEU  80   2.391  -0.512  -5.767
  648    HA   PRO  81           HA       PRO  81   3.809  -1.355 -13.665
  649   1HB   PRO  81          1HB       PRO  81   5.638  -3.402 -13.228
  650   2HB   PRO  81          2HB       PRO  81   6.025  -1.682 -13.288
  651   1HG   PRO  81          1HG       PRO  81   5.573  -3.443 -10.920
  652   2HG   PRO  81          2HG       PRO  81   6.749  -2.134 -11.138
  653   1HD   PRO  81          1HD       PRO  81   4.528  -1.777  -9.688
  654   2HD   PRO  81          2HD       PRO  81   5.171  -0.480 -10.719
  655    H    GLU  82           H        GLU  82   2.930  -2.683 -15.141
  656    HA   GLU  82           HA       GLU  82   1.027  -4.596 -14.451
  657   1HB   GLU  82          1HB       GLU  82   2.512  -4.311 -17.068
  658   2HB   GLU  82          2HB       GLU  82   1.008  -5.190 -16.836
  659   1HG   GLU  82          1HG       GLU  82   1.372  -2.234 -16.404
  660   2HG   GLU  82          2HG       GLU  82   0.678  -2.977 -17.844
  661    H    ALA  83           H        ALA  83   4.410  -4.992 -15.388
  662    HA   ALA  83           HA       ALA  83   4.508  -7.742 -15.713
  663   1HB   ALA  83          1HB       ALA  83   6.427  -6.605 -16.349
  664   2HB   ALA  83          2HB       ALA  83   6.935  -7.449 -14.886
  665   3HB   ALA  83          3HB       ALA  83   6.538  -5.733 -14.821
  666    H    LYS  84           H        LYS  84   4.877  -9.483 -14.375
  667    HA   LYS  84           HA       LYS  84   5.292  -9.203 -11.554
  668   1HB   LYS  84          1HB       LYS  84   2.934  -8.706 -11.538
  669   2HB   LYS  84          2HB       LYS  84   2.587 -10.083 -12.574
  670   1HG   LYS  84          1HG       LYS  84   3.388 -11.577 -10.758
  671   2HG   LYS  84          2HG       LYS  84   3.551 -10.158  -9.724
  672   1HD   LYS  84          1HD       LYS  84   1.172  -9.703  -9.939
  673   2HD   LYS  84          2HD       LYS  84   0.991 -11.074 -11.036
  674   1HE   LYS  84          1HE       LYS  84   1.850 -11.201  -8.147
  675   2HE   LYS  84          2HE       LYS  84   0.268 -11.652  -8.779
  676   1HZ   LYS  84          1HZ       LYS  84   2.262 -13.033 -10.204
  677   2HZ   LYS  84          2HZ       LYS  84   2.535 -13.250  -8.550
  678   3HZ   LYS  84          3HZ       LYS  84   1.038 -13.665  -9.222
  679    H    ARG  85           H        ARG  85   3.754 -11.508 -13.810
  680    HA   ARG  85           HA       ARG  85   4.114 -13.720 -14.202
  681   1HB   ARG  85          1HB       ARG  85   6.967 -12.886 -13.655
  682   2HB   ARG  85          2HB       ARG  85   6.494 -14.413 -14.387
  683   1HG   ARG  85          1HG       ARG  85   5.471 -13.177 -16.252
  684   2HG   ARG  85          2HG       ARG  85   6.021 -11.666 -15.527
  685   1HD   ARG  85          1HD       ARG  85   7.537 -12.407 -17.293
  686   2HD   ARG  85          2HD       ARG  85   8.337 -12.401 -15.721
  687    HE   ARG  85           HE       ARG  85   7.307 -14.960 -16.164
  688   1HH1  ARG  85          1HH1      ARG  85   9.744 -12.838 -17.467
  689   2HH1  ARG  85          2HH1      ARG  85  10.773 -14.130 -17.988
  690   1HH2  ARG  85          1HH2      ARG  85   8.652 -16.666 -16.850
  691   2HH2  ARG  85          2HH2      ARG  85  10.149 -16.306 -17.643
  692    H1   ASN   1           H1       ASN   1   1.303   7.628  -5.755
  693    H2   ASN   1           H2       ASN   1   2.525   7.699  -6.921
  694    H3   ASN   1           H3       ASN   1   0.939   7.321  -7.377
  695    HA   ASN   1           HA       ASN   1   1.202   5.183  -6.960
  696   1HB   ASN   1          1HB       ASN   1   4.072   6.001  -6.438
  697   2HB   ASN   1          2HB       ASN   1   3.523   4.393  -6.900
  698   2HD2  ASN   1          2HD2      ASN   1   3.830   3.938  -8.941
  699   1HD2  ASN   1          1HD2      ASN   1   3.804   5.058 -10.256
  700    H    ILE   2           H        ILE   2   3.629   4.446  -5.028
  701    HA   ILE   2           HA       ILE   2   2.029   3.732  -2.830
  702    HB   ILE   2           HB       ILE   2   5.039   3.955  -2.932
  703   1HG1  ILE   2          1HG1      ILE   2   4.221   2.514  -4.716
  704   2HG1  ILE   2          2HG1      ILE   2   4.974   1.535  -3.461
  705   1HG2  ILE   2          1HG2      ILE   2   3.221   2.429  -1.073
  706   2HG2  ILE   2          2HG2      ILE   2   4.976   2.260  -1.133
  707   3HG2  ILE   2          3HG2      ILE   2   4.254   3.798  -0.656
  708   1HD1  ILE   2          1HD1      ILE   2   2.391   1.505  -2.653
  709   2HD1  ILE   2          2HD1      ILE   2   2.202   1.594  -4.405
  710   3HD1  ILE   2          3HD1      ILE   2   3.135   0.282  -3.685
  711    H    GLN   3           H        GLN   3   3.981   6.561  -3.483
  712    HA   GLN   3           HA       GLN   3   4.236   7.538  -0.873
  713   1HB   GLN   3          1HB       GLN   3   5.468   8.380  -2.880
  714   2HB   GLN   3          2HB       GLN   3   3.991   9.171  -3.406
  715   1HG   GLN   3          1HG       GLN   3   5.159   9.743  -0.714
  716   2HG   GLN   3          2HG       GLN   3   5.779  10.538  -2.156
  717   2HE2  GLN   3          2HE2      GLN   3   2.755  10.153  -3.035
  718   1HE2  GLN   3          1HE2      GLN   3   2.022  11.574  -2.385
  719    H    MET   4           H        MET   4   1.752   8.202  -3.338
  720    HA   MET   4           HA       MET   4   0.228   9.886  -1.608
  721   1HB   MET   4          1HB       MET   4  -1.470   9.844  -3.357
  722   2HB   MET   4          2HB       MET   4   0.122  10.126  -4.045
  723   1HG   MET   4          1HG       MET   4   0.247   7.787  -4.727
  724   2HG   MET   4          2HG       MET   4  -1.344   7.498  -4.026
  725   1HE   MET   4          1HE       MET   4   0.407  10.160  -5.913
  726   2HE   MET   4          2HE       MET   4   0.303   9.375  -7.488
  727   3HE   MET   4          3HE       MET   4  -0.755  10.733  -7.109
  728    H    LEU   5           H        LEU   5   0.015   6.490  -2.580
  729    HA   LEU   5           HA       LEU   5  -2.452   5.909  -1.386
  730   1HB   LEU   5          1HB       LEU   5  -1.255   4.438  -2.991
  731   2HB   LEU   5          2HB       LEU   5  -0.101   4.044  -1.729
  732    HG   LEU   5           HG       LEU   5  -1.821   2.953  -0.421
  733   1HD1  LEU   5          1HD1      LEU   5  -3.590   4.611  -1.587
  734   2HD1  LEU   5          2HD1      LEU   5  -3.875   3.148  -2.531
  735   3HD1  LEU   5          3HD1      LEU   5  -4.046   3.112  -0.777
  736   1HD2  LEU   5          1HD2      LEU   5  -1.076   2.155  -3.095
  737   2HD2  LEU   5          2HD2      LEU   5  -1.227   1.184  -1.631
  738   3HD2  LEU   5          3HD2      LEU   5  -2.643   1.488  -2.638
  739    H    LEU   6           H        LEU   6   0.842   5.502  -0.102
  740    HA   LEU   6           HA       LEU   6   0.062   4.572   2.440
  741   1HB   LEU   6          1HB       LEU   6   2.316   4.256   1.642
  742   2HB   LEU   6          2HB       LEU   6   2.562   5.986   1.519
  743    HG   LEU   6           HG       LEU   6   2.522   6.212   3.934
  744   1HD1  LEU   6          1HD1      LEU   6   0.951   4.041   4.013
  745   2HD1  LEU   6          2HD1      LEU   6   2.499   3.299   4.421
  746   3HD1  LEU   6          3HD1      LEU   6   1.868   4.622   5.403
  747   1HD2  LEU   6          1HD2      LEU   6   4.610   5.532   2.691
  748   2HD2  LEU   6          2HD2      LEU   6   4.593   5.172   4.418
  749   3HD2  LEU   6          3HD2      LEU   6   4.302   3.887   3.244
  750    H    GLU   7           H        GLU   7   0.690   7.793   1.160
  751    HA   GLU   7           HA       GLU   7   0.501   9.239   3.558
  752   1HB   GLU   7          1HB       GLU   7   1.369  10.198   1.467
  753   2HB   GLU   7          2HB       GLU   7  -0.229  10.084   0.745
  754   1HG   GLU   7          1HG       GLU   7   0.172  12.347   1.409
  755   2HG   GLU   7          2HG       GLU   7  -1.077  11.657   2.443
  756    H    ALA   8           H        ALA   8  -1.899   7.990   1.346
  757    HA   ALA   8           HA       ALA   8  -4.164   9.380   2.170
  758   1HB   ALA   8          1HB       ALA   8  -3.834   7.688   0.239
  759   2HB   ALA   8          2HB       ALA   8  -4.294   6.479   1.437
  760   3HB   ALA   8          3HB       ALA   8  -5.407   7.785   1.030
  761    H    ALA   9           H        ALA   9  -2.697   6.440   3.483
  762    HA   ALA   9           HA       ALA   9  -4.670   5.768   5.336
  763   1HB   ALA   9          1HB       ALA   9  -2.585   4.458   4.625
  764   2HB   ALA   9          2HB       ALA   9  -1.745   5.376   5.876
  765   3HB   ALA   9          3HB       ALA   9  -3.101   4.334   6.307
  766    H    ASP  10           H        ASP  10  -1.873   7.921   5.656
  767    HA   ASP  10           HA       ASP  10  -2.158   8.504   8.385
  768   1HB   ASP  10          1HB       ASP  10  -0.142   9.043   7.059
  769   2HB   ASP  10          2HB       ASP  10  -1.052  10.275   6.192
  770    H    TYR  11           H        TYR  11  -3.508  10.058   5.509
  771    HA   TYR  11           HA       TYR  11  -4.739  12.234   6.776
  772   1HB   TYR  11          1HB       TYR  11  -4.472  12.211   4.385
  773   2HB   TYR  11          2HB       TYR  11  -5.446  10.751   4.240
  774    HD1  TYR  11           HD1      TYR  11  -5.845  14.144   5.788
  775    HD2  TYR  11           HD2      TYR  11  -7.533  11.082   3.362
  776    HE1  TYR  11           HE1      TYR  11  -7.859  15.518   5.462
  777    HE2  TYR  11           HE2      TYR  11  -9.546  12.449   3.027
  778    HH   TYR  11           HH       TYR  11 -10.693  14.263   3.812
  779    H    LEU  12           H        LEU  12  -6.182   9.138   5.745
  780    HA   LEU  12           HA       LEU  12  -8.707   9.584   6.871
  781   1HB   LEU  12          1HB       LEU  12  -7.243   7.027   6.232
  782   2HB   LEU  12          2HB       LEU  12  -8.912   7.069   6.770
  783    HG   LEU  12           HG       LEU  12  -7.882   8.392   4.255
  784   1HD1  LEU  12          1HD1      LEU  12  -8.884   5.680   4.828
  785   2HD1  LEU  12          2HD1      LEU  12  -9.585   6.475   3.417
  786   3HD1  LEU  12          3HD1      LEU  12  -7.837   6.257   3.532
  787   1HD2  LEU  12          1HD2      LEU  12 -10.266   8.754   5.763
  788   2HD2  LEU  12          2HD2      LEU  12  -9.813   9.481   4.221
  789   3HD2  LEU  12          3HD2      LEU  12 -10.680   7.946   4.251
  790    H    GLU  13           H        GLU  13  -5.753   8.272   8.231
  791    HA   GLU  13           HA       GLU  13  -6.748   7.145  10.577
  792   1HB   GLU  13          1HB       GLU  13  -4.430   6.869   9.805
  793   2HB   GLU  13          2HB       GLU  13  -4.110   8.563  10.147
  794   1HG   GLU  13          1HG       GLU  13  -3.208   7.224  11.911
  795   2HG   GLU  13          2HG       GLU  13  -4.583   8.135  12.531

  No H/Q in entry =         795
  Start of MODEL    3
    1    H1   GLU   1           H1       GLU   1  -8.745  17.731 -10.544
    2    H2   GLU   1           H2       GLU   1  -9.922  18.082  -9.381
    3    H3   GLU   1           H3       GLU   1 -10.277  18.262 -11.025
    4    HA   GLU   1           HA       GLU   1  -9.227  20.222 -11.220
    5   1HB   GLU   1          1HB       GLU   1  -9.759  20.042  -8.246
    6   2HB   GLU   1          2HB       GLU   1  -9.533  21.539  -9.140
    7   1HG   GLU   1          1HG       GLU   1 -11.745  19.552  -9.609
    8   2HG   GLU   1          2HG       GLU   1 -11.892  21.050  -8.693
    9    H    SER   2           H        SER   2  -7.885  21.353  -8.636
   10    HA   SER   2           HA       SER   2  -5.247  21.195  -9.519
   11   1HB   SER   2          1HB       SER   2  -6.058  22.986  -8.053
   12   2HB   SER   2          2HB       SER   2  -6.265  21.828  -6.740
   13    HG   SER   2           HG       SER   2  -3.896  22.820  -7.884
   14    H    ASP   3           H        ASP   3  -6.808  19.489  -6.809
   15    HA   ASP   3           HA       ASP   3  -4.519  17.970  -6.120
   16   1HB   ASP   3          1HB       ASP   3  -7.444  17.403  -5.583
   17   2HB   ASP   3          2HB       ASP   3  -6.090  16.592  -4.803
   18    H    SER   4           H        SER   4  -3.680  16.188  -7.020
   19    HA   SER   4           HA       SER   4  -4.565  15.190  -9.459
   20   1HB   SER   4          1HB       SER   4  -2.971  13.232  -8.665
   21   2HB   SER   4          2HB       SER   4  -2.350  14.786  -9.180
   22    HG   SER   4           HG       SER   4  -2.994  14.782  -6.550
   23    H    VAL   5           H        VAL   5  -5.568  13.398 -10.075
   24    HA   VAL   5           HA       VAL   5  -7.670  12.362  -8.568
   25    HB   VAL   5           HB       VAL   5  -6.200  11.223 -10.947
   26   1HG1  VAL   5          1HG1      VAL   5  -8.701  10.263  -9.569
   27   2HG1  VAL   5          2HG1      VAL   5  -8.329   9.862 -11.245
   28   3HG1  VAL   5          3HG1      VAL   5  -7.243   9.345  -9.952
   29   1HG2  VAL   5          1HG2      VAL   5  -7.886  13.407 -10.740
   30   2HG2  VAL   5          2HG2      VAL   5  -7.461  12.547 -12.219
   31   3HG2  VAL   5          3HG2      VAL   5  -8.931  12.120 -11.343
   32    H    GLU   6           H        GLU   6  -4.394  11.158  -9.124
   33    HA   GLU   6           HA       GLU   6  -4.575   8.657  -7.959
   34   1HB   GLU   6          1HB       GLU   6  -2.232  10.557  -7.822
   35   2HB   GLU   6          2HB       GLU   6  -2.166   8.818  -7.576
   36   1HG   GLU   6          1HG       GLU   6  -2.880   8.461  -9.883
   37   2HG   GLU   6          2HG       GLU   6  -2.944  10.206 -10.131
   38    H    PHE   7           H        PHE   7  -4.251  11.800  -6.435
   39    HA   PHE   7           HA       PHE   7  -3.624  10.902  -3.837
   40   1HB   PHE   7          1HB       PHE   7  -3.296  13.225  -4.562
   41   2HB   PHE   7          2HB       PHE   7  -5.038  13.431  -4.706
   42    HD1  PHE   7           HD1      PHE   7  -3.026  11.822  -2.012
   43    HD2  PHE   7           HD2      PHE   7  -5.628  15.000  -3.129
   44    HE1  PHE   7           HE1      PHE   7  -3.131  12.556   0.333
   45    HE2  PHE   7           HE2      PHE   7  -5.739  15.739  -0.785
   46    HZ   PHE   7           HZ       PHE   7  -4.489  14.517   0.949
   47    H    ASN   8           H        ASN   8  -6.748  12.226  -4.964
   48    HA   ASN   8           HA       ASN   8  -8.226  11.371  -2.739
   49   1HB   ASN   8          1HB       ASN   8  -9.150  11.888  -5.582
   50   2HB   ASN   8          2HB       ASN   8 -10.219  11.733  -4.187
   51   2HD2  ASN   8          2HD2      ASN   8  -8.793  13.890  -6.159
   52   1HD2  ASN   8          1HD2      ASN   8  -8.729  15.264  -5.114
   53    H    ASN   9           H        ASN   9  -7.655   9.874  -5.863
   54    HA   ASN   9           HA       ASN   9  -9.276   7.628  -5.652
   55   1HB   ASN   9          1HB       ASN   9  -8.203   8.180  -7.729
   56   2HB   ASN   9          2HB       ASN   9  -6.613   8.066  -7.008
   57   2HD2  ASN   9          2HD2      ASN   9  -5.813   6.609  -8.343
   58   1HD2  ASN   9          1HD2      ASN   9  -6.372   4.987  -8.458
   59    H    ALA  10           H        ALA  10  -6.008   8.243  -4.506
   60    HA   ALA  10           HA       ALA  10  -5.465   5.657  -3.506
   61   1HB   ALA  10          1HB       ALA  10  -4.046   7.372  -1.874
   62   2HB   ALA  10          2HB       ALA  10  -3.487   6.695  -3.405
   63   3HB   ALA  10          3HB       ALA  10  -4.236   8.292  -3.366
   64    H    ILE  11           H        ILE  11  -6.977   8.527  -2.105
   65    HA   ILE  11           HA       ILE  11  -7.178   7.637   0.550
   66    HB   ILE  11           HB       ILE  11  -9.156   9.396  -0.907
   67   1HG1  ILE  11          1HG1      ILE  11  -6.854  10.247  -1.146
   68   2HG1  ILE  11          2HG1      ILE  11  -7.838  11.299  -0.140
   69   1HG2  ILE  11          1HG2      ILE  11  -8.956   8.443   1.793
   70   2HG2  ILE  11          2HG2      ILE  11  -8.844  10.205   1.742
   71   3HG2  ILE  11          3HG2      ILE  11 -10.233   9.389   1.024
   72   1HD1  ILE  11          1HD1      ILE  11  -6.482   9.372   1.487
   73   2HD1  ILE  11          2HD1      ILE  11  -5.334  10.217   0.447
   74   3HD1  ILE  11          3HD1      ILE  11  -6.394  11.133   1.520
   75    H    SER  12           H        SER  12  -9.374   7.312  -2.204
   76    HA   SER  12           HA       SER  12 -11.500   6.066  -0.895
   77   1HB   SER  12          1HB       SER  12 -11.688   6.981  -3.160
   78   2HB   SER  12          2HB       SER  12 -10.595   5.736  -3.765
   79    HG   SER  12           HG       SER  12 -13.086   5.228  -2.504
   80    H    TYR  13           H        TYR  13  -8.620   4.679  -2.434
   81    HA   TYR  13           HA       TYR  13  -9.335   1.982  -2.221
   82   1HB   TYR  13          1HB       TYR  13  -7.387   2.873  -3.516
   83   2HB   TYR  13          2HB       TYR  13  -6.545   3.128  -1.994
   84    HD1  TYR  13           HD1      TYR  13  -8.659   0.244  -3.031
   85    HD2  TYR  13           HD2      TYR  13  -4.751   1.631  -2.078
   86    HE1  TYR  13           HE1      TYR  13  -7.829  -2.067  -3.102
   87    HE2  TYR  13           HE2      TYR  13  -3.909  -0.679  -2.145
   88    HH   TYR  13           HH       TYR  13  -5.734  -3.304  -1.936
   89    H    VAL  14           H        VAL  14  -7.402   3.991  -0.029
   90    HA   VAL  14           HA       VAL  14  -6.937   2.089   1.954
   91    HB   VAL  14           HB       VAL  14  -7.316   5.058   2.367
   92   1HG1  VAL  14          1HG1      VAL  14  -7.022   3.100   4.264
   93   2HG1  VAL  14          2HG1      VAL  14  -5.362   3.639   4.008
   94   3HG1  VAL  14          3HG1      VAL  14  -6.606   4.801   4.473
   95   1HG2  VAL  14          1HG2      VAL  14  -5.316   3.606   0.911
   96   2HG2  VAL  14          2HG2      VAL  14  -5.484   5.347   1.144
   97   3HG2  VAL  14          3HG2      VAL  14  -4.588   4.383   2.318
   98    H    ASN  15           H        ASN  15  -9.620   4.376   1.596
   99    HA   ASN  15           HA       ASN  15 -10.944   3.861   4.001
  100   1HB   ASN  15          1HB       ASN  15 -11.439   5.695   2.373
  101   2HB   ASN  15          2HB       ASN  15 -12.242   4.523   1.364
  102   2HD2  ASN  15          2HD2      ASN  15 -12.942   6.913   3.218
  103   1HD2  ASN  15          1HD2      ASN  15 -14.384   6.350   3.967
  104    H    LYS  16           H        LYS  16 -11.673   2.592   0.784
  105    HA   LYS  16           HA       LYS  16 -13.634   0.767   1.491
  106   1HB   LYS  16          1HB       LYS  16 -13.110   1.366  -0.837
  107   2HB   LYS  16          2HB       LYS  16 -11.588   0.495  -0.725
  108   1HG   LYS  16          1HG       LYS  16 -12.837  -1.593  -0.354
  109   2HG   LYS  16          2HG       LYS  16 -14.346  -0.701  -0.541
  110   1HD   LYS  16          1HD       LYS  16 -12.188  -0.948  -2.636
  111   2HD   LYS  16          2HD       LYS  16 -13.691  -1.870  -2.607
  112   1HE   LYS  16          1HE       LYS  16 -14.966   0.213  -2.792
  113   2HE   LYS  16          2HE       LYS  16 -13.460   1.132  -2.821
  114   1HZ   LYS  16          1HZ       LYS  16 -13.096  -0.656  -4.804
  115   2HZ   LYS  16          2HZ       LYS  16 -14.754  -0.346  -4.929
  116   3HZ   LYS  16          3HZ       LYS  16 -13.643   0.928  -5.024
  117    H    ILE  17           H        ILE  17 -10.124   0.381   1.518
  118    HA   ILE  17           HA       ILE  17 -10.049  -2.382   2.051
  119    HB   ILE  17           HB       ILE  17  -8.105  -0.176   2.739
  120   1HG1  ILE  17          1HG1      ILE  17  -8.022  -2.366   0.652
  121   2HG1  ILE  17          2HG1      ILE  17  -8.433  -0.682   0.341
  122   1HG2  ILE  17          1HG2      ILE  17  -8.207  -2.776   3.850
  123   2HG2  ILE  17          2HG2      ILE  17  -6.844  -2.723   2.732
  124   3HG2  ILE  17          3HG2      ILE  17  -6.955  -1.548   4.042
  125   1HD1  ILE  17          1HD1      ILE  17  -5.836  -1.226   1.649
  126   2HD1  ILE  17          2HD1      ILE  17  -6.006  -1.656  -0.054
  127   3HD1  ILE  17          3HD1      ILE  17  -6.280   0.005   0.468
  128    H    LYS  18           H        LYS  18 -10.265   0.443   4.143
  129    HA   LYS  18           HA       LYS  18 -10.034  -0.891   6.619
  130   1HB   LYS  18          1HB       LYS  18  -9.795   1.565   6.269
  131   2HB   LYS  18          2HB       LYS  18 -11.524   1.667   5.999
  132   1HG   LYS  18          1HG       LYS  18 -11.820   0.689   8.306
  133   2HG   LYS  18          2HG       LYS  18 -10.093   0.956   8.538
  134   1HD   LYS  18          1HD       LYS  18 -12.169   3.057   7.917
  135   2HD   LYS  18          2HD       LYS  18 -11.365   2.806   9.465
  136   1HE   LYS  18          1HE       LYS  18 -10.234   4.612   8.493
  137   2HE   LYS  18          2HE       LYS  18  -9.185   3.225   8.212
  138   1HZ   LYS  18          1HZ       LYS  18 -11.000   3.520   6.067
  139   2HZ   LYS  18          2HZ       LYS  18 -10.190   4.981   6.327
  140   3HZ   LYS  18          3HZ       LYS  18  -9.309   3.564   6.043
  141    H    THR  19           H        THR  19 -12.883   0.347   4.918
  142    HA   THR  19           HA       THR  19 -14.811  -0.689   6.663
  143    HB   THR  19           HB       THR  19 -15.271   1.078   4.984
  144    HG1  THR  19           HG1      THR  19 -17.137  -0.788   4.224
  145   1HG2  THR  19          1HG2      THR  19 -14.803  -1.193   3.106
  146   2HG2  THR  19          2HG2      THR  19 -15.971   0.057   2.677
  147   3HG2  THR  19          3HG2      THR  19 -14.290   0.491   2.987
  148    H    ARG  20           H        ARG  20 -13.115  -2.170   3.994
  149    HA   ARG  20           HA       ARG  20 -14.856  -4.337   3.563
  150   1HB   ARG  20          1HB       ARG  20 -13.137  -3.784   1.947
  151   2HB   ARG  20          2HB       ARG  20 -11.872  -4.108   3.130
  152   1HG   ARG  20          1HG       ARG  20 -12.184  -5.909   1.451
  153   2HG   ARG  20          2HG       ARG  20 -12.367  -6.445   3.124
  154   1HD   ARG  20          1HD       ARG  20 -14.794  -6.311   2.899
  155   2HD   ARG  20          2HD       ARG  20 -14.615  -5.772   1.230
  156    HE   ARG  20           HE       ARG  20 -13.273  -8.213   1.526
  157   1HH1  ARG  20          1HH1      ARG  20 -16.518  -6.944   1.559
  158   2HH1  ARG  20          2HH1      ARG  20 -17.237  -8.419   1.003
  159   1HH2  ARG  20          1HH2      ARG  20 -14.213 -10.158   0.794
  160   2HH2  ARG  20          2HH2      ARG  20 -15.928 -10.244   0.570
  161    H    PHE  21           H        PHE  21 -11.804  -4.250   5.396
  162    HA   PHE  21           HA       PHE  21 -12.560  -6.732   6.724
  163   1HB   PHE  21          1HB       PHE  21  -9.970  -5.180   6.802
  164   2HB   PHE  21          2HB       PHE  21 -10.247  -6.737   7.570
  165    HD1  PHE  21           HD1      PHE  21 -10.139  -5.033   4.280
  166    HD2  PHE  21           HD2      PHE  21  -9.963  -8.726   6.384
  167    HE1  PHE  21           HE1      PHE  21  -9.435  -6.172   2.215
  168    HE2  PHE  21           HE2      PHE  21  -9.245  -9.872   4.333
  169    HZ   PHE  21           HZ       PHE  21  -8.985  -8.595   2.239
  170    H    LEU  22           H        LEU  22 -14.150  -4.586   7.530
  171    HA   LEU  22           HA       LEU  22 -13.274  -3.152   9.751
  172   1HB   LEU  22          1HB       LEU  22 -15.998  -4.205   9.026
  173   2HB   LEU  22          2HB       LEU  22 -15.726  -3.218  10.448
  174    HG   LEU  22           HG       LEU  22 -15.175  -2.362   7.606
  175   1HD1  LEU  22          1HD1      LEU  22 -17.441  -1.762   9.490
  176   2HD1  LEU  22          2HD1      LEU  22 -17.088  -0.800   8.056
  177   3HD1  LEU  22          3HD1      LEU  22 -17.527  -2.499   7.891
  178   1HD2  LEU  22          1HD2      LEU  22 -14.206  -1.364  10.077
  179   2HD2  LEU  22          2HD2      LEU  22 -13.995  -0.690   8.460
  180   3HD2  LEU  22          3HD2      LEU  22 -15.376  -0.205   9.444
  181    H    ASP  23           H        ASP  23 -14.421  -6.455   9.490
  182    HA   ASP  23           HA       ASP  23 -14.575  -6.910  12.308
  183   1HB   ASP  23          1HB       ASP  23 -15.915  -8.237  10.762
  184   2HB   ASP  23          2HB       ASP  23 -14.453  -8.863  10.005
  185    H    HIS  24           H        HIS  24 -12.159  -7.437   9.801
  186    HA   HIS  24           HA       HIS  24 -10.289  -8.469  11.796
  187   1HB   HIS  24          1HB       HIS  24 -10.236  -8.587   8.779
  188   2HB   HIS  24          2HB       HIS  24  -9.024  -9.268   9.842
  189    HD1  HIS  24           HD1      HIS  24 -10.323 -10.983  11.748
  190    HD2  HIS  24           HD2      HIS  24 -11.921 -10.507   7.941
  191    HE1  HIS  24           HE1      HIS  24 -11.793 -12.991  11.379
  192    HE2  HIS  24           HE2      HIS  24 -12.826 -12.630   9.110
  193    HA   PRO  25           HA       PRO  25  -8.977  -4.027  11.065
  194   1HB   PRO  25          1HB       PRO  25  -7.883  -3.802  13.559
  195   2HB   PRO  25          2HB       PRO  25  -9.548  -3.375  13.166
  196   1HG   PRO  25          1HG       PRO  25  -8.478  -5.898  14.378
  197   2HG   PRO  25          2HG       PRO  25  -9.919  -4.965  14.828
  198   1HD   PRO  25          1HD       PRO  25 -10.136  -7.186  13.366
  199   2HD   PRO  25          2HD       PRO  25 -11.155  -5.773  13.025
  200    H    GLU  26           H        GLU  26  -7.321  -6.785  12.500
  201    HA   GLU  26           HA       GLU  26  -4.696  -5.956  12.434
  202   1HB   GLU  26          1HB       GLU  26  -4.103  -8.341  12.188
  203   2HB   GLU  26          2HB       GLU  26  -5.352  -8.082  13.398
  204   1HG   GLU  26          1HG       GLU  26  -7.055  -8.774  11.787
  205   2HG   GLU  26          2HG       GLU  26  -5.799  -9.040  10.579
  206    H    ILE  27           H        ILE  27  -6.744  -6.952   9.783
  207    HA   ILE  27           HA       ILE  27  -4.754  -7.346   7.822
  208    HB   ILE  27           HB       ILE  27  -7.504  -6.263   7.250
  209   1HG1  ILE  27          1HG1      ILE  27  -7.580  -8.178   8.889
  210   2HG1  ILE  27          2HG1      ILE  27  -8.429  -8.458   7.378
  211   1HG2  ILE  27          1HG2      ILE  27  -5.337  -7.456   5.706
  212   2HG2  ILE  27          2HG2      ILE  27  -6.904  -8.207   5.409
  213   3HG2  ILE  27          3HG2      ILE  27  -6.702  -6.470   5.176
  214   1HD1  ILE  27          1HD1      ILE  27  -5.624  -9.381   7.582
  215   2HD1  ILE  27          2HD1      ILE  27  -6.869 -10.270   8.461
  216   3HD1  ILE  27          3HD1      ILE  27  -6.993 -10.077   6.711
  217    H    TYR  28           H        TYR  28  -6.729  -4.520   8.655
  218    HA   TYR  28           HA       TYR  28  -5.755  -2.765   6.717
  219   1HB   TYR  28          1HB       TYR  28  -7.769  -2.369   8.081
  220   2HB   TYR  28          2HB       TYR  28  -6.747  -2.101   9.483
  221    HD1  TYR  28           HD1      TYR  28  -6.944  -0.889   5.967
  222    HD2  TYR  28           HD2      TYR  28  -6.464   0.108  10.067
  223    HE1  TYR  28           HE1      TYR  28  -6.788   1.491   5.357
  224    HE2  TYR  28           HE2      TYR  28  -6.311   2.493   9.479
  225    HH   TYR  28           HH       TYR  28  -5.805   3.585   6.350
  226    H    ARG  29           H        ARG  29  -4.733  -3.214  10.088
  227    HA   ARG  29           HA       ARG  29  -2.738  -1.295  10.182
  228   1HB   ARG  29          1HB       ARG  29  -2.971  -3.959  11.573
  229   2HB   ARG  29          2HB       ARG  29  -1.763  -2.753  11.979
  230   1HG   ARG  29          1HG       ARG  29  -4.740  -2.339  12.104
  231   2HG   ARG  29          2HG       ARG  29  -3.699  -2.695  13.481
  232   1HD   ARG  29          1HD       ARG  29  -3.568  -0.263  11.703
  233   2HD   ARG  29          2HD       ARG  29  -4.146  -0.314  13.369
  234    HE   ARG  29           HE       ARG  29  -1.526  -1.283  13.328
  235   1HH1  ARG  29          1HH1      ARG  29  -3.249   1.694  12.769
  236   2HH1  ARG  29          2HH1      ARG  29  -1.921   2.701  13.237
  237   1HH2  ARG  29          1HH2      ARG  29   0.231   0.040  13.947
  238   2HH2  ARG  29          2HH2      ARG  29   0.055   1.763  13.905
  239    H    SER  30           H        SER  30  -2.386  -4.759   9.442
  240    HA   SER  30           HA       SER  30   0.335  -4.814   8.961
  241   1HB   SER  30          1HB       SER  30  -1.808  -6.403   7.529
  242   2HB   SER  30          2HB       SER  30  -0.092  -6.807   7.576
  243    HG   SER  30           HG       SER  30  -1.854  -7.621   9.250
  244    H    PHE  31           H        PHE  31  -2.280  -4.136   6.652
  245    HA   PHE  31           HA       PHE  31  -0.791  -3.839   4.333
  246   1HB   PHE  31          1HB       PHE  31  -3.177  -3.836   4.198
  247   2HB   PHE  31          2HB       PHE  31  -3.302  -2.446   5.272
  248    HD1  PHE  31           HD1      PHE  31  -1.688  -3.345   2.023
  249    HD2  PHE  31           HD2      PHE  31  -3.782  -0.429   4.314
  250    HE1  PHE  31           HE1      PHE  31  -1.719  -1.841   0.075
  251    HE2  PHE  31           HE2      PHE  31  -3.822   1.077   2.367
  252    HZ   PHE  31           HZ       PHE  31  -2.789   0.372   0.245
  253    H    LEU  32           H        LEU  32  -1.636  -1.383   6.749
  254    HA   LEU  32           HA       LEU  32  -0.370   0.787   5.523
  255   1HB   LEU  32          1HB       LEU  32  -0.691   0.340   8.487
  256   2HB   LEU  32          2HB       LEU  32  -0.492   1.880   7.675
  257    HG   LEU  32           HG       LEU  32  -2.882   0.048   7.472
  258   1HD1  LEU  32          1HD1      LEU  32  -2.250   2.480   9.041
  259   2HD1  LEU  32          2HD1      LEU  32  -3.879   2.320   8.385
  260   3HD1  LEU  32          3HD1      LEU  32  -3.237   1.080   9.462
  261   1HD2  LEU  32          1HD2      LEU  32  -1.919   2.046   5.677
  262   2HD2  LEU  32          2HD2      LEU  32  -3.372   1.054   5.562
  263   3HD2  LEU  32          3HD2      LEU  32  -3.423   2.597   6.415
  264    H    GLU  33           H        GLU  33   0.831  -1.512   7.946
  265    HA   GLU  33           HA       GLU  33   3.381  -0.400   8.287
  266   1HB   GLU  33          1HB       GLU  33   2.455  -2.126   9.773
  267   2HB   GLU  33          2HB       GLU  33   2.533  -3.304   8.470
  268   1HG   GLU  33          1HG       GLU  33   4.964  -3.106   8.429
  269   2HG   GLU  33          2HG       GLU  33   4.890  -1.916   9.727
  270    H    ILE  34           H        ILE  34   2.060  -2.438   5.760
  271    HA   ILE  34           HA       ILE  34   4.473  -3.326   4.615
  272    HB   ILE  34           HB       ILE  34   1.819  -2.774   3.299
  273   1HG1  ILE  34          1HG1      ILE  34   3.074  -5.369   4.214
  274   2HG1  ILE  34          2HG1      ILE  34   1.859  -4.477   5.124
  275   1HG2  ILE  34          1HG2      ILE  34   3.694  -2.766   1.690
  276   2HG2  ILE  34          2HG2      ILE  34   4.157  -4.373   2.251
  277   3HG2  ILE  34          3HG2      ILE  34   2.604  -4.131   1.451
  278   1HD1  ILE  34          1HD1      ILE  34   0.320  -4.736   3.218
  279   2HD1  ILE  34          2HD1      ILE  34   1.533  -5.743   2.428
  280   3HD1  ILE  34          3HD1      ILE  34   0.809  -6.264   3.949
  281    H    LEU  35           H        LEU  35   2.331  -0.676   3.553
  282    HA   LEU  35           HA       LEU  35   4.148   0.465   1.729
  283   1HB   LEU  35          1HB       LEU  35   1.929   1.799   3.298
  284   2HB   LEU  35          2HB       LEU  35   2.731   2.486   1.894
  285    HG   LEU  35           HG       LEU  35   1.182  -0.102   1.789
  286   1HD1  LEU  35          1HD1      LEU  35   0.262   2.704   1.731
  287   2HD1  LEU  35          2HD1      LEU  35  -0.396   1.634   0.493
  288   3HD1  LEU  35          3HD1      LEU  35  -0.595   1.235   2.200
  289   1HD2  LEU  35          1HD2      LEU  35   2.973   0.988   0.016
  290   2HD2  LEU  35          2HD2      LEU  35   1.702  -0.167  -0.389
  291   3HD2  LEU  35          3HD2      LEU  35   1.420   1.565  -0.596
  292    H    HIS  36           H        HIS  36   3.629   0.861   5.151
  293    HA   HIS  36           HA       HIS  36   5.229   3.113   5.637
  294   1HB   HIS  36          1HB       HIS  36   4.112   0.886   7.261
  295   2HB   HIS  36          2HB       HIS  36   5.422   1.807   7.977
  296    HD1  HIS  36           HD1      HIS  36   4.802   4.632   7.388
  297    HD2  HIS  36           HD2      HIS  36   1.810   1.877   8.233
  298    HE1  HIS  36           HE1      HIS  36   2.840   5.993   8.178
  299    HE2  HIS  36           HE2      HIS  36   1.074   4.298   8.772
  300    H    THR  37           H        THR  37   5.986  -0.340   5.600
  301    HA   THR  37           HA       THR  37   8.655  -0.150   6.465
  302    HB   THR  37           HB       THR  37   7.349  -2.227   4.692
  303    HG1  THR  37           HG1      THR  37   6.543  -2.906   6.517
  304   1HG2  THR  37          1HG2      THR  37  10.069  -1.869   5.138
  305   2HG2  THR  37          2HG2      THR  37   9.600  -3.122   6.286
  306   3HG2  THR  37          3HG2      THR  37   9.283  -3.339   4.565
  307    H    TYR  38           H        TYR  38   7.140   0.092   3.315
  308    HA   TYR  38           HA       TYR  38   9.391  -0.005   1.674
  309   1HB   TYR  38          1HB       TYR  38   7.181  -0.121   0.738
  310   2HB   TYR  38          2HB       TYR  38   6.769   1.463   1.380
  311    HD1  TYR  38           HD1      TYR  38   9.314  -0.103  -0.862
  312    HD2  TYR  38           HD2      TYR  38   6.824   3.248  -0.052
  313    HE1  TYR  38           HE1      TYR  38  10.063   0.946  -2.956
  314    HE2  TYR  38           HE2      TYR  38   7.564   4.311  -2.143
  315    HH   TYR  38           HH       TYR  38  10.108   3.739  -3.698
  316    H    GLN  39           H        GLN  39   7.641   2.907   2.729
  317    HA   GLN  39           HA       GLN  39   9.546   4.738   1.809
  318   1HB   GLN  39          1HB       GLN  39   7.414   4.981   3.917
  319   2HB   GLN  39          2HB       GLN  39   8.408   6.336   3.395
  320   1HG   GLN  39          1HG       GLN  39   6.666   4.693   1.578
  321   2HG   GLN  39          2HG       GLN  39   6.219   6.242   2.285
  322   2HE2  GLN  39          2HE2      GLN  39   6.574   7.959   1.103
  323   1HE2  GLN  39          1HE2      GLN  39   7.713   8.090  -0.189
  324    H    LYS  40           H        LYS  40   9.101   3.388   5.078
  325    HA   LYS  40           HA       LYS  40  11.030   4.902   6.385
  326   1HB   LYS  40          1HB       LYS  40  10.082   2.087   6.901
  327   2HB   LYS  40          2HB       LYS  40  11.189   2.934   7.971
  328   1HG   LYS  40          1HG       LYS  40   9.497   4.693   8.291
  329   2HG   LYS  40          2HG       LYS  40   8.383   3.776   7.274
  330   1HD   LYS  40          1HD       LYS  40   8.446   1.920   8.843
  331   2HD   LYS  40          2HD       LYS  40   9.618   2.782   9.842
  332   1HE   LYS  40          1HE       LYS  40   7.368   2.961  10.770
  333   2HE   LYS  40          2HE       LYS  40   7.977   4.537  10.268
  334   1HZ   LYS  40          1HZ       LYS  40   6.725   3.872   8.067
  335   2HZ   LYS  40          2HZ       LYS  40   5.812   2.933   9.137
  336   3HZ   LYS  40          3HZ       LYS  40   5.914   4.607   9.357
  337    H    GLU  41           H        GLU  41  11.437   1.730   4.801
  338    HA   GLU  41           HA       GLU  41  14.279   1.763   5.266
  339   1HB   GLU  41          1HB       GLU  41  12.577  -0.088   3.594
  340   2HB   GLU  41          2HB       GLU  41  14.289  -0.318   3.920
  341   1HG   GLU  41          1HG       GLU  41  13.758  -0.415   6.342
  342   2HG   GLU  41          2HG       GLU  41  12.046  -0.346   5.924
  343    H    GLN  42           H        GLN  42  13.557   4.059   3.906
  344    HA   GLN  42           HA       GLN  42  15.155   3.784   1.513
  345   1HB   GLN  42          1HB       GLN  42  12.906   3.370   0.687
  346   2HB   GLN  42          2HB       GLN  42  12.325   4.833   1.467
  347   1HG   GLN  42          1HG       GLN  42  13.743   6.179   0.018
  348   2HG   GLN  42          2HG       GLN  42  14.335   4.718  -0.767
  349   2HE2  GLN  42          2HE2      GLN  42  11.169   4.186  -0.018
  350   1HE2  GLN  42          1HE2      GLN  42  10.441   4.659  -1.509
  351    H    LEU  43           H        LEU  43  13.071   6.026   3.343
  352    HA   LEU  43           HA       LEU  43  14.612   8.323   2.655
  353   1HB   LEU  43          1HB       LEU  43  12.584   7.912   4.841
  354   2HB   LEU  43          2HB       LEU  43  13.242   9.464   4.364
  355    HG   LEU  43           HG       LEU  43  11.620   7.658   2.572
  356   1HD1  LEU  43          1HD1      LEU  43  10.853   9.620   4.574
  357   2HD1  LEU  43          2HD1      LEU  43  10.210   9.988   2.974
  358   3HD1  LEU  43          3HD1      LEU  43   9.871   8.427   3.722
  359   1HD2  LEU  43          1HD2      LEU  43  12.673  10.458   2.203
  360   2HD2  LEU  43          2HD2      LEU  43  13.132   9.020   1.291
  361   3HD2  LEU  43          3HD2      LEU  43  11.502   9.678   1.139
  362    H    HIS  44           H        HIS  44  14.135   6.660   5.774
  363    HA   HIS  44           HA       HIS  44  16.594   7.876   6.784
  364   1HB   HIS  44          1HB       HIS  44  14.496   6.208   8.191
  365   2HB   HIS  44          2HB       HIS  44  15.887   6.952   8.970
  366    HD1  HIS  44           HD1      HIS  44  13.528   7.882  10.269
  367    HD2  HIS  44           HD2      HIS  44  14.678   9.586   6.657
  368    HE1  HIS  44           HE1      HIS  44  12.370  10.111  10.179
  369    HE2  HIS  44           HE2      HIS  44  12.973  11.061   7.926
  370    H    THR  45           H        THR  45  15.161   4.720   6.154
  371    HA   THR  45           HA       THR  45  16.073   2.676   5.778
  372    HB   THR  45           HB       THR  45  18.717   4.056   5.692
  373    HG1  THR  45           HG1      THR  45  17.783   3.392   3.278
  374   1HG2  THR  45          1HG2      THR  45  18.779   1.585   5.958
  375   2HG2  THR  45          2HG2      THR  45  17.866   1.446   4.456
  376   3HG2  THR  45          3HG2      THR  45  19.485   2.145   4.442
  377    H    LYS  46           H        LYS  46  16.389   1.052   7.137
  378    HA   LYS  46           HA       LYS  46  18.400   0.901   9.076
  379   1HB   LYS  46          1HB       LYS  46  16.786   2.684  10.050
  380   2HB   LYS  46          2HB       LYS  46  15.720   1.323  10.374
  381   1HG   LYS  46          1HG       LYS  46  17.017   1.860  12.338
  382   2HG   LYS  46          2HG       LYS  46  17.490   0.276  11.716
  383   1HD   LYS  46          1HD       LYS  46  19.419   1.308  10.595
  384   2HD   LYS  46          2HD       LYS  46  18.952   2.876  11.253
  385   1HE   LYS  46          1HE       LYS  46  19.252   2.021  13.523
  386   2HE   LYS  46          2HE       LYS  46  19.696   0.443  12.877
  387   1HZ   LYS  46          1HZ       LYS  46  21.294   2.471  11.714
  388   2HZ   LYS  46          2HZ       LYS  46  21.378   2.570  13.400
  389   3HZ   LYS  46          3HZ       LYS  46  21.774   1.125  12.618
  390    H    GLY  47           H        GLY  47  18.736  -1.230   9.087
  391   1HA   GLY  47          1HA       GLY  47  16.548  -3.046   8.471
  392   2HA   GLY  47          2HA       GLY  47  17.247  -3.223  10.072
  393    H    ARG  48           H        ARG  48  17.929  -5.335   9.578
  394    HA   ARG  48           HA       ARG  48  20.551  -5.680   8.829
  395   1HB   ARG  48          1HB       ARG  48  18.282  -7.669   8.631
  396   2HB   ARG  48          2HB       ARG  48  19.986  -8.087   8.536
  397   1HG   ARG  48          1HG       ARG  48  20.332  -7.293  10.802
  398   2HG   ARG  48          2HG       ARG  48  18.640  -6.803  10.902
  399   1HD   ARG  48          1HD       ARG  48  17.926  -9.104  10.658
  400   2HD   ARG  48          2HD       ARG  48  19.595  -9.625  10.438
  401    HE   ARG  48           HE       ARG  48  19.739  -9.734  12.699
  402   1HH1  ARG  48          1HH1      ARG  48  17.350  -7.317  11.905
  403   2HH1  ARG  48          2HH1      ARG  48  16.991  -6.950  13.560
  404   1HH2  ARG  48          1HH2      ARG  48  19.267  -9.256  14.871
  405   2HH2  ARG  48          2HH2      ARG  48  18.080  -8.051  15.244
  406    HA   PRO  49           HA       PRO  49  21.018  -5.246   4.476
  407   1HB   PRO  49          1HB       PRO  49  22.446  -7.632   4.014
  408   2HB   PRO  49          2HB       PRO  49  23.128  -6.039   4.351
  409   1HG   PRO  49          1HG       PRO  49  22.662  -8.328   6.191
  410   2HG   PRO  49          2HG       PRO  49  23.952  -7.112   6.207
  411   1HD   PRO  49          1HD       PRO  49  21.939  -7.026   7.967
  412   2HD   PRO  49          2HD       PRO  49  22.621  -5.537   7.275
  413    H    PHE  50           H        PHE  50  20.016  -5.859   2.626
  414    HA   PHE  50           HA       PHE  50  18.881  -8.482   2.277
  415   1HB   PHE  50          1HB       PHE  50  17.203  -7.341   3.730
  416   2HB   PHE  50          2HB       PHE  50  17.017  -6.105   2.491
  417    HD1  PHE  50           HD1      PHE  50  17.128  -9.843   2.460
  418    HD2  PHE  50           HD2      PHE  50  15.022  -6.301   1.388
  419    HE1  PHE  50           HE1      PHE  50  15.400 -11.207   1.361
  420    HE2  PHE  50           HE2      PHE  50  13.291  -7.661   0.288
  421    HZ   PHE  50           HZ       PHE  50  13.478 -10.116   0.273
  422    H    ARG  51           H        ARG  51  17.763  -8.649   0.142
  423    HA   ARG  51           HA       ARG  51  19.315  -7.320  -1.854
  424   1HB   ARG  51          1HB       ARG  51  16.976  -9.209  -2.081
  425   2HB   ARG  51          2HB       ARG  51  17.926  -8.628  -3.440
  426   1HG   ARG  51          1HG       ARG  51  19.896  -9.689  -2.570
  427   2HG   ARG  51          2HG       ARG  51  19.016 -10.204  -1.130
  428   1HD   ARG  51          1HD       ARG  51  18.413 -11.041  -3.965
  429   2HD   ARG  51          2HD       ARG  51  19.247 -12.022  -2.761
  430    HE   ARG  51           HE       ARG  51  16.778 -11.252  -1.702
  431   1HH1  ARG  51          1HH1      ARG  51  18.052 -13.243  -4.260
  432   2HH1  ARG  51          2HH1      ARG  51  16.722 -14.352  -4.236
  433   1HH2  ARG  51          1HH2      ARG  51  15.020 -12.708  -1.663
  434   2HH2  ARG  51          2HH2      ARG  51  14.995 -14.043  -2.765
  435    H    GLY  52           H        GLY  52  17.928  -5.371  -0.475
  436   1HA   GLY  52          1HA       GLY  52  16.776  -3.894  -2.574
  437   2HA   GLY  52          2HA       GLY  52  16.737  -3.457  -0.874
  438    H    MET  53           H        MET  53  14.662  -2.577  -1.492
  439    HA   MET  53           HA       MET  53  12.518  -4.512  -1.865
  440   1HB   MET  53          1HB       MET  53  12.772  -4.433   0.532
  441   2HB   MET  53          2HB       MET  53  12.754  -2.676   0.516
  442   1HG   MET  53          1HG       MET  53  10.437  -2.726  -0.306
  443   2HG   MET  53          2HG       MET  53  10.458  -4.484  -0.202
  444   1HE   MET  53          1HE       MET  53   8.304  -3.306   0.758
  445   2HE   MET  53          2HE       MET  53   8.185  -4.436   2.106
  446   3HE   MET  53          3HE       MET  53   8.152  -2.698   2.406
  447    H    SER  54           H        SER  54  10.663  -3.649  -2.746
  448    HA   SER  54           HA       SER  54  10.136  -0.867  -2.919
  449   1HB   SER  54          1HB       SER  54  10.488  -0.596  -5.356
  450   2HB   SER  54          2HB       SER  54  12.001  -0.907  -4.503
  451    HG   SER  54           HG       SER  54  11.282  -3.251  -5.105
  452    H    GLU  55           H        GLU  55   8.953  -1.302  -5.687
  453    HA   GLU  55           HA       GLU  55   6.366  -1.980  -4.922
  454   1HB   GLU  55          1HB       GLU  55   7.598  -2.145  -7.678
  455   2HB   GLU  55          2HB       GLU  55   5.874  -2.130  -7.330
  456   1HG   GLU  55          1HG       GLU  55   6.079   0.109  -6.385
  457   2HG   GLU  55          2HG       GLU  55   7.809   0.095  -6.723
  458    H    GLU  56           H        GLU  56   9.006  -3.974  -6.015
  459    HA   GLU  56           HA       GLU  56   7.626  -6.276  -6.754
  460   1HB   GLU  56          1HB       GLU  56   9.747  -7.469  -6.245
  461   2HB   GLU  56          2HB       GLU  56   9.962  -6.043  -7.249
  462   1HG   GLU  56          1HG       GLU  56  10.693  -4.776  -5.287
  463   2HG   GLU  56          2HG       GLU  56  10.494  -6.216  -4.289
  464    H    GLU  57           H        GLU  57   8.973  -5.441  -3.549
  465    HA   GLU  57           HA       GLU  57   7.839  -7.801  -2.361
  466   1HB   GLU  57          1HB       GLU  57   9.920  -6.980  -1.477
  467   2HB   GLU  57          2HB       GLU  57   9.211  -5.405  -1.141
  468   1HG   GLU  57          1HG       GLU  57   7.872  -6.274   0.599
  469   2HG   GLU  57          2HG       GLU  57   8.240  -7.941   0.146
  470    H    VAL  58           H        VAL  58   7.108  -4.326  -2.243
  471    HA   VAL  58           HA       VAL  58   5.097  -4.345  -0.346
  472    HB   VAL  58           HB       VAL  58   5.185  -2.655  -2.853
  473   1HG1  VAL  58          1HG1      VAL  58   3.011  -2.821  -1.449
  474   2HG1  VAL  58          2HG1      VAL  58   3.899  -1.847  -0.276
  475   3HG1  VAL  58          3HG1      VAL  58   3.623  -1.231  -1.904
  476   1HG2  VAL  58          1HG2      VAL  58   6.744  -2.638  -0.388
  477   2HG2  VAL  58          2HG2      VAL  58   7.054  -1.844  -1.931
  478   3HG2  VAL  58          3HG2      VAL  58   5.987  -1.087  -0.749
  479    H    PHE  59           H        PHE  59   4.896  -5.086  -3.796
  480    HA   PHE  59           HA       PHE  59   2.102  -5.343  -3.960
  481   1HB   PHE  59          1HB       PHE  59   3.517  -5.188  -5.953
  482   2HB   PHE  59          2HB       PHE  59   4.262  -6.734  -5.564
  483    HD1  PHE  59           HD1      PHE  59   0.690  -5.664  -5.570
  484    HD2  PHE  59           HD2      PHE  59   3.668  -8.220  -7.214
  485    HE1  PHE  59           HE1      PHE  59  -1.037  -6.826  -6.881
  486    HE2  PHE  59           HE2      PHE  59   1.946  -9.387  -8.529
  487    HZ   PHE  59           HZ       PHE  59  -0.410  -8.690  -8.363
  488    H    THR  60           H        THR  60   4.646  -7.610  -3.085
  489    HA   THR  60           HA       THR  60   3.031  -9.932  -2.965
  490    HB   THR  60           HB       THR  60   5.692  -9.233  -1.748
  491    HG1  THR  60           HG1      THR  60   6.404 -10.067  -3.552
  492   1HG2  THR  60          1HG2      THR  60   4.045 -11.075  -0.606
  493   2HG2  THR  60          2HG2      THR  60   4.925 -12.066  -1.772
  494   3HG2  THR  60          3HG2      THR  60   5.809 -11.137  -0.560
  495    H    GLU  61           H        GLU  61   4.218  -7.776  -0.417
  496    HA   GLU  61           HA       GLU  61   3.083  -9.048   1.754
  497   1HB   GLU  61          1HB       GLU  61   3.582  -6.095   1.390
  498   2HB   GLU  61          2HB       GLU  61   3.313  -6.900   2.928
  499   1HG   GLU  61          1HG       GLU  61   5.609  -7.454   1.063
  500   2HG   GLU  61          2HG       GLU  61   5.683  -6.427   2.493
  501    H    VAL  62           H        VAL  62   1.736  -6.396  -0.202
  502    HA   VAL  62           HA       VAL  62  -0.699  -6.233   1.245
  503    HB   VAL  62           HB       VAL  62  -0.147  -5.360  -1.594
  504   1HG1  VAL  62          1HG1      VAL  62  -2.546  -5.422  -0.082
  505   2HG1  VAL  62          2HG1      VAL  62  -2.055  -3.737  -0.258
  506   3HG1  VAL  62          3HG1      VAL  62  -2.276  -4.745  -1.688
  507   1HG2  VAL  62          1HG2      VAL  62   1.347  -4.421   0.234
  508   2HG2  VAL  62          2HG2      VAL  62   0.477  -3.249  -0.756
  509   3HG2  VAL  62          3HG2      VAL  62  -0.099  -3.634   0.866
  510    H    ALA  63           H        ALA  63   0.188  -7.850  -1.791
  511    HA   ALA  63           HA       ALA  63  -2.361  -8.793  -2.460
  512   1HB   ALA  63          1HB       ALA  63  -0.898 -10.655  -3.621
  513   2HB   ALA  63          2HB       ALA  63   0.411  -9.546  -3.214
  514   3HB   ALA  63          3HB       ALA  63  -0.929  -8.998  -4.222
  515    H    ASN  64           H        ASN  64   0.217 -10.299  -0.555
  516    HA   ASN  64           HA       ASN  64  -1.062 -12.769  -0.172
  517   1HB   ASN  64          1HB       ASN  64   0.675 -13.282   1.277
  518   2HB   ASN  64          2HB       ASN  64   1.399 -12.010   0.298
  519   2HD2  ASN  64          2HD2      ASN  64   2.669 -10.858   1.482
  520   1HD2  ASN  64          1HD2      ASN  64   2.348 -10.274   3.074
  521    H    LEU  65           H        LEU  65  -1.172  -9.745   1.597
  522    HA   LEU  65           HA       LEU  65  -2.604 -10.563   3.859
  523   1HB   LEU  65          1HB       LEU  65  -1.894  -8.086   2.535
  524   2HB   LEU  65          2HB       LEU  65  -3.491  -7.999   3.241
  525    HG   LEU  65           HG       LEU  65  -0.975  -8.714   4.740
  526   1HD1  LEU  65          1HD1      LEU  65  -1.860  -6.246   3.814
  527   2HD1  LEU  65          2HD1      LEU  65  -2.326  -6.291   5.516
  528   3HD1  LEU  65          3HD1      LEU  65  -0.641  -6.541   5.056
  529   1HD2  LEU  65          1HD2      LEU  65  -3.841  -8.777   5.406
  530   2HD2  LEU  65          2HD2      LEU  65  -2.486  -9.641   6.135
  531   3HD2  LEU  65          3HD2      LEU  65  -2.810  -7.967   6.588
  532    H    PHE  66           H        PHE  66  -3.859  -8.818   1.043
  533    HA   PHE  66           HA       PHE  66  -6.585  -9.391   1.669
  534   1HB   PHE  66          1HB       PHE  66  -5.403  -8.338  -0.908
  535   2HB   PHE  66          2HB       PHE  66  -7.092  -8.250  -0.429
  536    HD1  PHE  66           HD1      PHE  66  -5.834  -7.641   2.578
  537    HD2  PHE  66           HD2      PHE  66  -5.745  -5.865  -1.292
  538    HE1  PHE  66           HE1      PHE  66  -5.424  -5.441   3.600
  539    HE2  PHE  66           HE2      PHE  66  -5.340  -3.663  -0.273
  540    HZ   PHE  66           HZ       PHE  66  -5.176  -3.449   2.174
  541    H    ARG  67           H        ARG  67  -5.190 -11.840   1.466
  542    HA   ARG  67           HA       ARG  67  -5.406 -13.072  -1.043
  543   1HB   ARG  67          1HB       ARG  67  -4.090 -14.058   0.752
  544   2HB   ARG  67          2HB       ARG  67  -5.538 -14.292   1.721
  545   1HG   ARG  67          1HG       ARG  67  -6.390 -15.890   0.101
  546   2HG   ARG  67          2HG       ARG  67  -4.976 -15.626  -0.921
  547   1HD   ARG  67          1HD       ARG  67  -3.527 -16.484   0.836
  548   2HD   ARG  67          2HD       ARG  67  -4.917 -16.702   1.898
  549    HE   ARG  67           HE       ARG  67  -4.013 -18.516  -0.050
  550   1HH1  ARG  67          1HH1      ARG  67  -6.977 -17.154   1.184
  551   2HH1  ARG  67          2HH1      ARG  67  -7.937 -18.529   0.752
  552   1HH2  ARG  67          1HH2      ARG  67  -5.273 -20.329  -0.617
  553   2HH2  ARG  67          2HH2      ARG  67  -6.969 -20.332  -0.267
  554    H    GLY  68           H        GLY  68  -7.056 -13.923  -2.146
  555   1HA   GLY  68          1HA       GLY  68  -9.571 -14.528  -0.800
  556   2HA   GLY  68          2HA       GLY  68  -9.169 -14.897  -2.472
  557    H    GLN  69           H        GLN  69  -9.031 -11.825  -0.692
  558    HA   GLN  69           HA       GLN  69 -11.272 -10.775  -2.219
  559   1HB   GLN  69          1HB       GLN  69  -9.543  -9.437  -0.128
  560   2HB   GLN  69          2HB       GLN  69 -10.975  -8.733  -0.864
  561   1HG   GLN  69          1HG       GLN  69 -11.816  -9.514   1.115
  562   2HG   GLN  69          2HG       GLN  69 -12.156 -10.866   0.038
  563   2HE2  GLN  69          2HE2      GLN  69  -8.866 -10.492   0.775
  564   1HE2  GLN  69          1HE2      GLN  69  -8.749 -11.726   1.978
  565    H    GLU  70           H        GLU  70  -9.504 -11.400  -4.029
  566    HA   GLU  70           HA       GLU  70  -7.446  -9.611  -4.622
  567   1HB   GLU  70          1HB       GLU  70  -9.134 -11.291  -6.477
  568   2HB   GLU  70          2HB       GLU  70  -7.648 -10.472  -6.946
  569   1HG   GLU  70          1HG       GLU  70  -6.372 -11.792  -5.399
  570   2HG   GLU  70          2HG       GLU  70  -7.841 -12.534  -4.771
  571    H    ASP  71           H        ASP  71 -10.697  -8.925  -4.490
  572    HA   ASP  71           HA       ASP  71 -11.108  -7.289  -6.735
  573   1HB   ASP  71          1HB       ASP  71 -12.910  -6.240  -5.413
  574   2HB   ASP  71          2HB       ASP  71 -12.955  -7.997  -5.298
  575    H    LEU  72           H        LEU  72  -9.867  -6.558  -3.501
  576    HA   LEU  72           HA       LEU  72  -9.430  -3.783  -4.027
  577   1HB   LEU  72          1HB       LEU  72  -8.236  -5.577  -1.906
  578   2HB   LEU  72          2HB       LEU  72  -8.130  -3.827  -1.930
  579    HG   LEU  72           HG       LEU  72 -10.692  -5.403  -1.670
  580   1HD1  LEU  72          1HD1      LEU  72  -8.918  -5.313   0.261
  581   2HD1  LEU  72          2HD1      LEU  72  -9.556  -3.684   0.481
  582   3HD1  LEU  72          3HD1      LEU  72 -10.633  -5.076   0.599
  583   1HD2  LEU  72          1HD2      LEU  72 -10.852  -3.169  -2.794
  584   2HD2  LEU  72          2HD2      LEU  72 -11.771  -3.311  -1.295
  585   3HD2  LEU  72          3HD2      LEU  72 -10.231  -2.449  -1.308
  586    H    LEU  73           H        LEU  73  -7.542  -6.722  -4.240
  587    HA   LEU  73           HA       LEU  73  -4.979  -5.788  -4.525
  588   1HB   LEU  73          1HB       LEU  73  -6.470  -8.151  -4.915
  589   2HB   LEU  73          2HB       LEU  73  -5.532  -7.900  -6.351
  590    HG   LEU  73           HG       LEU  73  -4.282  -9.320  -4.872
  591   1HD1  LEU  73          1HD1      LEU  73  -3.151  -7.364  -6.126
  592   2HD1  LEU  73          2HD1      LEU  73  -2.971  -6.653  -4.521
  593   3HD1  LEU  73          3HD1      LEU  73  -2.240  -8.218  -4.879
  594   1HD2  LEU  73          1HD2      LEU  73  -5.573  -8.228  -2.861
  595   2HD2  LEU  73          2HD2      LEU  73  -3.992  -8.977  -2.634
  596   3HD2  LEU  73          3HD2      LEU  73  -4.126  -7.223  -2.772
  597    H    SER  74           H        SER  74  -7.515  -6.206  -6.922
  598    HA   SER  74           HA       SER  74  -6.159  -5.607  -9.248
  599   1HB   SER  74          1HB       SER  74  -8.996  -4.924  -8.463
  600   2HB   SER  74          2HB       SER  74  -8.380  -4.913 -10.117
  601    HG   SER  74           HG       SER  74  -7.897  -7.248  -8.753
  602    H    GLU  75           H        GLU  75  -7.647  -3.441  -6.893
  603    HA   GLU  75           HA       GLU  75  -7.219  -1.059  -8.358
  604   1HB   GLU  75          1HB       GLU  75  -7.532  -1.375  -5.370
  605   2HB   GLU  75          2HB       GLU  75  -7.805   0.085  -6.308
  606   1HG   GLU  75          1HG       GLU  75  -9.643  -1.051  -7.495
  607   2HG   GLU  75          2HG       GLU  75  -9.400  -2.458  -6.463
  608    H    PHE  76           H        PHE  76  -5.406  -2.601  -5.716
  609    HA   PHE  76           HA       PHE  76  -3.411  -0.663  -5.426
  610   1HB   PHE  76          1HB       PHE  76  -3.760  -2.561  -3.866
  611   2HB   PHE  76          2HB       PHE  76  -3.139  -3.662  -5.088
  612    HD1  PHE  76           HD1      PHE  76  -1.868  -0.315  -4.068
  613    HD2  PHE  76           HD2      PHE  76  -1.187  -4.516  -4.175
  614    HE1  PHE  76           HE1      PHE  76   0.405   0.036  -3.201
  615    HE2  PHE  76           HE2      PHE  76   1.092  -4.175  -3.304
  616    HZ   PHE  76           HZ       PHE  76   1.887  -1.890  -2.813
  617    H    GLY  77           H        GLY  77  -3.665  -3.436  -7.579
  618   1HA   GLY  77          1HA       GLY  77  -2.518  -4.042  -9.461
  619   2HA   GLY  77          2HA       GLY  77  -1.107  -3.293  -8.731
  620    H    GLN  78           H        GLN  78  -4.046  -1.509  -9.404
  621    HA   GLN  78           HA       GLN  78  -3.593  -0.600 -11.964
  622   1HB   GLN  78          1HB       GLN  78  -4.742   0.955  -9.640
  623   2HB   GLN  78          2HB       GLN  78  -4.897   1.410 -11.332
  624   1HG   GLN  78          1HG       GLN  78  -5.982  -1.102 -10.075
  625   2HG   GLN  78          2HG       GLN  78  -6.914   0.333 -10.498
  626   2HE2  GLN  78          2HE2      GLN  78  -6.234  -2.683 -11.461
  627   1HE2  GLN  78          1HE2      GLN  78  -6.467  -2.527 -13.166
  628    H    PHE  79           H        PHE  79  -2.364   0.791  -8.930
  629    HA   PHE  79           HA       PHE  79  -0.930   2.903 -10.176
  630   1HB   PHE  79          1HB       PHE  79  -0.686   1.623  -7.451
  631   2HB   PHE  79          2HB       PHE  79   0.297   2.992  -7.955
  632    HD1  PHE  79           HD1      PHE  79  -3.338   2.181  -8.303
  633    HD2  PHE  79           HD2      PHE  79  -0.379   4.890  -6.887
  634    HE1  PHE  79           HE1      PHE  79  -5.107   3.721  -7.563
  635    HE2  PHE  79           HE2      PHE  79  -2.143   6.434  -6.141
  636    HZ   PHE  79           HZ       PHE  79  -4.511   5.852  -6.481
  637    H    LEU  80           H        LEU  80   0.045  -0.258  -8.898
  638    HA   LEU  80           HA       LEU  80   2.778  -0.046  -9.557
  639   1HB   LEU  80          1HB       LEU  80   1.201  -2.611  -9.418
  640   2HB   LEU  80          2HB       LEU  80   2.908  -2.384  -9.094
  641    HG   LEU  80           HG       LEU  80   0.631  -1.375  -7.387
  642   1HD1  LEU  80          1HD1      LEU  80   1.902  -3.894  -7.519
  643   2HD1  LEU  80          2HD1      LEU  80   2.444  -3.103  -6.039
  644   3HD1  LEU  80          3HD1      LEU  80   0.721  -3.322  -6.340
  645   1HD2  LEU  80          1HD2      LEU  80   2.850  -0.016  -7.555
  646   2HD2  LEU  80          2HD2      LEU  80   2.143  -0.365  -5.975
  647   3HD2  LEU  80          3HD2      LEU  80   3.500  -1.325  -6.567
  648    HA   PRO  81           HA       PRO  81   2.556  -0.450 -13.983
  649   1HB   PRO  81          1HB       PRO  81   5.115  -1.387 -14.392
  650   2HB   PRO  81          2HB       PRO  81   4.695   0.316 -14.189
  651   1HG   PRO  81          1HG       PRO  81   5.784  -1.618 -12.189
  652   2HG   PRO  81          2HG       PRO  81   6.185   0.092 -12.431
  653   1HD   PRO  81          1HD       PRO  81   4.568  -0.724 -10.439
  654   2HD   PRO  81          2HD       PRO  81   4.318   0.823 -11.276
  655    H    GLU  82           H        GLU  82   1.211  -2.097 -14.487
  656    HA   GLU  82           HA       GLU  82   1.614  -4.804 -13.764
  657   1HB   GLU  82          1HB       GLU  82  -0.120  -3.626 -15.943
  658   2HB   GLU  82          2HB       GLU  82  -0.225  -5.275 -15.343
  659   1HG   GLU  82          1HG       GLU  82  -0.829  -4.428 -13.130
  660   2HG   GLU  82          2HG       GLU  82  -0.734  -2.777 -13.741
  661    H    ALA  83           H        ALA  83   2.361  -6.553 -14.945
  662    HA   ALA  83           HA       ALA  83   3.275  -6.254 -17.654
  663   1HB   ALA  83          1HB       ALA  83   5.341  -5.566 -17.222
  664   2HB   ALA  83          2HB       ALA  83   5.635  -7.124 -16.451
  665   3HB   ALA  83          3HB       ALA  83   5.101  -5.749 -15.484
  666    H    LYS  84           H        LYS  84   3.698  -8.228 -14.703
  667    HA   LYS  84           HA       LYS  84   4.032 -10.654 -16.165
  668   1HB   LYS  84          1HB       LYS  84   3.351 -10.209 -13.253
  669   2HB   LYS  84          2HB       LYS  84   3.811 -11.753 -13.957
  670   1HG   LYS  84          1HG       LYS  84   5.984 -10.725 -14.615
  671   2HG   LYS  84          2HG       LYS  84   5.513  -9.283 -13.713
  672   1HD   LYS  84          1HD       LYS  84   6.933 -10.679 -12.338
  673   2HD   LYS  84          2HD       LYS  84   5.297 -10.665 -11.678
  674   1HE   LYS  84          1HE       LYS  84   6.278 -12.915 -11.661
  675   2HE   LYS  84          2HE       LYS  84   4.842 -12.826 -12.681
  676   1HZ   LYS  84          1HZ       LYS  84   7.587 -12.570 -13.767
  677   2HZ   LYS  84          2HZ       LYS  84   6.801 -14.062 -13.626
  678   3HZ   LYS  84          3HZ       LYS  84   6.154 -12.853 -14.618
  679    H    ARG  85           H        ARG  85   2.271 -12.252 -14.400
  680    HA   ARG  85           HA       ARG  85   0.032 -12.424 -16.117
  681   1HB   ARG  85          1HB       ARG  85   0.907 -14.364 -14.915
  682   2HB   ARG  85          2HB       ARG  85   0.480 -13.626 -13.379
  683   1HG   ARG  85          1HG       ARG  85  -1.883 -13.734 -13.974
  684   2HG   ARG  85          2HG       ARG  85  -1.460 -14.460 -15.526
  685   1HD   ARG  85          1HD       ARG  85  -0.874 -15.638 -12.810
  686   2HD   ARG  85          2HD       ARG  85  -2.175 -16.142 -13.888
  687    HE   ARG  85           HE       ARG  85   0.510 -16.989 -14.000
  688   1HH1  ARG  85          1HH1      ARG  85  -2.121 -16.045 -16.087
  689   2HH1  ARG  85          2HH1      ARG  85  -1.559 -16.982 -17.431
  690   1HH2  ARG  85          1HH2      ARG  85   1.251 -18.226 -15.766
  691   2HH2  ARG  85          2HH2      ARG  85   0.359 -18.216 -17.249
  692    H1   ASN   1           H1       ASN   1   4.126   7.075  -5.729
  693    H2   ASN   1           H2       ASN   1   3.983   7.284  -7.402
  694    H3   ASN   1           H3       ASN   1   3.296   8.414  -6.347
  695    HA   ASN   1           HA       ASN   1   1.421   7.282  -6.745
  696   1HB   ASN   1          1HB       ASN   1   3.168   4.864  -7.265
  697   2HB   ASN   1          2HB       ASN   1   1.426   4.927  -7.509
  698   2HD2  ASN   1          2HD2      ASN   1   2.421   7.915  -8.311
  699   1HD2  ASN   1          1HD2      ASN   1   2.699   7.701 -10.001
  700    H    ILE   2           H        ILE   2   3.818   5.302  -5.029
  701    HA   ILE   2           HA       ILE   2   1.927   4.212  -3.196
  702    HB   ILE   2           HB       ILE   2   4.944   4.326  -3.059
  703   1HG1  ILE   2          1HG1      ILE   2   4.072   3.010  -4.936
  704   2HG1  ILE   2          2HG1      ILE   2   4.814   1.964  -3.730
  705   1HG2  ILE   2          1HG2      ILE   2   2.931   2.978  -1.281
  706   2HG2  ILE   2          2HG2      ILE   2   4.602   2.425  -1.397
  707   3HG2  ILE   2          3HG2      ILE   2   4.251   4.057  -0.828
  708   1HD1  ILE   2          1HD1      ILE   2   1.936   2.371  -3.377
  709   2HD1  ILE   2          2HD1      ILE   2   2.393   1.546  -4.868
  710   3HD1  ILE   2          3HD1      ILE   2   2.897   0.893  -3.309
  711    H    GLN   3           H        GLN   3   4.126   6.967  -3.128
  712    HA   GLN   3           HA       GLN   3   4.051   7.589  -0.428
  713   1HB   GLN   3          1HB       GLN   3   5.497   8.717  -2.089
  714   2HB   GLN   3          2HB       GLN   3   4.087   9.532  -2.748
  715   1HG   GLN   3          1HG       GLN   3   4.823   9.834   0.134
  716   2HG   GLN   3          2HG       GLN   3   5.620  10.792  -1.109
  717   2HE2  GLN   3          2HE2      GLN   3   2.767  10.441  -2.462
  718   1HE2  GLN   3          1HE2      GLN   3   1.900  11.771  -1.786
  719    H    MET   4           H        MET   4   1.749   8.392  -2.984
  720    HA   MET   4           HA       MET   4   0.079  10.012  -1.354
  721   1HB   MET   4          1HB       MET   4  -0.554   8.555  -3.925
  722   2HB   MET   4          2HB       MET   4  -1.551   9.804  -3.191
  723   1HG   MET   4          1HG       MET   4   0.263  11.417  -3.475
  724   2HG   MET   4          2HG       MET   4   1.256  10.165  -4.220
  725   1HE   MET   4          1HE       MET   4   1.184  12.596  -5.422
  726   2HE   MET   4          2HE       MET   4   1.363  11.732  -6.950
  727   3HE   MET   4          3HE       MET   4   0.097  12.946  -6.766
  728    H    LEU   5           H        LEU   5  -0.022   6.598  -2.310
  729    HA   LEU   5           HA       LEU   5  -2.512   6.007  -1.130
  730   1HB   LEU   5          1HB       LEU   5  -1.233   4.605  -2.806
  731   2HB   LEU   5          2HB       LEU   5  -0.224   4.074  -1.471
  732    HG   LEU   5           HG       LEU   5  -2.156   3.074  -0.367
  733   1HD1  LEU   5          1HD1      LEU   5  -3.600   4.753  -2.166
  734   2HD1  LEU   5          2HD1      LEU   5  -4.084   3.078  -2.425
  735   3HD1  LEU   5          3HD1      LEU   5  -4.205   3.793  -0.817
  736   1HD2  LEU   5          1HD2      LEU   5  -1.078   2.261  -2.900
  737   2HD2  LEU   5          2HD2      LEU   5  -1.572   1.272  -1.525
  738   3HD2  LEU   5          3HD2      LEU   5  -2.753   1.730  -2.753
  739    H    LEU   6           H        LEU   6   0.796   5.589   0.084
  740    HA   LEU   6           HA       LEU   6   0.087   4.537   2.595
  741   1HB   LEU   6          1HB       LEU   6   2.320   4.278   1.747
  742   2HB   LEU   6          2HB       LEU   6   2.542   6.014   1.657
  743    HG   LEU   6           HG       LEU   6   2.578   6.186   4.073
  744   1HD1  LEU   6          1HD1      LEU   6   1.926   3.253   3.987
  745   2HD1  LEU   6          2HD1      LEU   6   2.619   4.034   5.408
  746   3HD1  LEU   6          3HD1      LEU   6   1.046   4.547   4.798
  747   1HD2  LEU   6          1HD2      LEU   6   4.429   4.514   2.560
  748   2HD2  LEU   6          2HD2      LEU   6   4.749   5.846   3.674
  749   3HD2  LEU   6          3HD2      LEU   6   4.477   4.220   4.299
  750    H    GLU   7           H        GLU   7   0.713   7.841   1.494
  751    HA   GLU   7           HA       GLU   7   0.475   9.095   4.008
  752   1HB   GLU   7          1HB       GLU   7   1.468  10.216   2.067
  753   2HB   GLU   7          2HB       GLU   7  -0.087  10.195   1.245
  754   1HG   GLU   7          1HG       GLU   7   0.396  12.386   2.179
  755   2HG   GLU   7          2HG       GLU   7  -1.024  11.665   2.935
  756    H    ALA   8           H        ALA   8  -1.854   8.101   1.598
  757    HA   ALA   8           HA       ALA   8  -4.118   9.486   2.399
  758   1HB   ALA   8          1HB       ALA   8  -3.576   6.985   0.940
  759   2HB   ALA   8          2HB       ALA   8  -4.611   8.349   0.515
  760   3HB   ALA   8          3HB       ALA   8  -5.187   7.124   1.646
  761    H    ALA   9           H        ALA   9  -2.703   6.534   3.705
  762    HA   ALA   9           HA       ALA   9  -4.741   5.710   5.396
  763   1HB   ALA   9          1HB       ALA   9  -1.757   5.461   5.554
  764   2HB   ALA   9          2HB       ALA   9  -2.954   4.231   5.150
  765   3HB   ALA   9          3HB       ALA   9  -2.801   4.799   6.812
  766    H    ASP  10           H        ASP  10  -2.127   8.028   6.003
  767    HA   ASP  10           HA       ASP  10  -2.766   8.562   8.694
  768   1HB   ASP  10          1HB       ASP  10  -0.603   9.149   7.623
  769   2HB   ASP  10          2HB       ASP  10  -1.426  10.393   6.689
  770    H    TYR  11           H        TYR  11  -3.833  10.002   5.659
  771    HA   TYR  11           HA       TYR  11  -5.175  12.237   6.615
  772   1HB   TYR  11          1HB       TYR  11  -4.819  11.901   4.246
  773   2HB   TYR  11          2HB       TYR  11  -5.827  10.458   4.259
  774    HD1  TYR  11           HD1      TYR  11  -6.175  14.025   5.360
  775    HD2  TYR  11           HD2      TYR  11  -7.889  10.724   3.292
  776    HE1  TYR  11           HE1      TYR  11  -8.146  15.393   4.822
  777    HE2  TYR  11           HE2      TYR  11  -9.860  12.085   2.744
  778    HH   TYR  11           HH       TYR  11 -10.310  15.297   4.084
  779    H    LEU  12           H        LEU  12  -6.546   9.013   5.946
  780    HA   LEU  12           HA       LEU  12  -9.117   9.606   6.916
  781   1HB   LEU  12          1HB       LEU  12  -7.690   6.963   6.638
  782   2HB   LEU  12          2HB       LEU  12  -9.395   7.125   7.012
  783    HG   LEU  12           HG       LEU  12  -8.085   8.118   4.477
  784   1HD1  LEU  12          1HD1      LEU  12  -9.475   5.576   5.191
  785   2HD1  LEU  12          2HD1      LEU  12  -9.656   6.235   3.564
  786   3HD1  LEU  12          3HD1      LEU  12  -8.052   5.836   4.183
  787   1HD2  LEU  12          1HD2      LEU  12 -10.528   8.815   5.694
  788   2HD2  LEU  12          2HD2      LEU  12  -9.960   9.230   4.076
  789   3HD2  LEU  12          3HD2      LEU  12 -10.916   7.770   4.328
  790    H    GLU  13           H        GLU  13  -6.331   8.053   8.489
  791    HA   GLU  13           HA       GLU  13  -7.637   7.559  10.949
  792   1HB   GLU  13          1HB       GLU  13  -4.693   7.893  10.350
  793   2HB   GLU  13          2HB       GLU  13  -5.344   7.290  11.866
  794   1HG   GLU  13          1HG       GLU  13  -6.341   5.398  10.683
  795   2HG   GLU  13          2HG       GLU  13  -5.677   6.002   9.165

  No H/Q in entry =         795
  Start of MODEL    4
    1    H1   GLU   1           H1       GLU   1 -11.871  19.703   0.792
    2    H2   GLU   1           H2       GLU   1 -12.706  21.144   1.096
    3    H3   GLU   1           H3       GLU   1 -13.506  19.839   0.379
    4    HA   GLU   1           HA       GLU   1 -13.121  21.123  -1.444
    5   1HB   GLU   1          1HB       GLU   1 -11.037  22.450  -1.708
    6   2HB   GLU   1          2HB       GLU   1 -11.946  22.877  -0.266
    7   1HG   GLU   1          1HG       GLU   1 -10.421  21.532   1.092
    8   2HG   GLU   1          2HG       GLU   1  -9.507  21.115  -0.355
    9    H    SER   2           H        SER   2 -10.389  19.321  -0.099
   10    HA   SER   2           HA       SER   2  -9.014  17.726  -0.920
   11   1HB   SER   2          1HB       SER   2  -9.960  16.060  -2.416
   12   2HB   SER   2          2HB       SER   2 -11.160  16.523  -1.211
   13    HG   SER   2           HG       SER   2 -12.389  17.264  -2.744
   14    H    ASP   3           H        ASP   3  -7.263  17.778  -2.155
   15    HA   ASP   3           HA       ASP   3  -6.984  19.771  -4.168
   16   1HB   ASP   3          1HB       ASP   3  -5.129  17.515  -3.374
   17   2HB   ASP   3          2HB       ASP   3  -4.694  18.860  -4.424
   18    H    SER   4           H        SER   4  -5.154  17.613  -5.607
   19    HA   SER   4           HA       SER   4  -6.651  17.347  -7.901
   20   1HB   SER   4          1HB       SER   4  -4.973  15.360  -8.255
   21   2HB   SER   4          2HB       SER   4  -4.413  17.019  -8.271
   22    HG   SER   4           HG       SER   4  -3.269  15.375  -6.900
   23    H    VAL   5           H        VAL   5  -7.632  15.630  -8.890
   24    HA   VAL   5           HA       VAL   5  -9.484  14.180  -7.415
   25    HB   VAL   5           HB       VAL   5  -8.354  13.645 -10.163
   26   1HG1  VAL   5          1HG1      VAL   5  -9.371  11.613  -9.229
   27   2HG1  VAL   5          2HG1      VAL   5 -10.853  12.510  -8.895
   28   3HG1  VAL   5          3HG1      VAL   5 -10.330  12.260 -10.561
   29   1HG2  VAL   5          1HG2      VAL   5 -10.602  15.300  -9.110
   30   2HG2  VAL   5          2HG2      VAL   5  -9.406  15.680 -10.349
   31   3HG2  VAL   5          3HG2      VAL   5 -10.736  14.581 -10.715
   32    H    GLU   6           H        GLU   6  -6.264  13.347  -8.532
   33    HA   GLU   6           HA       GLU   6  -6.245  10.611  -8.023
   34   1HB   GLU   6          1HB       GLU   6  -3.958  12.561  -7.725
   35   2HB   GLU   6          2HB       GLU   6  -3.812  10.818  -7.905
   36   1HG   GLU   6          1HG       GLU   6  -4.809  10.960 -10.128
   37   2HG   GLU   6          2HG       GLU   6  -4.954  12.709  -9.950
   38    H    PHE   7           H        PHE   7  -5.761  13.336  -5.849
   39    HA   PHE   7           HA       PHE   7  -4.759  11.958  -3.631
   40   1HB   PHE   7          1HB       PHE   7  -4.758  14.398  -3.763
   41   2HB   PHE   7          2HB       PHE   7  -6.516  14.422  -3.718
   42    HD1  PHE   7           HD1      PHE   7  -4.109  12.461  -1.655
   43    HD2  PHE   7           HD2      PHE   7  -7.068  15.521  -1.765
   44    HE1  PHE   7           HE1      PHE   7  -4.047  12.604   0.801
   45    HE2  PHE   7           HE2      PHE   7  -7.012  15.669   0.690
   46    HZ   PHE   7           HZ       PHE   7  -5.500  14.210   1.976
   47    H    ASN   8           H        ASN   8  -8.141  12.935  -4.259
   48    HA   ASN   8           HA       ASN   8  -9.232  11.439  -2.124
   49   1HB   ASN   8          1HB       ASN   8 -10.775  12.978  -2.790
   50   2HB   ASN   8          2HB       ASN   8 -10.225  12.954  -4.461
   51   2HD2  ASN   8          2HD2      ASN   8 -11.577  12.166  -5.855
   52   1HD2  ASN   8          1HD2      ASN   8 -12.828  11.025  -5.538
   53    H    ASN   9           H        ASN   9  -8.435  10.787  -5.414
   54    HA   ASN   9           HA       ASN   9  -9.803   8.421  -5.923
   55   1HB   ASN   9          1HB       ASN   9  -8.428   9.831  -7.519
   56   2HB   ASN   9          2HB       ASN   9  -6.998   9.080  -6.838
   57   2HD2  ASN   9          2HD2      ASN   9  -8.408   9.096  -9.486
   58   1HD2  ASN   9          1HD2      ASN   9  -8.441   7.438  -9.924
   59    H    ALA  10           H        ALA  10  -6.703   9.014  -4.352
   60    HA   ALA  10           HA       ALA  10  -6.054   6.270  -3.930
   61   1HB   ALA  10          1HB       ALA  10  -4.473   7.440  -2.167
   62   2HB   ALA  10          2HB       ALA  10  -4.160   7.551  -3.899
   63   3HB   ALA  10          3HB       ALA  10  -4.942   8.890  -3.058
   64    H    ILE  11           H        ILE  11  -7.502   8.822  -1.937
   65    HA   ILE  11           HA       ILE  11  -7.579   7.528   0.513
   66    HB   ILE  11           HB       ILE  11  -9.768   9.298  -0.578
   67   1HG1  ILE  11          1HG1      ILE  11  -7.591  10.388  -0.823
   68   2HG1  ILE  11          2HG1      ILE  11  -8.531  11.167   0.441
   69   1HG2  ILE  11          1HG2      ILE  11  -9.559   7.897   1.821
   70   2HG2  ILE  11          2HG2      ILE  11  -9.152   9.567   2.222
   71   3HG2  ILE  11          3HG2      ILE  11 -10.690   9.197   1.441
   72   1HD1  ILE  11          1HD1      ILE  11  -6.874   9.080   1.527
   73   2HD1  ILE  11          2HD1      ILE  11  -5.920  10.245   0.608
   74   3HD1  ILE  11          3HD1      ILE  11  -6.943  10.794   1.934
   75    H    SER  12           H        SER  12  -9.850   7.348  -2.183
   76    HA   SER  12           HA       SER  12 -11.850   5.832  -1.015
   77   1HB   SER  12          1HB       SER  12 -10.869   5.688  -3.877
   78   2HB   SER  12          2HB       SER  12 -12.434   5.121  -3.297
   79    HG   SER  12           HG       SER  12 -11.537   7.799  -3.049
   80    H    TYR  13           H        TYR  13  -8.783   4.781  -2.432
   81    HA   TYR  13           HA       TYR  13  -9.329   2.003  -2.349
   82   1HB   TYR  13          1HB       TYR  13  -7.519   2.957  -3.714
   83   2HB   TYR  13          2HB       TYR  13  -6.664   3.433  -2.253
   84    HD1  TYR  13           HD1      TYR  13  -8.298   0.289  -3.471
   85    HD2  TYR  13           HD2      TYR  13  -4.830   2.115  -1.816
   86    HE1  TYR  13           HE1      TYR  13  -7.183  -1.900  -3.408
   87    HE2  TYR  13           HE2      TYR  13  -3.706  -0.070  -1.748
   88    HH   TYR  13           HH       TYR  13  -5.198  -2.907  -1.892
   89    H    VAL  14           H        VAL  14  -7.302   4.013  -0.225
   90    HA   VAL  14           HA       VAL  14  -6.742   2.075   1.703
   91    HB   VAL  14           HB       VAL  14  -7.081   5.030   2.220
   92   1HG1  VAL  14          1HG1      VAL  14  -6.889   3.671   4.242
   93   2HG1  VAL  14          2HG1      VAL  14  -5.400   2.955   3.623
   94   3HG1  VAL  14          3HG1      VAL  14  -5.459   4.675   4.007
   95   1HG2  VAL  14          1HG2      VAL  14  -5.613   4.619   0.296
   96   2HG2  VAL  14          2HG2      VAL  14  -4.722   5.261   1.677
   97   3HG2  VAL  14          3HG2      VAL  14  -4.626   3.544   1.287
   98    H    ASN  15           H        ASN  15  -9.389   4.397   1.538
   99    HA   ASN  15           HA       ASN  15 -10.578   3.852   4.015
  100   1HB   ASN  15          1HB       ASN  15 -11.000   5.741   2.302
  101   2HB   ASN  15          2HB       ASN  15 -12.147   4.631   1.585
  102   2HD2  ASN  15          2HD2      ASN  15 -11.822   7.098   3.686
  103   1HD2  ASN  15          1HD2      ASN  15 -13.225   6.855   4.656
  104    H    LYS  16           H        LYS  16 -11.398   2.673   0.773
  105    HA   LYS  16           HA       LYS  16 -13.498   0.990   1.452
  106   1HB   LYS  16          1HB       LYS  16 -12.864   1.500  -0.880
  107   2HB   LYS  16          2HB       LYS  16 -11.411   0.524  -0.696
  108   1HG   LYS  16          1HG       LYS  16 -12.836  -1.453  -0.291
  109   2HG   LYS  16          2HG       LYS  16 -14.254  -0.453  -0.591
  110   1HD   LYS  16          1HD       LYS  16 -12.043  -0.735  -2.592
  111   2HD   LYS  16          2HD       LYS  16 -13.408  -1.854  -2.523
  112   1HE   LYS  16          1HE       LYS  16 -13.965  -0.218  -4.117
  113   2HE   LYS  16          2HE       LYS  16 -14.914   0.151  -2.687
  114   1HZ   LYS  16          1HZ       LYS  16 -12.326   1.471  -2.939
  115   2HZ   LYS  16          2HZ       LYS  16 -13.549   1.986  -3.987
  116   3HZ   LYS  16          3HZ       LYS  16 -13.784   2.057  -2.313
  117    H    ILE  17           H        ILE  17 -10.030   0.405   1.519
  118    HA   ILE  17           HA       ILE  17 -10.095  -2.339   2.139
  119    HB   ILE  17           HB       ILE  17  -8.042  -0.217   2.787
  120   1HG1  ILE  17          1HG1      ILE  17  -8.059  -2.369   0.661
  121   2HG1  ILE  17          2HG1      ILE  17  -8.482  -0.684   0.381
  122   1HG2  ILE  17          1HG2      ILE  17  -8.009  -3.178   3.242
  123   2HG2  ILE  17          2HG2      ILE  17  -6.515  -2.274   2.985
  124   3HG2  ILE  17          3HG2      ILE  17  -7.563  -1.875   4.346
  125   1HD1  ILE  17          1HD1      ILE  17  -5.834  -1.338   1.570
  126   2HD1  ILE  17          2HD1      ILE  17  -6.092  -1.563  -0.159
  127   3HD1  ILE  17          3HD1      ILE  17  -6.313   0.029   0.564
  128    H    LYS  18           H        LYS  18 -10.228   0.569   4.102
  129    HA   LYS  18           HA       LYS  18 -10.019  -0.697   6.629
  130   1HB   LYS  18          1HB       LYS  18  -9.631   1.761   6.098
  131   2HB   LYS  18          2HB       LYS  18 -11.377   1.930   6.035
  132   1HG   LYS  18          1HG       LYS  18 -11.599   1.330   8.338
  133   2HG   LYS  18          2HG       LYS  18  -9.887   0.919   8.443
  134   1HD   LYS  18          1HD       LYS  18 -10.348   3.110   9.436
  135   2HD   LYS  18          2HD       LYS  18  -9.288   3.246   8.033
  136   1HE   LYS  18          1HE       LYS  18 -10.981   4.996   8.016
  137   2HE   LYS  18          2HE       LYS  18 -11.197   3.899   6.653
  138   1HZ   LYS  18          1HZ       LYS  18 -12.919   2.749   7.981
  139   2HZ   LYS  18          2HZ       LYS  18 -12.773   3.946   9.168
  140   3HZ   LYS  18          3HZ       LYS  18 -13.317   4.352   7.619
  141    H    THR  19           H        THR  19 -12.789   0.520   4.779
  142    HA   THR  19           HA       THR  19 -14.749  -0.311   6.651
  143    HB   THR  19           HB       THR  19 -15.079   1.494   4.935
  144    HG1  THR  19           HG1      THR  19 -17.122   1.104   5.314
  145   1HG2  THR  19          1HG2      THR  19 -14.335  -0.548   3.151
  146   2HG2  THR  19          2HG2      THR  19 -16.035  -0.207   2.830
  147   3HG2  THR  19          3HG2      THR  19 -14.847   1.094   2.758
  148    H    ARG  20           H        ARG  20 -13.153  -1.901   3.996
  149    HA   ARG  20           HA       ARG  20 -15.054  -3.963   3.606
  150   1HB   ARG  20          1HB       ARG  20 -13.443  -3.549   1.882
  151   2HB   ARG  20          2HB       ARG  20 -12.101  -3.803   2.996
  152   1HG   ARG  20          1HG       ARG  20 -12.448  -5.695   1.465
  153   2HG   ARG  20          2HG       ARG  20 -12.622  -6.150   3.159
  154   1HD   ARG  20          1HD       ARG  20 -15.070  -5.949   2.924
  155   2HD   ARG  20          2HD       ARG  20 -14.855  -5.598   1.210
  156    HE   ARG  20           HE       ARG  20 -14.925  -8.148   2.383
  157   1HH1  ARG  20          1HH1      ARG  20 -13.110  -6.349   0.009
  158   2HH1  ARG  20          2HH1      ARG  20 -12.676  -7.754  -0.907
  159   1HH2  ARG  20          1HH2      ARG  20 -14.359  -9.995   1.182
  160   2HH2  ARG  20          2HH2      ARG  20 -13.383  -9.825  -0.238
  161    H    PHE  21           H        PHE  21 -11.902  -4.035   5.260
  162    HA   PHE  21           HA       PHE  21 -12.662  -6.500   6.592
  163   1HB   PHE  21          1HB       PHE  21 -10.070  -4.952   6.701
  164   2HB   PHE  21          2HB       PHE  21 -10.346  -6.547   7.387
  165    HD1  PHE  21           HD1      PHE  21 -10.246  -4.668   4.197
  166    HD2  PHE  21           HD2      PHE  21 -10.091  -8.472   6.094
  167    HE1  PHE  21           HE1      PHE  21  -9.546  -5.695   2.075
  168    HE2  PHE  21           HE2      PHE  21  -9.379  -9.504   3.982
  169    HZ   PHE  21           HZ       PHE  21  -9.112  -8.116   1.964
  170    H    LEU  22           H        LEU  22 -14.180  -4.239   7.406
  171    HA   LEU  22           HA       LEU  22 -13.277  -2.936   9.690
  172   1HB   LEU  22          1HB       LEU  22 -16.037  -3.845   8.906
  173   2HB   LEU  22          2HB       LEU  22 -15.735  -2.907  10.350
  174    HG   LEU  22           HG       LEU  22 -15.090  -1.992   7.552
  175   1HD1  LEU  22          1HD1      LEU  22 -17.584  -2.193   8.743
  176   2HD1  LEU  22          2HD1      LEU  22 -17.118  -0.511   8.991
  177   3HD1  LEU  22          3HD1      LEU  22 -17.154  -1.185   7.361
  178   1HD2  LEU  22          1HD2      LEU  22 -14.925  -0.652  10.242
  179   2HD2  LEU  22          2HD2      LEU  22 -13.621  -0.930   9.089
  180   3HD2  LEU  22          3HD2      LEU  22 -14.895   0.228   8.714
  181    H    ASP  23           H        ASP  23 -14.549  -6.164   9.276
  182    HA   ASP  23           HA       ASP  23 -14.770  -6.754  12.064
  183   1HB   ASP  23          1HB       ASP  23 -16.143  -7.912  10.400
  184   2HB   ASP  23          2HB       ASP  23 -14.697  -8.601   9.673
  185    H    HIS  24           H        HIS  24 -12.345  -7.261   9.557
  186    HA   HIS  24           HA       HIS  24 -10.556  -8.510  11.502
  187   1HB   HIS  24          1HB       HIS  24 -10.434  -8.384   8.486
  188   2HB   HIS  24          2HB       HIS  24  -9.287  -9.213   9.518
  189    HD1  HIS  24           HD1      HIS  24 -10.690 -11.029  11.225
  190    HD2  HIS  24           HD2      HIS  24 -12.223 -10.119   7.471
  191    HE1  HIS  24           HE1      HIS  24 -12.256 -12.913  10.664
  192    HE2  HIS  24           HE2      HIS  24 -13.113 -12.381   8.356
  193    HA   PRO  25           HA       PRO  25  -9.037  -4.088  11.197
  194   1HB   PRO  25          1HB       PRO  25  -7.934  -4.171  13.697
  195   2HB   PRO  25          2HB       PRO  25  -9.575  -3.627  13.353
  196   1HG   PRO  25          1HG       PRO  25  -8.630  -6.307  14.302
  197   2HG   PRO  25          2HG       PRO  25 -10.028  -5.357  14.843
  198   1HD   PRO  25          1HD       PRO  25 -10.347  -7.406  13.164
  199   2HD   PRO  25          2HD       PRO  25 -11.290  -5.916  12.965
  200    H    GLU  26           H        GLU  26  -7.455  -7.019  12.379
  201    HA   GLU  26           HA       GLU  26  -4.815  -6.241  12.371
  202   1HB   GLU  26          1HB       GLU  26  -4.259  -8.604  11.953
  203   2HB   GLU  26          2HB       GLU  26  -5.529  -8.428  13.158
  204   1HG   GLU  26          1HG       GLU  26  -7.209  -8.976  11.478
  205   2HG   GLU  26          2HG       GLU  26  -5.942  -9.138  10.263
  206    H    ILE  27           H        ILE  27  -6.866  -7.008   9.638
  207    HA   ILE  27           HA       ILE  27  -4.868  -7.274   7.665
  208    HB   ILE  27           HB       ILE  27  -7.585  -6.108   7.121
  209   1HG1  ILE  27          1HG1      ILE  27  -7.722  -8.102   8.683
  210   2HG1  ILE  27          2HG1      ILE  27  -8.596  -8.255   7.167
  211   1HG2  ILE  27          1HG2      ILE  27  -5.925  -6.284   5.292
  212   2HG2  ILE  27          2HG2      ILE  27  -5.887  -8.030   5.535
  213   3HG2  ILE  27          3HG2      ILE  27  -7.377  -7.244   5.009
  214   1HD1  ILE  27          1HD1      ILE  27  -5.832  -9.332   7.360
  215   2HD1  ILE  27          2HD1      ILE  27  -7.172 -10.219   8.089
  216   3HD1  ILE  27          3HD1      ILE  27  -7.188  -9.860   6.360
  217    H    TYR  28           H        TYR  28  -6.836  -4.498   8.662
  218    HA   TYR  28           HA       TYR  28  -5.852  -2.620   6.856
  219   1HB   TYR  28          1HB       TYR  28  -7.869  -2.369   8.292
  220   2HB   TYR  28          2HB       TYR  28  -6.805  -2.095   9.662
  221    HD1  TYR  28           HD1      TYR  28  -7.286  -0.801   6.200
  222    HD2  TYR  28           HD2      TYR  28  -6.478   0.105  10.272
  223    HE1  TYR  28           HE1      TYR  28  -7.269   1.602   5.654
  224    HE2  TYR  28           HE2      TYR  28  -6.464   2.508   9.745
  225    HH   TYR  28           HH       TYR  28  -5.954   3.840   7.244
  226    H    ARG  29           H        ARG  29  -4.818  -3.272  10.194
  227    HA   ARG  29           HA       ARG  29  -2.821  -1.343  10.371
  228   1HB   ARG  29          1HB       ARG  29  -3.096  -4.038  11.695
  229   2HB   ARG  29          2HB       ARG  29  -1.875  -2.859  12.142
  230   1HG   ARG  29          1HG       ARG  29  -4.835  -2.334  12.217
  231   2HG   ARG  29          2HG       ARG  29  -3.880  -2.859  13.603
  232   1HD   ARG  29          1HD       ARG  29  -2.499  -0.855  13.420
  233   2HD   ARG  29          2HD       ARG  29  -3.426  -0.337  12.013
  234    HE   ARG  29           HE       ARG  29  -5.210  -0.720  14.122
  235   1HH1  ARG  29          1HH1      ARG  29  -2.555   1.374  13.274
  236   2HH1  ARG  29          2HH1      ARG  29  -3.160   2.720  14.181
  237   1HH2  ARG  29          1HH2      ARG  29  -6.013   1.048  15.317
  238   2HH2  ARG  29          2HH2      ARG  29  -5.123   2.533  15.344
  239    H    SER  30           H        SER  30  -2.417  -4.807   9.637
  240    HA   SER  30           HA       SER  30   0.305  -4.800   9.181
  241   1HB   SER  30          1HB       SER  30  -1.801  -6.495   7.824
  242   2HB   SER  30          2HB       SER  30  -0.072  -6.840   7.828
  243    HG   SER  30           HG       SER  30  -1.736  -7.683   9.572
  244    H    PHE  31           H        PHE  31  -2.278  -4.323   6.764
  245    HA   PHE  31           HA       PHE  31  -0.736  -4.052   4.490
  246   1HB   PHE  31          1HB       PHE  31  -3.134  -4.119   4.327
  247   2HB   PHE  31          2HB       PHE  31  -3.293  -2.645   5.278
  248    HD1  PHE  31           HD1      PHE  31  -1.665  -3.836   2.140
  249    HD2  PHE  31           HD2      PHE  31  -3.698  -0.685   4.159
  250    HE1  PHE  31           HE1      PHE  31  -1.663  -2.513   0.066
  251    HE2  PHE  31           HE2      PHE  31  -3.703   0.641   2.085
  252    HZ   PHE  31           HZ       PHE  31  -2.683  -0.271   0.036
  253    H    LEU  32           H        LEU  32  -1.724  -1.492   6.752
  254    HA   LEU  32           HA       LEU  32  -0.464   0.640   5.462
  255   1HB   LEU  32          1HB       LEU  32  -0.952   0.265   8.416
  256   2HB   LEU  32          2HB       LEU  32  -0.599   1.790   7.629
  257    HG   LEU  32           HG       LEU  32  -3.055   0.100   7.168
  258   1HD1  LEU  32          1HD1      LEU  32  -2.640   1.539   9.352
  259   2HD1  LEU  32          2HD1      LEU  32  -3.161   2.841   8.282
  260   3HD1  LEU  32          3HD1      LEU  32  -4.215   1.455   8.564
  261   1HD2  LEU  32          1HD2      LEU  32  -1.957   2.512   5.835
  262   2HD2  LEU  32          2HD2      LEU  32  -2.857   1.157   5.159
  263   3HD2  LEU  32          3HD2      LEU  32  -3.701   2.408   6.070
  264    H    GLU  33           H        GLU  33   0.737  -1.628   7.887
  265    HA   GLU  33           HA       GLU  33   3.262  -0.417   8.278
  266   1HB   GLU  33          1HB       GLU  33   2.334  -2.102   9.817
  267   2HB   GLU  33          2HB       GLU  33   2.461  -3.326   8.561
  268   1HG   GLU  33          1HG       GLU  33   4.888  -3.071   8.553
  269   2HG   GLU  33          2HG       GLU  33   4.762  -1.842   9.811
  270    H    ILE  34           H        ILE  34   1.987  -2.562   5.825
  271    HA   ILE  34           HA       ILE  34   4.414  -3.475   4.734
  272    HB   ILE  34           HB       ILE  34   1.774  -2.992   3.367
  273   1HG1  ILE  34          1HG1      ILE  34   3.007  -5.504   4.519
  274   2HG1  ILE  34          2HG1      ILE  34   1.712  -4.573   5.265
  275   1HG2  ILE  34          1HG2      ILE  34   4.294  -3.574   2.241
  276   2HG2  ILE  34          2HG2      ILE  34   3.348  -5.060   2.177
  277   3HG2  ILE  34          3HG2      ILE  34   2.720  -3.583   1.444
  278   1HD1  ILE  34          1HD1      ILE  34   0.935  -5.176   2.624
  279   2HD1  ILE  34          2HD1      ILE  34   1.534  -6.654   3.371
  280   3HD1  ILE  34          3HD1      ILE  34   0.234  -5.742   4.139
  281    H    LEU  35           H        LEU  35   2.294  -0.800   3.711
  282    HA   LEU  35           HA       LEU  35   4.051   0.255   1.766
  283   1HB   LEU  35          1HB       LEU  35   1.929   1.676   3.388
  284   2HB   LEU  35          2HB       LEU  35   2.666   2.287   1.915
  285    HG   LEU  35           HG       LEU  35   1.048  -0.260   2.016
  286   1HD1  LEU  35          1HD1      LEU  35   0.200   2.531   2.007
  287   2HD1  LEU  35          2HD1      LEU  35  -0.452   1.592   0.665
  288   3HD1  LEU  35          3HD1      LEU  35  -0.726   1.064   2.325
  289   1HD2  LEU  35          1HD2      LEU  35   2.776   0.673   0.098
  290   2HD2  LEU  35          2HD2      LEU  35   1.450  -0.458  -0.178
  291   3HD2  LEU  35          3HD2      LEU  35   1.212   1.269  -0.463
  292    H    HIS  36           H        HIS  36   3.607   0.835   5.189
  293    HA   HIS  36           HA       HIS  36   5.263   3.068   5.513
  294   1HB   HIS  36          1HB       HIS  36   3.916   1.118   7.202
  295   2HB   HIS  36          2HB       HIS  36   5.445   1.629   7.894
  296    HD1  HIS  36           HD1      HIS  36   5.604   4.523   7.545
  297    HD2  HIS  36           HD2      HIS  36   1.959   2.646   8.205
  298    HE1  HIS  36           HE1      HIS  36   4.080   6.313   8.439
  299    HE2  HIS  36           HE2      HIS  36   1.896   5.140   8.891
  300    H    THR  37           H        THR  37   5.994  -0.397   5.819
  301    HA   THR  37           HA       THR  37   8.691  -0.130   6.554
  302    HB   THR  37           HB       THR  37   7.350  -2.379   5.033
  303    HG1  THR  37           HG1      THR  37   7.510  -3.310   7.257
  304   1HG2  THR  37          1HG2      THR  37  10.118  -1.947   5.783
  305   2HG2  THR  37          2HG2      THR  37   9.462  -3.409   6.520
  306   3HG2  THR  37          3HG2      THR  37   9.410  -3.206   4.769
  307    H    TYR  38           H        TYR  38   7.070  -0.208   3.451
  308    HA   TYR  38           HA       TYR  38   9.195  -0.519   1.708
  309   1HB   TYR  38          1HB       TYR  38   6.999  -0.532   0.825
  310   2HB   TYR  38          2HB       TYR  38   6.624   1.037   1.516
  311    HD1  TYR  38           HD1      TYR  38   9.101  -0.449  -0.864
  312    HD2  TYR  38           HD2      TYR  38   6.553   2.818   0.089
  313    HE1  TYR  38           HE1      TYR  38   9.736   0.652  -2.971
  314    HE2  TYR  38           HE2      TYR  38   7.171   3.925  -2.019
  315    HH   TYR  38           HH       TYR  38   9.479   3.670  -3.620
  316    H    GLN  39           H        GLN  39   7.726   2.560   2.701
  317    HA   GLN  39           HA       GLN  39   9.674   4.196   1.543
  318   1HB   GLN  39          1HB       GLN  39   7.801   4.736   3.839
  319   2HB   GLN  39          2HB       GLN  39   8.806   5.969   3.086
  320   1HG   GLN  39          1HG       GLN  39   7.679   5.215   0.891
  321   2HG   GLN  39          2HG       GLN  39   6.477   4.481   1.951
  322   2HE2  GLN  39          2HE2      GLN  39   7.770   7.134   3.469
  323   1HE2  GLN  39          1HE2      GLN  39   6.583   8.304   3.036
  324    H    LYS  40           H        LYS  40   9.510   2.832   4.808
  325    HA   LYS  40           HA       LYS  40  11.508   4.277   6.044
  326   1HB   LYS  40          1HB       LYS  40  10.776   1.368   6.358
  327   2HB   LYS  40          2HB       LYS  40  11.898   2.203   7.423
  328   1HG   LYS  40          1HG       LYS  40  10.125   3.767   8.057
  329   2HG   LYS  40          2HG       LYS  40   9.002   2.913   7.000
  330   1HD   LYS  40          1HD       LYS  40   8.718   2.212   9.319
  331   2HD   LYS  40          2HD       LYS  40   9.301   0.876   8.324
  332   1HE   LYS  40          1HE       LYS  40  10.474   0.939  10.455
  333   2HE   LYS  40          2HE       LYS  40  11.579   1.279   9.124
  334   1HZ   LYS  40          1HZ       LYS  40  11.354   3.651   9.626
  335   2HZ   LYS  40          2HZ       LYS  40  10.354   3.285  10.940
  336   3HZ   LYS  40          3HZ       LYS  40  11.971   2.789  10.944
  337    H    GLU  41           H        GLU  41  11.937   1.197   4.282
  338    HA   GLU  41           HA       GLU  41  14.786   1.332   4.443
  339   1HB   GLU  41          1HB       GLU  41  13.558  -0.804   4.257
  340   2HB   GLU  41          2HB       GLU  41  13.052  -0.356   2.632
  341   1HG   GLU  41          1HG       GLU  41  15.315  -0.417   1.846
  342   2HG   GLU  41          2HG       GLU  41  15.922  -0.667   3.482
  343    H    GLN  42           H        GLN  42  12.377   2.324   2.122
  344    HA   GLN  42           HA       GLN  42  13.950   2.695  -0.139
  345   1HB   GLN  42          1HB       GLN  42  11.512   2.865  -0.174
  346   2HB   GLN  42          2HB       GLN  42  11.586   4.330   0.796
  347   1HG   GLN  42          1HG       GLN  42  12.848   5.419  -1.036
  348   2HG   GLN  42          2HG       GLN  42  12.615   3.969  -2.008
  349   2HE2  GLN  42          2HE2      GLN  42   9.940   4.353  -0.095
  350   1HE2  GLN  42          1HE2      GLN  42   8.926   5.198  -1.207
  351    H    LEU  43           H        LEU  43  13.417   4.860   2.616
  352    HA   LEU  43           HA       LEU  43  14.728   7.102   1.547
  353   1HB   LEU  43          1HB       LEU  43  14.427   6.310   4.432
  354   2HB   LEU  43          2HB       LEU  43  14.860   7.905   3.855
  355    HG   LEU  43           HG       LEU  43  12.232   6.529   3.299
  356   1HD1  LEU  43          1HD1      LEU  43  12.764   7.277   5.702
  357   2HD1  LEU  43          2HD1      LEU  43  12.622   8.916   5.064
  358   3HD1  LEU  43          3HD1      LEU  43  11.250   7.813   4.972
  359   1HD2  LEU  43          1HD2      LEU  43  13.043   8.165   1.583
  360   2HD2  LEU  43          2HD2      LEU  43  11.514   8.592   2.352
  361   3HD2  LEU  43          3HD2      LEU  43  13.002   9.403   2.838
  362    H    HIS  44           H        HIS  44  16.509   7.512   3.926
  363    HA   HIS  44           HA       HIS  44  18.576   5.628   3.987
  364   1HB   HIS  44          1HB       HIS  44  20.282   6.874   2.632
  365   2HB   HIS  44          2HB       HIS  44  19.011   6.127   1.676
  366    HD1  HIS  44           HD1      HIS  44  20.415   8.236   0.223
  367    HD2  HIS  44           HD2      HIS  44  17.274   9.142   2.789
  368    HE1  HIS  44           HE1      HIS  44  19.561  10.479  -0.526
  369    HE2  HIS  44           HE2      HIS  44  17.615  10.974   0.996
  370    H    THR  45           H        THR  45  20.108   6.176   5.501
  371    HA   THR  45           HA       THR  45  19.958   8.912   6.568
  372    HB   THR  45           HB       THR  45  20.289   7.976   8.851
  373    HG1  THR  45           HG1      THR  45  21.096   5.896   8.077
  374   1HG2  THR  45          1HG2      THR  45  17.851   7.429   7.222
  375   2HG2  THR  45          2HG2      THR  45  17.915   6.834   8.881
  376   3HG2  THR  45          3HG2      THR  45  18.084   8.559   8.555
  377    H    LYS  46           H        LYS  46  21.853   9.799   6.066
  378    HA   LYS  46           HA       LYS  46  24.084  10.088   5.711
  379   1HB   LYS  46          1HB       LYS  46  24.039   8.531   8.289
  380   2HB   LYS  46          2HB       LYS  46  25.508   9.243   7.637
  381   1HG   LYS  46          1HG       LYS  46  24.640  10.723   9.285
  382   2HG   LYS  46          2HG       LYS  46  24.372  11.464   7.708
  383   1HD   LYS  46          1HD       LYS  46  22.406  11.748   9.081
  384   2HD   LYS  46          2HD       LYS  46  22.041  10.640   7.759
  385   1HE   LYS  46          1HE       LYS  46  21.101   9.848   9.872
  386   2HE   LYS  46          2HE       LYS  46  22.326   8.739   9.258
  387   1HZ   LYS  46          1HZ       LYS  46  23.594  10.603  10.908
  388   2HZ   LYS  46          2HZ       LYS  46  22.240  10.031  11.743
  389   3HZ   LYS  46          3HZ       LYS  46  23.399   8.942  11.167
  390    H    GLY  47           H        GLY  47  23.154   8.085   4.088
  391   1HA   GLY  47          1HA       GLY  47  24.467   5.612   4.293
  392   2HA   GLY  47          2HA       GLY  47  25.511   6.710   3.404
  393    H    ARG  48           H        ARG  48  25.372   5.566   1.488
  394    HA   ARG  48           HA       ARG  48  23.456   6.311  -0.359
  395   1HB   ARG  48          1HB       ARG  48  25.172   3.821  -0.353
  396   2HB   ARG  48          2HB       ARG  48  24.305   4.440  -1.750
  397   1HG   ARG  48          1HG       ARG  48  25.636   6.476  -1.695
  398   2HG   ARG  48          2HG       ARG  48  26.490   5.881  -0.271
  399   1HD   ARG  48          1HD       ARG  48  27.342   3.993  -1.556
  400   2HD   ARG  48          2HD       ARG  48  26.461   4.551  -2.979
  401    HE   ARG  48           HE       ARG  48  28.122   6.623  -2.110
  402   1HH1  ARG  48          1HH1      ARG  48  28.381   3.426  -3.472
  403   2HH1  ARG  48          2HH1      ARG  48  29.884   3.749  -4.272
  404   1HH2  ARG  48          1HH2      ARG  48  30.099   7.057  -3.160
  405   2HH2  ARG  48          2HH2      ARG  48  30.859   5.813  -4.095
  406    HA   PRO  49           HA       PRO  49  19.834   3.947   0.537
  407   1HB   PRO  49          1HB       PRO  49  18.834   3.704  -2.009
  408   2HB   PRO  49          2HB       PRO  49  18.685   5.160  -1.022
  409   1HG   PRO  49          1HG       PRO  49  20.652   4.528  -3.187
  410   2HG   PRO  49          2HG       PRO  49  19.778   6.039  -2.874
  411   1HD   PRO  49          1HD       PRO  49  22.344   5.724  -2.160
  412   2HD   PRO  49          2HD       PRO  49  21.210   6.659  -1.164
  413    H    PHE  50           H        PHE  50  18.595   2.099  -1.103
  414    HA   PHE  50           HA       PHE  50  20.301   0.126  -2.179
  415   1HB   PHE  50          1HB       PHE  50  20.970  -0.172   0.168
  416   2HB   PHE  50          2HB       PHE  50  19.289  -0.421   0.622
  417    HD1  PHE  50           HD1      PHE  50  21.264  -1.788  -2.230
  418    HD2  PHE  50           HD2      PHE  50  19.112  -2.598   1.352
  419    HE1  PHE  50           HE1      PHE  50  21.521  -4.202  -2.626
  420    HE2  PHE  50           HE2      PHE  50  19.367  -5.014   0.962
  421    HZ   PHE  50           HZ       PHE  50  20.571  -5.818  -1.030
  422    H    ARG  51           H        ARG  51  19.125  -1.232  -3.413
  423    HA   ARG  51           HA       ARG  51  16.264  -0.867  -3.494
  424   1HB   ARG  51          1HB       ARG  51  17.801  -1.088  -5.481
  425   2HB   ARG  51          2HB       ARG  51  17.896  -2.803  -5.130
  426   1HG   ARG  51          1HG       ARG  51  16.287  -2.520  -6.816
  427   2HG   ARG  51          2HG       ARG  51  15.387  -2.839  -5.329
  428   1HD   ARG  51          1HD       ARG  51  14.280  -1.036  -6.397
  429   2HD   ARG  51          2HD       ARG  51  15.205  -0.342  -5.065
  430    HE   ARG  51           HE       ARG  51  16.783  -0.247  -7.368
  431   1HH1  ARG  51          1HH1      ARG  51  13.873   1.180  -6.088
  432   2HH1  ARG  51          2HH1      ARG  51  14.056   2.658  -6.973
  433   1HH2  ARG  51          1HH2      ARG  51  17.032   1.696  -8.536
  434   2HH2  ARG  51          2HH2      ARG  51  15.849   2.950  -8.365
  435    H    GLY  52           H        GLY  52  17.200  -2.050  -1.125
  436   1HA   GLY  52          1HA       GLY  52  16.722  -3.777   0.320
  437   2HA   GLY  52          2HA       GLY  52  16.970  -4.846  -1.047
  438    H    MET  53           H        MET  53  14.577  -2.335  -0.870
  439    HA   MET  53           HA       MET  53  12.484  -4.326  -1.265
  440   1HB   MET  53          1HB       MET  53  12.554  -4.020   1.144
  441   2HB   MET  53          2HB       MET  53  12.454  -2.276   0.951
  442   1HG   MET  53          1HG       MET  53  10.223  -2.506  -0.017
  443   2HG   MET  53          2HG       MET  53  10.320  -4.255   0.182
  444   1HE   MET  53          1HE       MET  53   8.064  -3.757   0.990
  445   2HE   MET  53          2HE       MET  53   7.780  -3.923   2.722
  446   3HE   MET  53          3HE       MET  53   7.767  -2.326   1.976
  447    H    SER  54           H        SER  54  10.724  -3.597  -2.407
  448    HA   SER  54           HA       SER  54  10.270  -0.811  -2.890
  449   1HB   SER  54          1HB       SER  54  12.228  -1.357  -4.391
  450   2HB   SER  54          2HB       SER  54  11.165  -2.462  -5.262
  451    HG   SER  54           HG       SER  54  11.400   0.181  -5.535
  452    H    GLU  55           H        GLU  55   9.077  -1.545  -5.596
  453    HA   GLU  55           HA       GLU  55   6.470  -2.069  -4.712
  454   1HB   GLU  55          1HB       GLU  55   7.568  -2.499  -7.495
  455   2HB   GLU  55          2HB       GLU  55   5.874  -2.325  -7.063
  456   1HG   GLU  55          1HG       GLU  55   6.388  -0.234  -7.853
  457   2HG   GLU  55          2HG       GLU  55   6.613  -0.028  -6.116
  458    H    GLU  56           H        GLU  56   9.000  -4.200  -5.867
  459    HA   GLU  56           HA       GLU  56   7.532  -6.497  -6.373
  460   1HB   GLU  56          1HB       GLU  56   9.630  -7.728  -5.950
  461   2HB   GLU  56          2HB       GLU  56   9.866  -6.320  -6.976
  462   1HG   GLU  56          1HG       GLU  56  10.721  -5.067  -5.065
  463   2HG   GLU  56          2HG       GLU  56  10.481  -6.475  -4.033
  464    H    GLU  57           H        GLU  57   9.046  -5.518  -3.288
  465    HA   GLU  57           HA       GLU  57   8.025  -7.797  -1.903
  466   1HB   GLU  57          1HB       GLU  57  10.065  -6.775  -1.127
  467   2HB   GLU  57          2HB       GLU  57   9.249  -5.238  -0.877
  468   1HG   GLU  57          1HG       GLU  57   8.005  -6.085   0.946
  469   2HG   GLU  57          2HG       GLU  57   8.482  -7.747   0.590
  470    H    VAL  58           H        VAL  58   7.100  -4.357  -1.964
  471    HA   VAL  58           HA       VAL  58   5.097  -4.426  -0.053
  472    HB   VAL  58           HB       VAL  58   5.068  -2.811  -2.609
  473   1HG1  VAL  58          1HG1      VAL  58   3.004  -3.099  -0.892
  474   2HG1  VAL  58          2HG1      VAL  58   3.860  -1.752  -0.140
  475   3HG1  VAL  58          3HG1      VAL  58   3.319  -1.630  -1.815
  476   1HG2  VAL  58          1HG2      VAL  58   7.061  -2.725  -0.867
  477   2HG2  VAL  58          2HG2      VAL  58   6.436  -1.266  -1.634
  478   3HG2  VAL  58          3HG2      VAL  58   5.931  -1.688   0.002
  479    H    PHE  59           H        PHE  59   4.870  -5.139  -3.519
  480    HA   PHE  59           HA       PHE  59   2.111  -5.635  -3.619
  481   1HB   PHE  59          1HB       PHE  59   3.400  -5.344  -5.654
  482   2HB   PHE  59          2HB       PHE  59   4.373  -6.763  -5.286
  483    HD1  PHE  59           HD1      PHE  59   0.688  -6.137  -5.311
  484    HD2  PHE  59           HD2      PHE  59   3.955  -8.416  -6.813
  485    HE1  PHE  59           HE1      PHE  59  -0.880  -7.543  -6.583
  486    HE2  PHE  59           HE2      PHE  59   2.393  -9.823  -8.088
  487    HZ   PHE  59           HZ       PHE  59  -0.028  -9.387  -7.975
  488    H    THR  60           H        THR  60   4.833  -7.627  -2.705
  489    HA   THR  60           HA       THR  60   3.508 -10.117  -2.670
  490    HB   THR  60           HB       THR  60   5.972  -9.152  -1.219
  491    HG1  THR  60           HG1      THR  60   5.434 -10.151  -3.724
  492   1HG2  THR  60          1HG2      THR  60   4.479 -11.424  -0.592
  493   2HG2  THR  60          2HG2      THR  60   5.820 -12.012  -1.575
  494   3HG2  THR  60          3HG2      THR  60   6.141 -11.076  -0.113
  495    H    GLU  61           H        GLU  61   4.452  -8.040   0.081
  496    HA   GLU  61           HA       GLU  61   3.174  -9.484   2.072
  497   1HB   GLU  61          1HB       GLU  61   3.696  -6.511   1.946
  498   2HB   GLU  61          2HB       GLU  61   3.282  -7.403   3.404
  499   1HG   GLU  61          1HG       GLU  61   5.751  -7.791   1.726
  500   2HG   GLU  61          2HG       GLU  61   5.665  -6.970   3.284
  501    H    VAL  62           H        VAL  62   1.937  -6.789   0.111
  502    HA   VAL  62           HA       VAL  62  -0.557  -6.583   1.419
  503    HB   VAL  62           HB       VAL  62   0.141  -5.875  -1.440
  504   1HG1  VAL  62          1HG1      VAL  62  -2.312  -5.498   0.208
  505   2HG1  VAL  62          2HG1      VAL  62  -1.848  -4.226  -0.924
  506   3HG1  VAL  62          3HG1      VAL  62  -2.150  -5.862  -1.510
  507   1HG2  VAL  62          1HG2      VAL  62   0.733  -4.636   1.115
  508   2HG2  VAL  62          2HG2      VAL  62   1.363  -4.268  -0.490
  509   3HG2  VAL  62          3HG2      VAL  62  -0.158  -3.555   0.045
  510    H    ALA  63           H        ALA  63   0.521  -8.457  -1.391
  511    HA   ALA  63           HA       ALA  63  -1.982  -9.510  -2.127
  512   1HB   ALA  63          1HB       ALA  63  -0.666 -11.291  -3.249
  513   2HB   ALA  63          2HB       ALA  63   0.786 -10.661  -2.470
  514   3HB   ALA  63          3HB       ALA  63  -0.098  -9.664  -3.625
  515    H    ASN  64           H        ASN  64   0.475 -10.596   0.149
  516    HA   ASN  64           HA       ASN  64  -0.643 -13.082   0.812
  517   1HB   ASN  64          1HB       ASN  64   1.174 -11.190   2.300
  518   2HB   ASN  64          2HB       ASN  64   0.675 -12.738   2.983
  519   2HD2  ASN  64          2HD2      ASN  64   3.105 -11.269   1.445
  520   1HD2  ASN  64          1HD2      ASN  64   3.795 -12.608   0.599
  521    H    LEU  65           H        LEU  65  -1.123  -9.857   2.176
  522    HA   LEU  65           HA       LEU  65  -2.837 -10.631   4.290
  523   1HB   LEU  65          1HB       LEU  65  -1.966  -8.158   2.984
  524   2HB   LEU  65          2HB       LEU  65  -3.580  -8.080   3.652
  525    HG   LEU  65           HG       LEU  65  -1.126  -8.850   5.219
  526   1HD1  LEU  65          1HD1      LEU  65  -1.987  -6.328   4.292
  527   2HD1  LEU  65          2HD1      LEU  65  -2.319  -6.395   6.025
  528   3HD1  LEU  65          3HD1      LEU  65  -0.685  -6.688   5.426
  529   1HD2  LEU  65          1HD2      LEU  65  -4.026  -8.497   5.883
  530   2HD2  LEU  65          2HD2      LEU  65  -2.929  -9.805   6.335
  531   3HD2  LEU  65          3HD2      LEU  65  -2.782  -8.225   7.107
  532    H    PHE  66           H        PHE  66  -3.582  -8.906   1.304
  533    HA   PHE  66           HA       PHE  66  -6.385  -9.363   1.487
  534   1HB   PHE  66          1HB       PHE  66  -4.673  -8.380  -0.802
  535   2HB   PHE  66          2HB       PHE  66  -6.430  -8.359  -0.792
  536    HD1  PHE  66           HD1      PHE  66  -5.097  -7.630   2.442
  537    HD2  PHE  66           HD2      PHE  66  -5.931  -5.922  -1.372
  538    HE1  PHE  66           HE1      PHE  66  -5.043  -5.380   3.438
  539    HE2  PHE  66           HE2      PHE  66  -5.885  -3.673  -0.376
  540    HZ   PHE  66           HZ       PHE  66  -5.438  -3.400   2.030
  541    H    ARG  67           H        ARG  67  -4.963 -11.859   1.537
  542    HA   ARG  67           HA       ARG  67  -4.883 -13.176  -0.927
  543   1HB   ARG  67          1HB       ARG  67  -3.886 -14.130   1.085
  544   2HB   ARG  67          2HB       ARG  67  -5.473 -14.288   1.825
  545   1HG   ARG  67          1HG       ARG  67  -6.119 -15.944   0.198
  546   2HG   ARG  67          2HG       ARG  67  -4.600 -15.721  -0.675
  547   1HD   ARG  67          1HD       ARG  67  -4.845 -16.698   2.169
  548   2HD   ARG  67          2HD       ARG  67  -4.594 -17.730   0.762
  549    HE   ARG  67           HE       ARG  67  -2.584 -15.779   0.811
  550   1HH1  ARG  67          1HH1      ARG  67  -3.619 -18.576   2.619
  551   2HH1  ARG  67          2HH1      ARG  67  -2.024 -18.966   3.169
  552   1HH2  ARG  67          1HH2      ARG  67  -0.484 -16.290   1.531
  553   2HH2  ARG  67          2HH2      ARG  67  -0.243 -17.670   2.550
  554    H    GLY  68           H        GLY  68  -6.422 -13.969  -2.246
  555   1HA   GLY  68          1HA       GLY  68  -9.064 -14.618  -1.274
  556   2HA   GLY  68          2HA       GLY  68  -8.503 -14.737  -2.937
  557    H    GLN  69           H        GLN  69  -8.205 -11.845  -0.999
  558    HA   GLN  69           HA       GLN  69 -10.562 -10.567  -2.033
  559   1HB   GLN  69          1HB       GLN  69  -8.235  -9.226  -0.658
  560   2HB   GLN  69          2HB       GLN  69  -9.910  -8.696  -0.711
  561   1HG   GLN  69          1HG       GLN  69  -8.941 -11.178   0.688
  562   2HG   GLN  69          2HG       GLN  69  -9.225  -9.626   1.472
  563   2HE2  GLN  69          2HE2      GLN  69 -11.014  -9.694   2.604
  564   1HE2  GLN  69          1HE2      GLN  69 -12.500 -10.436   2.129
  565    H    GLU  70           H        GLU  70  -9.197 -11.422  -4.197
  566    HA   GLU  70           HA       GLU  70  -7.255  -9.813  -5.315
  567   1HB   GLU  70          1HB       GLU  70  -9.422 -11.425  -6.613
  568   2HB   GLU  70          2HB       GLU  70  -8.122 -10.646  -7.509
  569   1HG   GLU  70          1HG       GLU  70  -7.771 -12.689  -5.334
  570   2HG   GLU  70          2HG       GLU  70  -7.652 -12.984  -7.059
  571    H    ASP  71           H        ASP  71 -10.495  -8.964  -4.686
  572    HA   ASP  71           HA       ASP  71 -11.044  -7.241  -6.831
  573   1HB   ASP  71          1HB       ASP  71 -12.792  -7.906  -5.315
  574   2HB   ASP  71          2HB       ASP  71 -11.969  -7.131  -3.969
  575    H    LEU  72           H        LEU  72  -9.624  -6.567  -3.651
  576    HA   LEU  72           HA       LEU  72  -9.129  -3.821  -4.206
  577   1HB   LEU  72          1HB       LEU  72  -7.881  -5.633  -2.138
  578   2HB   LEU  72          2HB       LEU  72  -7.753  -3.883  -2.167
  579    HG   LEU  72           HG       LEU  72 -10.300  -5.461  -1.785
  580   1HD1  LEU  72          1HD1      LEU  72  -8.707  -5.494   0.125
  581   2HD1  LEU  72          2HD1      LEU  72  -8.804  -3.734   0.179
  582   3HD1  LEU  72          3HD1      LEU  72 -10.243  -4.705   0.486
  583   1HD2  LEU  72          1HD2      LEU  72 -10.031  -2.919  -2.831
  584   2HD2  LEU  72          2HD2      LEU  72 -11.477  -3.585  -2.072
  585   3HD2  LEU  72          3HD2      LEU  72 -10.343  -2.627  -1.119
  586    H    LEU  73           H        LEU  73  -7.313  -6.794  -4.608
  587    HA   LEU  73           HA       LEU  73  -4.770  -5.794  -5.042
  588   1HB   LEU  73          1HB       LEU  73  -6.308  -8.214  -5.479
  589   2HB   LEU  73          2HB       LEU  73  -5.115  -7.961  -6.707
  590    HG   LEU  73           HG       LEU  73  -4.177  -9.365  -4.988
  591   1HD1  LEU  73          1HD1      LEU  73  -2.919  -7.228  -6.002
  592   2HD1  LEU  73          2HD1      LEU  73  -2.848  -6.822  -4.286
  593   3HD1  LEU  73          3HD1      LEU  73  -2.163  -8.342  -4.862
  594   1HD2  LEU  73          1HD2      LEU  73  -5.801  -8.310  -3.268
  595   2HD2  LEU  73          2HD2      LEU  73  -4.229  -8.907  -2.730
  596   3HD2  LEU  73          3HD2      LEU  73  -4.478  -7.178  -2.982
  597    H    SER  74           H        SER  74  -7.557  -6.160  -7.117
  598    HA   SER  74           HA       SER  74  -6.450  -5.697  -9.614
  599   1HB   SER  74          1HB       SER  74  -9.141  -4.901  -8.484
  600   2HB   SER  74          2HB       SER  74  -8.736  -4.840 -10.202
  601    HG   SER  74           HG       SER  74  -8.954  -6.935 -10.318
  602    H    GLU  75           H        GLU  75  -7.460  -3.456  -7.105
  603    HA   GLU  75           HA       GLU  75  -6.957  -1.104  -8.674
  604   1HB   GLU  75          1HB       GLU  75  -7.330  -1.334  -5.685
  605   2HB   GLU  75          2HB       GLU  75  -7.534   0.106  -6.670
  606   1HG   GLU  75          1HG       GLU  75  -9.428  -0.946  -7.811
  607   2HG   GLU  75          2HG       GLU  75  -9.230  -2.373  -6.799
  608    H    PHE  76           H        PHE  76  -5.323  -2.760  -5.996
  609    HA   PHE  76           HA       PHE  76  -3.234  -0.968  -5.573
  610   1HB   PHE  76          1HB       PHE  76  -3.826  -2.947  -4.143
  611   2HB   PHE  76          2HB       PHE  76  -3.070  -3.979  -5.348
  612    HD1  PHE  76           HD1      PHE  76  -1.970  -0.709  -3.936
  613    HD2  PHE  76           HD2      PHE  76  -1.191  -4.874  -4.353
  614    HE1  PHE  76           HE1      PHE  76   0.196  -0.413  -2.811
  615    HE2  PHE  76           HE2      PHE  76   0.980  -4.587  -3.228
  616    HZ   PHE  76           HZ       PHE  76   1.673  -2.348  -2.451
  617    H    GLY  77           H        GLY  77  -3.455  -3.703  -7.801
  618   1HA   GLY  77          1HA       GLY  77  -2.219  -4.302  -9.626
  619   2HA   GLY  77          2HA       GLY  77  -0.830  -3.658  -8.764
  620    H    GLN  78           H        GLN  78  -3.691  -1.882  -9.864
  621    HA   GLN  78           HA       GLN  78  -2.722  -0.869 -12.251
  622   1HB   GLN  78          1HB       GLN  78  -4.533   0.476 -10.239
  623   2HB   GLN  78          2HB       GLN  78  -4.307   1.011 -11.899
  624   1HG   GLN  78          1HG       GLN  78  -5.213  -1.094 -12.715
  625   2HG   GLN  78          2HG       GLN  78  -5.415  -1.659 -11.058
  626   2HE2  GLN  78          2HE2      GLN  78  -6.028   1.575 -11.042
  627   1HE2  GLN  78          1HE2      GLN  78  -7.741   1.540 -11.243
  628    H    PHE  79           H        PHE  79  -2.373   0.488  -8.982
  629    HA   PHE  79           HA       PHE  79  -0.915   2.774  -9.784
  630   1HB   PHE  79          1HB       PHE  79  -1.122   1.344  -7.132
  631   2HB   PHE  79          2HB       PHE  79  -0.196   2.825  -7.347
  632    HD1  PHE  79           HD1      PHE  79  -3.566   1.756  -8.573
  633    HD2  PHE  79           HD2      PHE  79  -1.286   4.555  -6.317
  634    HE1  PHE  79           HE1      PHE  79  -5.596   3.088  -8.181
  635    HE2  PHE  79           HE2      PHE  79  -3.312   5.891  -5.922
  636    HZ   PHE  79           HZ       PHE  79  -5.471   5.159  -6.854
  637    H    LEU  80           H        LEU  80   0.064  -0.438  -8.676
  638    HA   LEU  80           HA       LEU  80   2.838   0.032  -8.584
  639   1HB   LEU  80          1HB       LEU  80   1.385  -2.550  -9.167
  640   2HB   LEU  80          2HB       LEU  80   3.063  -2.408  -8.678
  641    HG   LEU  80           HG       LEU  80   0.691  -1.619  -6.983
  642   1HD1  LEU  80          1HD1      LEU  80   1.910  -4.162  -7.485
  643   2HD1  LEU  80          2HD1      LEU  80   2.175  -3.690  -5.808
  644   3HD1  LEU  80          3HD1      LEU  80   0.536  -3.766  -6.453
  645   1HD2  LEU  80          1HD2      LEU  80   3.462  -0.945  -6.823
  646   2HD2  LEU  80          2HD2      LEU  80   2.147  -0.501  -5.735
  647   3HD2  LEU  80          3HD2      LEU  80   3.042  -1.998  -5.471
  648    HA   PRO  81           HA       PRO  81   3.734   0.343 -12.926
  649   1HB   PRO  81          1HB       PRO  81   6.423  -0.049 -12.811
  650   2HB   PRO  81          2HB       PRO  81   5.647   1.469 -12.346
  651   1HG   PRO  81          1HG       PRO  81   6.620  -0.772 -10.618
  652   2HG   PRO  81          2HG       PRO  81   6.773   0.979 -10.376
  653   1HD   PRO  81          1HD       PRO  81   4.910  -0.515  -9.096
  654   2HD   PRO  81          2HD       PRO  81   4.632   1.179  -9.547
  655    H    GLU  82           H        GLU  82   3.092  -1.275 -14.204
  656    HA   GLU  82           HA       GLU  82   4.731  -3.408 -14.924
  657   1HB   GLU  82          1HB       GLU  82   4.212  -4.333 -12.713
  658   2HB   GLU  82          2HB       GLU  82   2.492  -4.218 -13.058
  659   1HG   GLU  82          1HG       GLU  82   2.748  -5.831 -14.876
  660   2HG   GLU  82          2HG       GLU  82   4.472  -5.948 -14.525
  661    H    ALA  83           H        ALA  83   1.255  -2.824 -14.384
  662    HA   ALA  83           HA       ALA  83   0.459  -4.034 -16.831
  663   1HB   ALA  83          1HB       ALA  83  -0.908  -3.617 -14.673
  664   2HB   ALA  83          2HB       ALA  83  -1.224  -2.031 -15.379
  665   3HB   ALA  83          3HB       ALA  83  -1.714  -3.492 -16.238
  666    H    LYS  84           H        LYS  84   0.199  -3.200 -18.819
  667    HA   LYS  84           HA       LYS  84  -0.290  -0.499 -19.413
  668   1HB   LYS  84          1HB       LYS  84   1.880   0.101 -20.453
  669   2HB   LYS  84          2HB       LYS  84   1.977  -0.074 -18.708
  670   1HG   LYS  84          1HG       LYS  84   2.955  -2.296 -18.983
  671   2HG   LYS  84          2HG       LYS  84   2.856  -2.118 -20.737
  672   1HD   LYS  84          1HD       LYS  84   4.366  -0.216 -20.653
  673   2HD   LYS  84          2HD       LYS  84   4.424  -0.315 -18.893
  674   1HE   LYS  84          1HE       LYS  84   5.368  -2.442 -20.811
  675   2HE   LYS  84          2HE       LYS  84   6.404  -1.321 -19.929
  676   1HZ   LYS  84          1HZ       LYS  84   4.552  -2.889 -18.326
  677   2HZ   LYS  84          2HZ       LYS  84   5.813  -3.750 -19.052
  678   3HZ   LYS  84          3HZ       LYS  84   6.158  -2.459 -18.016
  679    H    ARG  85           H        ARG  85  -1.459  -2.798 -20.247
  680    HA   ARG  85           HA       ARG  85  -0.524  -3.904 -22.644
  681   1HB   ARG  85          1HB       ARG  85  -2.299  -4.958 -21.373
  682   2HB   ARG  85          2HB       ARG  85  -3.349  -3.570 -21.622
  683   1HG   ARG  85          1HG       ARG  85  -3.426  -4.034 -24.008
  684   2HG   ARG  85          2HG       ARG  85  -2.335  -5.403 -23.785
  685   1HD   ARG  85          1HD       ARG  85  -4.686  -6.104 -23.960
  686   2HD   ARG  85          2HD       ARG  85  -3.976  -6.527 -22.402
  687    HE   ARG  85           HE       ARG  85  -5.234  -4.045 -22.143
  688   1HH1  ARG  85          1HH1      ARG  85  -6.067  -7.377 -22.725
  689   2HH1  ARG  85          2HH1      ARG  85  -7.624  -7.253 -21.975
  690   1HH2  ARG  85          1HH2      ARG  85  -7.282  -3.873 -21.151
  691   2HH2  ARG  85          2HH2      ARG  85  -8.315  -5.262 -21.083
  692    H1   ASN   1           H1       ASN   1   4.136   5.846  -5.853
  693    H2   ASN   1           H2       ASN   1   3.954   5.639  -7.523
  694    H3   ASN   1           H3       ASN   1   3.541   7.112  -6.804
  695    HA   ASN   1           HA       ASN   1   1.472   6.383  -6.705
  696   1HB   ASN   1          1HB       ASN   1   0.912   4.031  -7.244
  697   2HB   ASN   1          2HB       ASN   1   2.008   4.740  -8.425
  698   2HD2  ASN   1          2HD2      ASN   1   1.396   2.037  -6.730
  699   1HD2  ASN   1          1HD2      ASN   1   2.979   1.350  -6.667
  700    H    ILE   2           H        ILE   2   3.689   4.210  -4.996
  701    HA   ILE   2           HA       ILE   2   1.899   3.407  -2.980
  702    HB   ILE   2           HB       ILE   2   4.912   3.588  -2.908
  703   1HG1  ILE   2          1HG1      ILE   2   4.049   2.079  -4.635
  704   2HG1  ILE   2          2HG1      ILE   2   4.818   1.167  -3.340
  705   1HG2  ILE   2          1HG2      ILE   2   2.944   2.442  -0.959
  706   2HG2  ILE   2          2HG2      ILE   2   4.590   1.821  -1.072
  707   3HG2  ILE   2          3HG2      ILE   2   4.312   3.513  -0.655
  708   1HD1  ILE   2          1HD1      ILE   2   2.417   0.949  -2.403
  709   2HD1  ILE   2          2HD1      ILE   2   1.924   1.384  -4.039
  710   3HD1  ILE   2          3HD1      ILE   2   2.910  -0.053  -3.767
  711    H    GLN   3           H        GLN   3   4.146   6.125  -3.185
  712    HA   GLN   3           HA       GLN   3   4.022   7.042  -0.573
  713   1HB   GLN   3          1HB       GLN   3   5.611   7.994  -2.081
  714   2HB   GLN   3          2HB       GLN   3   4.350   8.520  -3.184
  715   1HG   GLN   3          1HG       GLN   3   4.525   9.594  -0.392
  716   2HG   GLN   3          2HG       GLN   3   5.490  10.270  -1.704
  717   2HE2  GLN   3          2HE2      GLN   3   2.718  10.654  -0.024
  718   1HE2  GLN   3          1HE2      GLN   3   1.768  11.496  -1.197
  719    H    MET   4           H        MET   4   1.823   7.628  -3.270
  720    HA   MET   4           HA       MET   4   0.207   9.540  -1.976
  721   1HB   MET   4          1HB       MET   4   0.238   9.181  -4.419
  722   2HB   MET   4          2HB       MET   4  -0.551   7.626  -4.187
  723   1HG   MET   4          1HG       MET   4  -2.499   8.747  -3.243
  724   2HG   MET   4          2HG       MET   4  -1.707  10.306  -3.454
  725   1HE   MET   4          1HE       MET   4  -0.231   9.920  -6.194
  726   2HE   MET   4          2HE       MET   4  -1.411  10.475  -7.381
  727   3HE   MET   4          3HE       MET   4  -1.170  11.380  -5.887
  728    H    LEU   5           H        LEU   5  -0.127   6.005  -2.292
  729    HA   LEU   5           HA       LEU   5  -2.598   5.845  -0.931
  730   1HB   LEU   5          1HB       LEU   5  -0.443   3.761  -1.305
  731   2HB   LEU   5          2HB       LEU   5  -2.035   3.433  -0.645
  732    HG   LEU   5           HG       LEU   5  -1.400   4.355  -3.449
  733   1HD1  LEU   5          1HD1      LEU   5  -1.048   1.927  -2.755
  734   2HD1  LEU   5          2HD1      LEU   5  -2.803   1.844  -2.598
  735   3HD1  LEU   5          3HD1      LEU   5  -2.075   2.229  -4.156
  736   1HD2  LEU   5          1HD2      LEU   5  -4.057   3.953  -2.082
  737   2HD2  LEU   5          2HD2      LEU   5  -3.429   5.444  -2.784
  738   3HD2  LEU   5          3HD2      LEU   5  -3.849   4.086  -3.828
  739    H    LEU   6           H        LEU   6   0.727   5.285   0.198
  740    HA   LEU   6           HA       LEU   6   0.118   4.681   2.853
  741   1HB   LEU   6          1HB       LEU   6   2.325   4.338   1.815
  742   2HB   LEU   6          2HB       LEU   6   2.564   6.073   1.756
  743    HG   LEU   6           HG       LEU   6   2.622   6.188   4.184
  744   1HD1  LEU   6          1HD1      LEU   6   1.036   4.366   4.643
  745   2HD1  LEU   6          2HD1      LEU   6   2.255   3.195   4.139
  746   3HD1  LEU   6          3HD1      LEU   6   2.530   4.198   5.564
  747   1HD2  LEU   6          1HD2      LEU   6   4.481   4.699   2.557
  748   2HD2  LEU   6          2HD2      LEU   6   4.795   5.845   3.862
  749   3HD2  LEU   6          3HD2      LEU   6   4.517   4.143   4.231
  750    H    GLU   7           H        GLU   7   0.666   7.764   1.240
  751    HA   GLU   7           HA       GLU   7   0.549   9.397   3.550
  752   1HB   GLU   7          1HB       GLU   7   1.519  10.177   1.440
  753   2HB   GLU   7          2HB       GLU   7  -0.050  10.053   0.658
  754   1HG   GLU   7          1HG       GLU   7  -0.928  11.790   2.139
  755   2HG   GLU   7          2HG       GLU   7   0.649  11.916   2.917
  756    H    ALA   8           H        ALA   8  -1.852   8.181   1.298
  757    HA   ALA   8           HA       ALA   8  -4.066   9.711   2.064
  758   1HB   ALA   8          1HB       ALA   8  -3.635   7.132   0.681
  759   2HB   ALA   8          2HB       ALA   8  -4.553   8.553   0.179
  760   3HB   ALA   8          3HB       ALA   8  -5.245   7.421   1.341
  761    H    ALA   9           H        ALA   9  -2.825   6.648   3.348
  762    HA   ALA   9           HA       ALA   9  -4.901   6.041   5.100
  763   1HB   ALA   9          1HB       ALA   9  -2.773   4.699   4.442
  764   2HB   ALA   9          2HB       ALA   9  -2.061   5.483   5.850
  765   3HB   ALA   9          3HB       ALA   9  -3.490   4.468   6.036
  766    H    ASP  10           H        ASP  10  -1.971   7.974   5.662
  767    HA   ASP  10           HA       ASP  10  -2.375   8.533   8.366
  768   1HB   ASP  10          1HB       ASP  10  -0.279   9.024   7.157
  769   2HB   ASP  10          2HB       ASP  10  -1.096  10.306   6.269
  770    H    TYR  11           H        TYR  11  -3.618  10.087   5.473
  771    HA   TYR  11           HA       TYR  11  -4.766  12.357   6.634
  772   1HB   TYR  11          1HB       TYR  11  -4.507  12.196   4.246
  773   2HB   TYR  11          2HB       TYR  11  -5.543  10.774   4.181
  774    HD1  TYR  11           HD1      TYR  11  -5.704  14.329   5.351
  775    HD2  TYR  11           HD2      TYR  11  -7.707  11.075   3.481
  776    HE1  TYR  11           HE1      TYR  11  -7.662  15.764   4.963
  777    HE2  TYR  11           HE2      TYR  11  -9.667  12.502   3.082
  778    HH   TYR  11           HH       TYR  11  -9.629  15.769   3.234
  779    H    LEU  12           H        LEU  12  -6.247   9.202   5.884
  780    HA   LEU  12           HA       LEU  12  -8.795   9.816   6.892
  781   1HB   LEU  12          1HB       LEU  12  -7.385   7.185   6.504
  782   2HB   LEU  12          2HB       LEU  12  -9.058   7.308   7.014
  783    HG   LEU  12           HG       LEU  12  -7.960   8.383   4.413
  784   1HD1  LEU  12          1HD1      LEU  12  -9.235   5.803   5.179
  785   2HD1  LEU  12          2HD1      LEU  12  -9.616   6.504   3.606
  786   3HD1  LEU  12          3HD1      LEU  12  -7.943   6.126   4.022
  787   1HD2  LEU  12          1HD2      LEU  12  -9.862   9.659   5.254
  788   2HD2  LEU  12          2HD2      LEU  12 -10.312   8.714   3.836
  789   3HD2  LEU  12          3HD2      LEU  12 -10.787   8.171   5.445
  790    H    GLU  13           H        GLU  13  -6.086   8.073   8.428
  791    HA   GLU  13           HA       GLU  13  -7.404   7.638  10.883
  792   1HB   GLU  13          1HB       GLU  13  -5.197   7.112  11.783
  793   2HB   GLU  13          2HB       GLU  13  -5.420   6.364  10.208
  794   1HG   GLU  13          1HG       GLU  13  -4.087   8.114   9.172
  795   2HG   GLU  13          2HG       GLU  13  -3.886   8.899  10.738

  No H/Q in entry =         795
  Start of MODEL    5
    1    H1   GLU   1           H1       GLU   1 -13.188  24.164  -5.819
    2    H2   GLU   1           H2       GLU   1 -14.311  23.801  -7.030
    3    H3   GLU   1           H3       GLU   1 -14.348  22.960  -5.562
    4    HA   GLU   1           HA       GLU   1 -12.961  21.445  -6.318
    5   1HB   GLU   1          1HB       GLU   1 -13.189  23.179  -8.773
    6   2HB   GLU   1          2HB       GLU   1 -12.264  21.685  -8.779
    7   1HG   GLU   1          1HG       GLU   1 -14.457  21.301  -9.686
    8   2HG   GLU   1          2HG       GLU   1 -14.285  20.443  -8.158
    9    H    SER   2           H        SER   2 -10.892  21.003  -5.888
   10    HA   SER   2           HA       SER   2  -8.666  22.430  -6.812
   11   1HB   SER   2          1HB       SER   2  -7.918  23.474  -4.673
   12   2HB   SER   2          2HB       SER   2  -9.373  24.221  -5.332
   13    HG   SER   2           HG       SER   2  -9.151  23.429  -2.942
   14    H    ASP   3           H        ASP   3  -9.115  19.801  -6.822
   15    HA   ASP   3           HA       ASP   3  -6.938  18.779  -5.255
   16   1HB   ASP   3          1HB       ASP   3  -8.807  18.697  -3.620
   17   2HB   ASP   3          2HB       ASP   3  -9.702  17.666  -4.734
   18    H    SER   4           H        SER   4  -5.971  17.123  -6.282
   19    HA   SER   4           HA       SER   4  -6.759  16.372  -8.858
   20   1HB   SER   4          1HB       SER   4  -4.882  14.738  -7.252
   21   2HB   SER   4          2HB       SER   4  -4.803  15.183  -8.941
   22    HG   SER   4           HG       SER   4  -4.329  17.322  -8.286
   23    H    VAL   5           H        VAL   5  -7.639  14.565  -9.665
   24    HA   VAL   5           HA       VAL   5  -9.539  13.160  -8.138
   25    HB   VAL   5           HB       VAL   5  -8.321  12.444 -10.809
   26   1HG1  VAL   5          1HG1      VAL   5  -9.508  10.598  -9.471
   27   2HG1  VAL   5          2HG1      VAL   5 -10.986  11.503  -9.801
   28   3HG1  VAL   5          3HG1      VAL   5 -10.021  10.874 -11.136
   29   1HG2  VAL   5          1HG2      VAL   5 -10.040  14.552 -10.066
   30   2HG2  VAL   5          2HG2      VAL   5  -9.571  14.055 -11.691
   31   3HG2  VAL   5          3HG2      VAL   5 -11.020  13.379 -10.947
   32    H    GLU   6           H        GLU   6  -6.293  12.346  -9.241
   33    HA   GLU   6           HA       GLU   6  -6.186   9.675  -8.487
   34   1HB   GLU   6          1HB       GLU   6  -3.945  11.699  -8.447
   35   2HB   GLU   6          2HB       GLU   6  -3.752   9.952  -8.439
   36   1HG   GLU   6          1HG       GLU   6  -4.793   9.815 -10.637
   37   2HG   GLU   6          2HG       GLU   6  -5.009  11.566 -10.645
   38    H    PHE   7           H        PHE   7  -5.676  12.585  -6.549
   39    HA   PHE   7           HA       PHE   7  -4.582  11.369  -4.276
   40   1HB   PHE   7          1HB       PHE   7  -4.612  13.806  -4.589
   41   2HB   PHE   7          2HB       PHE   7  -6.364  13.814  -4.422
   42    HD1  PHE   7           HD1      PHE   7  -3.819  11.972  -2.421
   43    HD2  PHE   7           HD2      PHE   7  -6.762  15.042  -2.498
   44    HE1  PHE   7           HE1      PHE   7  -3.577  12.260   0.008
   45    HE2  PHE   7           HE2      PHE   7  -6.526  15.336  -0.070
   46    HZ   PHE   7           HZ       PHE   7  -4.931  13.945   1.189
   47    H    ASN   8           H        ASN   8  -7.990  12.297  -4.843
   48    HA   ASN   8           HA       ASN   8  -8.987  10.961  -2.567
   49   1HB   ASN   8          1HB       ASN   8 -10.519  12.486  -3.325
   50   2HB   ASN   8          2HB       ASN   8 -10.101  12.224  -5.014
   51   2HD2  ASN   8          2HD2      ASN   8 -11.530  11.247  -6.181
   52   1HD2  ASN   8          1HD2      ASN   8 -12.765  10.192  -5.616
   53    H    ASN   9           H        ASN   9  -8.289  10.055  -5.823
   54    HA   ASN   9           HA       ASN   9  -9.662   7.655  -6.103
   55   1HB   ASN   9          1HB       ASN   9  -8.346   8.905  -7.858
   56   2HB   ASN   9          2HB       ASN   9  -6.883   8.262  -7.137
   57   2HD2  ASN   9          2HD2      ASN   9  -8.339   7.974  -9.743
   58   1HD2  ASN   9          1HD2      ASN   9  -8.334   6.280 -10.012
   59    H    ALA  10           H        ALA  10  -6.496   8.356  -4.709
   60    HA   ALA  10           HA       ALA  10  -5.875   5.655  -4.031
   61   1HB   ALA  10          1HB       ALA  10  -4.258   7.100  -2.423
   62   2HB   ALA  10          2HB       ALA  10  -3.919   6.778  -4.123
   63   3HB   ALA  10          3HB       ALA  10  -4.653   8.310  -3.645
   64    H    ILE  11           H        ILE  11  -7.167   8.440  -2.262
   65    HA   ILE  11           HA       ILE  11  -7.162   7.465   0.318
   66    HB   ILE  11           HB       ILE  11  -9.382   9.075  -0.948
   67   1HG1  ILE  11          1HG1      ILE  11  -7.206  10.148  -1.262
   68   2HG1  ILE  11          2HG1      ILE  11  -8.191  11.051  -0.122
   69   1HG2  ILE  11          1HG2      ILE  11  -9.329   7.902   1.529
   70   2HG2  ILE  11          2HG2      ILE  11  -8.760   9.542   1.855
   71   3HG2  ILE  11          3HG2      ILE  11 -10.316   9.288   1.062
   72   1HD1  ILE  11          1HD1      ILE  11  -6.802   9.455   1.558
   73   2HD1  ILE  11          2HD1      ILE  11  -5.633   9.680   0.256
   74   3HD1  ILE  11          3HD1      ILE  11  -6.311  11.082   1.083
   75    H    SER  12           H        SER  12  -9.794   7.175  -2.056
   76    HA   SER  12           HA       SER  12 -11.572   5.700  -0.573
   77   1HB   SER  12          1HB       SER  12 -12.495   4.906  -2.715
   78   2HB   SER  12          2HB       SER  12 -12.110   6.626  -2.778
   79    HG   SER  12           HG       SER  12 -10.026   5.033  -3.539
   80    H    TYR  13           H        TYR  13  -8.669   4.556  -2.227
   81    HA   TYR  13           HA       TYR  13  -9.269   1.803  -2.093
   82   1HB   TYR  13          1HB       TYR  13  -7.405   2.783  -3.448
   83   2HB   TYR  13          2HB       TYR  13  -6.526   3.075  -1.952
   84    HD1  TYR  13           HD1      TYR  13  -8.423   0.170  -3.364
   85    HD2  TYR  13           HD2      TYR  13  -4.797   1.584  -1.650
   86    HE1  TYR  13           HE1      TYR  13  -7.499  -2.105  -3.456
   87    HE2  TYR  13           HE2      TYR  13  -3.860  -0.686  -1.741
   88    HH   TYR  13           HH       TYR  13  -4.266  -2.830  -2.184
   89    H    VAL  14           H        VAL  14  -7.464   3.946   0.074
   90    HA   VAL  14           HA       VAL  14  -6.939   1.971   2.049
   91    HB   VAL  14           HB       VAL  14  -7.071   4.964   2.433
   92   1HG1  VAL  14          1HG1      VAL  14  -6.974   3.460   4.462
   93   2HG1  VAL  14          2HG1      VAL  14  -5.373   2.967   3.910
   94   3HG1  VAL  14          3HG1      VAL  14  -5.685   4.654   4.321
   95   1HG2  VAL  14          1HG2      VAL  14  -5.592   4.043   0.523
   96   2HG2  VAL  14          2HG2      VAL  14  -4.881   5.173   1.676
   97   3HG2  VAL  14          3HG2      VAL  14  -4.560   3.446   1.822
   98    H    ASN  15           H        ASN  15  -9.457   4.386   1.613
   99    HA   ASN  15           HA       ASN  15 -10.754   4.104   4.082
  100   1HB   ASN  15          1HB       ASN  15 -11.157   5.992   2.578
  101   2HB   ASN  15          2HB       ASN  15 -11.874   4.917   1.392
  102   2HD2  ASN  15          2HD2      ASN  15 -12.539   7.060   3.774
  103   1HD2  ASN  15          1HD2      ASN  15 -14.139   6.557   4.186
  104    H    LYS  16           H        LYS  16 -11.217   2.459   0.987
  105    HA   LYS  16           HA       LYS  16 -13.469   0.939   1.769
  106   1HB   LYS  16          1HB       LYS  16 -12.831   1.322  -0.588
  107   2HB   LYS  16          2HB       LYS  16 -11.394   0.337  -0.352
  108   1HG   LYS  16          1HG       LYS  16 -12.835  -1.600   0.139
  109   2HG   LYS  16          2HG       LYS  16 -14.252  -0.597  -0.182
  110   1HD   LYS  16          1HD       LYS  16 -12.050  -1.222  -2.151
  111   2HD   LYS  16          2HD       LYS  16 -13.649  -1.966  -2.126
  112   1HE   LYS  16          1HE       LYS  16 -14.679   0.197  -2.550
  113   2HE   LYS  16          2HE       LYS  16 -13.097   0.975  -2.512
  114   1HZ   LYS  16          1HZ       LYS  16 -12.845  -1.031  -4.357
  115   2HZ   LYS  16          2HZ       LYS  16 -14.384  -0.392  -4.656
  116   3HZ   LYS  16          3HZ       LYS  16 -13.030   0.618  -4.687
  117    H    ILE  17           H        ILE  17  -9.993   0.359   1.886
  118    HA   ILE  17           HA       ILE  17 -10.044  -2.341   2.640
  119    HB   ILE  17           HB       ILE  17  -8.039  -0.169   3.253
  120   1HG1  ILE  17          1HG1      ILE  17  -7.971  -2.448   1.262
  121   2HG1  ILE  17          2HG1      ILE  17  -8.370  -0.780   0.867
  122   1HG2  ILE  17          1HG2      ILE  17  -8.246  -2.569   4.601
  123   2HG2  ILE  17          2HG2      ILE  17  -7.026  -2.882   3.367
  124   3HG2  ILE  17          3HG2      ILE  17  -6.813  -1.545   4.496
  125   1HD1  ILE  17          1HD1      ILE  17  -5.823  -1.090   2.258
  126   2HD1  ILE  17          2HD1      ILE  17  -5.899  -1.891   0.689
  127   3HD1  ILE  17          3HD1      ILE  17  -6.228  -0.162   0.814
  128    H    LYS  18           H        LYS  18 -10.209   0.633   4.520
  129    HA   LYS  18           HA       LYS  18 -10.098  -0.523   7.092
  130   1HB   LYS  18          1HB       LYS  18  -9.756   1.878   6.651
  131   2HB   LYS  18          2HB       LYS  18 -11.439   2.035   6.184
  132   1HG   LYS  18          1HG       LYS  18 -12.072   1.319   8.487
  133   2HG   LYS  18          2HG       LYS  18 -10.363   1.385   8.919
  134   1HD   LYS  18          1HD       LYS  18 -11.963   3.704   7.833
  135   2HD   LYS  18          2HD       LYS  18 -11.611   3.434   9.541
  136   1HE   LYS  18          1HE       LYS  18  -9.562   3.845   7.365
  137   2HE   LYS  18          2HE       LYS  18 -10.077   5.061   8.534
  138   1HZ   LYS  18          1HZ       LYS  18  -8.742   2.490   9.191
  139   2HZ   LYS  18          2HZ       LYS  18  -8.007   4.014   9.200
  140   3HZ   LYS  18          3HZ       LYS  18  -9.232   3.661  10.311
  141    H    THR  19           H        THR  19 -12.856   0.697   5.242
  142    HA   THR  19           HA       THR  19 -14.859  -0.217   6.982
  143    HB   THR  19           HB       THR  19 -15.182   1.522   5.212
  144    HG1  THR  19           HG1      THR  19 -17.320   0.859   4.781
  145   1HG2  THR  19          1HG2      THR  19 -14.977  -0.888   3.439
  146   2HG2  THR  19          2HG2      THR  19 -15.904   0.530   2.950
  147   3HG2  THR  19          3HG2      THR  19 -14.178   0.676   3.282
  148    H    ARG  20           H        ARG  20 -13.153  -1.830   4.408
  149    HA   ARG  20           HA       ARG  20 -14.987  -3.952   4.031
  150   1HB   ARG  20          1HB       ARG  20 -13.352  -3.508   2.331
  151   2HB   ARG  20          2HB       ARG  20 -12.028  -3.728   3.473
  152   1HG   ARG  20          1HG       ARG  20 -12.301  -5.638   1.958
  153   2HG   ARG  20          2HG       ARG  20 -12.518  -6.085   3.651
  154   1HD   ARG  20          1HD       ARG  20 -14.949  -5.961   3.358
  155   2HD   ARG  20          2HD       ARG  20 -14.720  -5.553   1.660
  156    HE   ARG  20           HE       ARG  20 -13.384  -7.955   2.168
  157   1HH1  ARG  20          1HH1      ARG  20 -16.639  -6.712   2.073
  158   2HH1  ARG  20          2HH1      ARG  20 -17.342  -8.229   1.620
  159   1HH2  ARG  20          1HH2      ARG  20 -14.305  -9.958   1.572
  160   2HH2  ARG  20          2HH2      ARG  20 -16.016 -10.072   1.336
  161    H    PHE  21           H        PHE  21 -11.844  -3.936   5.696
  162    HA   PHE  21           HA       PHE  21 -12.566  -6.390   7.066
  163   1HB   PHE  21          1HB       PHE  21  -9.990  -4.821   7.153
  164   2HB   PHE  21          2HB       PHE  21 -10.247  -6.429   7.815
  165    HD1  PHE  21           HD1      PHE  21 -10.039  -4.478   4.693
  166    HD2  PHE  21           HD2      PHE  21 -10.133  -8.352   6.449
  167    HE1  PHE  21           HE1      PHE  21  -9.333  -5.462   2.552
  168    HE2  PHE  21           HE2      PHE  21  -9.417  -9.342   4.319
  169    HZ   PHE  21           HZ       PHE  21  -9.020  -7.897   2.363
  170    H    LEU  22           H        LEU  22 -14.097  -4.134   7.905
  171    HA   LEU  22           HA       LEU  22 -13.176  -2.796  10.147
  172   1HB   LEU  22          1HB       LEU  22 -15.930  -3.846   9.516
  173   2HB   LEU  22          2HB       LEU  22 -15.594  -2.829  10.904
  174    HG   LEU  22           HG       LEU  22 -15.153  -2.027   8.027
  175   1HD1  LEU  22          1HD1      LEU  22 -17.516  -2.063   9.659
  176   2HD1  LEU  22          2HD1      LEU  22 -17.075  -0.404   9.253
  177   3HD1  LEU  22          3HD1      LEU  22 -17.329  -1.589   7.971
  178   1HD2  LEU  22          1HD2      LEU  22 -14.887  -0.516  10.621
  179   2HD2  LEU  22          2HD2      LEU  22 -13.609  -0.885   9.462
  180   3HD2  LEU  22          3HD2      LEU  22 -14.897   0.238   9.026
  181    H    ASP  23           H        ASP  23 -14.404  -6.070   9.849
  182    HA   ASP  23           HA       ASP  23 -14.428  -6.604  12.659
  183   1HB   ASP  23          1HB       ASP  23 -14.503  -8.520  10.325
  184   2HB   ASP  23          2HB       ASP  23 -14.858  -8.923  12.001
  185    H    HIS  24           H        HIS  24 -12.174  -7.178  10.004
  186    HA   HIS  24           HA       HIS  24 -10.280  -8.418  11.848
  187   1HB   HIS  24          1HB       HIS  24 -10.248  -8.264   8.833
  188   2HB   HIS  24          2HB       HIS  24  -9.165  -9.197   9.841
  189    HD1  HIS  24           HD1      HIS  24 -10.697 -10.936  11.518
  190    HD2  HIS  24           HD2      HIS  24 -12.166  -9.831   7.792
  191    HE1  HIS  24           HE1      HIS  24 -12.413 -12.678  10.928
  192    HE2  HIS  24           HE2      HIS  24 -13.321 -11.964   8.689
  193    HA   PRO  25           HA       PRO  25  -8.728  -4.011  11.448
  194   1HB   PRO  25          1HB       PRO  25  -7.505  -4.092  13.890
  195   2HB   PRO  25          2HB       PRO  25  -9.159  -3.542  13.630
  196   1HG   PRO  25          1HG       PRO  25  -8.181  -6.229  14.528
  197   2HG   PRO  25          2HG       PRO  25  -9.535  -5.266  15.152
  198   1HD   PRO  25          1HD       PRO  25  -9.977  -7.307  13.493
  199   2HD   PRO  25          2HD       PRO  25 -10.907  -5.803  13.345
  200    H    GLU  26           H        GLU  26  -7.140  -6.958  12.579
  201    HA   GLU  26           HA       GLU  26  -4.489  -6.227  12.416
  202   1HB   GLU  26          1HB       GLU  26  -3.998  -8.605  12.015
  203   2HB   GLU  26          2HB       GLU  26  -5.202  -8.390  13.279
  204   1HG   GLU  26          1HG       GLU  26  -6.973  -8.942  11.701
  205   2HG   GLU  26          2HG       GLU  26  -5.778  -9.130  10.418
  206    H    ILE  27           H        ILE  27  -6.712  -6.999   9.828
  207    HA   ILE  27           HA       ILE  27  -4.846  -7.330   7.739
  208    HB   ILE  27           HB       ILE  27  -7.583  -6.135   7.385
  209   1HG1  ILE  27          1HG1      ILE  27  -7.654  -8.124   8.921
  210   2HG1  ILE  27          2HG1      ILE  27  -8.567  -8.315   7.434
  211   1HG2  ILE  27          1HG2      ILE  27  -5.557  -7.376   5.669
  212   2HG2  ILE  27          2HG2      ILE  27  -7.204  -7.946   5.397
  213   3HG2  ILE  27          3HG2      ILE  27  -6.834  -6.226   5.274
  214   1HD1  ILE  27          1HD1      ILE  27  -5.786  -9.309   7.453
  215   2HD1  ILE  27          2HD1      ILE  27  -6.991 -10.198   8.387
  216   3HD1  ILE  27          3HD1      ILE  27  -7.224  -9.951   6.656
  217    H    TYR  28           H        TYR  28  -6.757  -4.505   8.740
  218    HA   TYR  28           HA       TYR  28  -5.781  -2.682   6.875
  219   1HB   TYR  28          1HB       TYR  28  -7.749  -2.341   8.358
  220   2HB   TYR  28          2HB       TYR  28  -6.644  -2.086   9.698
  221    HD1  TYR  28           HD1      TYR  28  -7.164  -0.826   6.232
  222    HD2  TYR  28           HD2      TYR  28  -6.216   0.103  10.266
  223    HE1  TYR  28           HE1      TYR  28  -7.062   1.563   5.646
  224    HE2  TYR  28           HE2      TYR  28  -6.118   2.497   9.702
  225    HH   TYR  28           HH       TYR  28  -7.005   4.022   7.975
  226    H    ARG  29           H        ARG  29  -4.667  -3.376  10.166
  227    HA   ARG  29           HA       ARG  29  -2.615  -1.520  10.351
  228   1HB   ARG  29          1HB       ARG  29  -2.892  -4.288  11.514
  229   2HB   ARG  29          2HB       ARG  29  -1.620  -3.172  11.973
  230   1HG   ARG  29          1HG       ARG  29  -4.559  -2.603  12.249
  231   2HG   ARG  29          2HG       ARG  29  -3.533  -3.224  13.541
  232   1HD   ARG  29          1HD       ARG  29  -2.104  -1.212  13.311
  233   2HD   ARG  29          2HD       ARG  29  -3.232  -0.587  12.108
  234    HE   ARG  29           HE       ARG  29  -3.505  -0.396  14.898
  235   1HH1  ARG  29          1HH1      ARG  29  -5.402  -1.087  12.055
  236   2HH1  ARG  29          2HH1      ARG  29  -6.887  -0.538  12.756
  237   1HH2  ARG  29          1HH2      ARG  29  -5.456   0.328  15.827
  238   2HH2  ARG  29          2HH2      ARG  29  -6.917   0.270  14.899
  239    H    SER  30           H        SER  30  -2.423  -4.911   9.303
  240    HA   SER  30           HA       SER  30   0.279  -5.041   8.740
  241   1HB   SER  30          1HB       SER  30  -1.988  -6.438   7.302
  242   2HB   SER  30          2HB       SER  30  -0.289  -6.899   7.205
  243    HG   SER  30           HG       SER  30  -0.495  -7.005   9.627
  244    H    PHE  31           H        PHE  31  -2.342  -4.244   6.443
  245    HA   PHE  31           HA       PHE  31  -0.856  -3.819   4.165
  246   1HB   PHE  31          1HB       PHE  31  -3.258  -3.741   4.078
  247   2HB   PHE  31          2HB       PHE  31  -3.307  -2.356   5.161
  248    HD1  PHE  31           HD1      PHE  31  -1.816  -3.325   1.876
  249    HD2  PHE  31           HD2      PHE  31  -3.644  -0.291   4.238
  250    HE1  PHE  31           HE1      PHE  31  -1.780  -1.803  -0.058
  251    HE2  PHE  31           HE2      PHE  31  -3.615   1.233   2.306
  252    HZ   PHE  31           HZ       PHE  31  -2.681   0.478   0.156
  253    H    LEU  32           H        LEU  32  -1.694  -1.413   6.639
  254    HA   LEU  32           HA       LEU  32  -0.329   0.753   5.533
  255   1HB   LEU  32          1HB       LEU  32  -0.761   0.170   8.462
  256   2HB   LEU  32          2HB       LEU  32  -0.425   1.738   7.757
  257    HG   LEU  32           HG       LEU  32  -2.916   0.102   7.275
  258   1HD1  LEU  32          1HD1      LEU  32  -2.171   2.055   9.305
  259   2HD1  LEU  32          2HD1      LEU  32  -3.654   2.459   8.442
  260   3HD1  LEU  32          3HD1      LEU  32  -3.510   0.907   9.267
  261   1HD2  LEU  32          1HD2      LEU  32  -1.741   2.201   5.778
  262   2HD2  LEU  32          2HD2      LEU  32  -3.300   1.412   5.532
  263   3HD2  LEU  32          3HD2      LEU  32  -3.185   2.834   6.571
  264    H    GLU  33           H        GLU  33   0.748  -1.716   7.830
  265    HA   GLU  33           HA       GLU  33   3.330  -0.683   8.281
  266   1HB   GLU  33          1HB       GLU  33   2.281  -2.409   9.702
  267   2HB   GLU  33          2HB       GLU  33   2.389  -3.563   8.380
  268   1HG   GLU  33          1HG       GLU  33   4.153  -3.933   9.995
  269   2HG   GLU  33          2HG       GLU  33   4.822  -3.422   8.446
  270    H    ILE  34           H        ILE  34   1.988  -2.580   5.654
  271    HA   ILE  34           HA       ILE  34   4.419  -3.534   4.578
  272    HB   ILE  34           HB       ILE  34   1.841  -2.895   3.152
  273   1HG1  ILE  34          1HG1      ILE  34   2.932  -5.494   4.248
  274   2HG1  ILE  34          2HG1      ILE  34   1.634  -4.549   4.969
  275   1HG2  ILE  34          1HG2      ILE  34   4.427  -4.012   2.250
  276   2HG2  ILE  34          2HG2      ILE  34   2.974  -4.834   1.679
  277   3HG2  ILE  34          3HG2      ILE  34   3.202  -3.116   1.351
  278   1HD1  ILE  34          1HD1      ILE  34   1.527  -5.729   2.217
  279   2HD1  ILE  34          2HD1      ILE  34   0.878  -6.505   3.661
  280   3HD1  ILE  34          3HD1      ILE  34   0.213  -4.967   3.111
  281    H    LEU  35           H        LEU  35   2.391  -0.765   3.617
  282    HA   LEU  35           HA       LEU  35   4.259   0.367   1.819
  283   1HB   LEU  35          1HB       LEU  35   2.080   1.729   3.418
  284   2HB   LEU  35          2HB       LEU  35   2.900   2.412   2.022
  285    HG   LEU  35           HG       LEU  35   1.241  -0.106   1.891
  286   1HD1  LEU  35          1HD1      LEU  35   0.468   2.767   1.451
  287   2HD1  LEU  35          2HD1      LEU  35  -0.439   1.412   0.780
  288   3HD1  LEU  35          3HD1      LEU  35  -0.282   1.589   2.528
  289   1HD2  LEU  35          1HD2      LEU  35   3.067   1.012   0.113
  290   2HD2  LEU  35          2HD2      LEU  35   1.853  -0.217  -0.246
  291   3HD2  LEU  35          3HD2      LEU  35   1.484   1.491  -0.505
  292    H    HIS  36           H        HIS  36   3.617   0.795   5.234
  293    HA   HIS  36           HA       HIS  36   5.295   2.952   5.795
  294   1HB   HIS  36          1HB       HIS  36   4.017   0.767   7.342
  295   2HB   HIS  36          2HB       HIS  36   5.352   1.590   8.127
  296    HD1  HIS  36           HD1      HIS  36   4.921   4.462   7.577
  297    HD2  HIS  36           HD2      HIS  36   1.748   1.871   8.259
  298    HE1  HIS  36           HE1      HIS  36   3.016   5.920   8.328
  299    HE2  HIS  36           HE2      HIS  36   1.069   4.343   8.605
  300    H    THR  37           H        THR  37   5.940  -0.531   5.923
  301    HA   THR  37           HA       THR  37   8.580  -0.400   6.838
  302    HB   THR  37           HB       THR  37   7.262  -2.482   5.083
  303    HG1  THR  37           HG1      THR  37   7.751  -2.394   7.893
  304   1HG2  THR  37          1HG2      THR  37   9.909  -2.497   6.522
  305   2HG2  THR  37          2HG2      THR  37   9.087  -3.970   6.009
  306   3HG2  THR  37          3HG2      THR  37   9.599  -2.785   4.809
  307    H    TYR  38           H        TYR  38   7.218  -0.234   3.596
  308    HA   TYR  38           HA       TYR  38   9.553  -0.433   2.101
  309   1HB   TYR  38          1HB       TYR  38   7.505  -0.555   0.952
  310   2HB   TYR  38          2HB       TYR  38   6.963   0.973   1.619
  311    HD1  TYR  38           HD1      TYR  38   9.704  -0.386  -0.510
  312    HD2  TYR  38           HD2      TYR  38   7.066   2.857   0.288
  313    HE1  TYR  38           HE1      TYR  38  10.556   0.782  -2.498
  314    HE2  TYR  38           HE2      TYR  38   7.903   4.033  -1.707
  315    HH   TYR  38           HH       TYR  38   9.140   3.829  -3.586
  316    H    GLN  39           H        GLN  39   7.896   2.520   3.205
  317    HA   GLN  39           HA       GLN  39   9.868   4.283   2.239
  318   1HB   GLN  39          1HB       GLN  39   7.723   4.627   4.319
  319   2HB   GLN  39          2HB       GLN  39   8.778   5.938   3.800
  320   1HG   GLN  39          1HG       GLN  39   6.973   4.360   1.985
  321   2HG   GLN  39          2HG       GLN  39   6.611   5.946   2.660
  322   2HE2  GLN  39          2HE2      GLN  39   7.085   7.620   1.446
  323   1HE2  GLN  39          1HE2      GLN  39   8.238   7.654   0.163
  324    H    LYS  40           H        LYS  40   9.349   2.884   5.460
  325    HA   LYS  40           HA       LYS  40  11.290   4.308   6.854
  326   1HB   LYS  40          1HB       LYS  40  10.359   1.463   7.257
  327   2HB   LYS  40          2HB       LYS  40  11.326   2.366   8.414
  328   1HG   LYS  40          1HG       LYS  40   9.545   3.972   8.707
  329   2HG   LYS  40          2HG       LYS  40   8.584   3.168   7.465
  330   1HD   LYS  40          1HD       LYS  40   8.525   1.135   8.847
  331   2HD   LYS  40          2HD       LYS  40   9.455   1.969  10.094
  332   1HE   LYS  40          1HE       LYS  40   7.668   3.588  10.378
  333   2HE   LYS  40          2HE       LYS  40   6.747   2.826   9.081
  334   1HZ   LYS  40          1HZ       LYS  40   7.542   1.034  11.200
  335   2HZ   LYS  40          2HZ       LYS  40   6.470   2.250  11.686
  336   3HZ   LYS  40          3HZ       LYS  40   6.046   1.203  10.429
  337    H    GLU  41           H        GLU  41  11.607   1.236   5.093
  338    HA   GLU  41           HA       GLU  41  14.433   1.080   5.626
  339   1HB   GLU  41          1HB       GLU  41  12.947  -0.922   5.372
  340   2HB   GLU  41          2HB       GLU  41  12.801  -0.538   3.663
  341   1HG   GLU  41          1HG       GLU  41  15.212  -0.821   3.391
  342   2HG   GLU  41          2HG       GLU  41  15.357  -1.205   5.106
  343    H    GLN  42           H        GLN  42  13.833   3.509   4.424
  344    HA   GLN  42           HA       GLN  42  15.522   3.393   2.095
  345   1HB   GLN  42          1HB       GLN  42  13.325   2.986   1.134
  346   2HB   GLN  42          2HB       GLN  42  12.684   4.402   1.951
  347   1HG   GLN  42          1HG       GLN  42  14.193   5.823   0.650
  348   2HG   GLN  42          2HG       GLN  42  14.792   4.398  -0.192
  349   2HE2  GLN  42          2HE2      GLN  42  11.612   3.834   0.388
  350   1HE2  GLN  42          1HE2      GLN  42  10.938   4.415  -1.090
  351    H    LEU  43           H        LEU  43  13.448   5.345   4.194
  352    HA   LEU  43           HA       LEU  43  14.457   7.865   3.609
  353   1HB   LEU  43          1HB       LEU  43  13.392   6.799   6.215
  354   2HB   LEU  43          2HB       LEU  43  13.659   8.498   5.875
  355    HG   LEU  43           HG       LEU  43  11.749   6.727   4.350
  356   1HD1  LEU  43          1HD1      LEU  43  11.253   7.304   6.828
  357   2HD1  LEU  43          2HD1      LEU  43  10.936   8.924   6.208
  358   3HD1  LEU  43          3HD1      LEU  43   9.996   7.555   5.615
  359   1HD2  LEU  43          1HD2      LEU  43  12.848   8.810   3.269
  360   2HD2  LEU  43          2HD2      LEU  43  11.101   8.597   3.152
  361   3HD2  LEU  43          3HD2      LEU  43  11.776   9.717   4.335
  362    H    HIS  44           H        HIS  44  15.600   5.456   5.928
  363    HA   HIS  44           HA       HIS  44  18.270   6.407   5.799
  364   1HB   HIS  44          1HB       HIS  44  18.455   7.053   8.226
  365   2HB   HIS  44          2HB       HIS  44  17.569   8.189   7.218
  366    HD1  HIS  44           HD1      HIS  44  16.926   8.656   9.964
  367    HD2  HIS  44           HD2      HIS  44  15.041   5.577   7.908
  368    HE1  HIS  44           HE1      HIS  44  14.812   8.189  11.242
  369    HE2  HIS  44           HE2      HIS  44  13.632   6.404   9.911
  370    H    THR  45           H        THR  45  19.610   4.788   6.249
  371    HA   THR  45           HA       THR  45  18.483   2.371   7.458
  372    HB   THR  45           HB       THR  45  20.430   1.201   6.521
  373    HG1  THR  45           HG1      THR  45  21.667   2.613   4.947
  374   1HG2  THR  45          1HG2      THR  45  18.725   2.889   4.725
  375   2HG2  THR  45          2HG2      THR  45  19.948   1.814   4.046
  376   3HG2  THR  45          3HG2      THR  45  18.644   1.154   5.033
  377    H    LYS  46           H        LYS  46  19.242   1.476   9.305
  378    HA   LYS  46           HA       LYS  46  20.724   3.077  11.108
  379   1HB   LYS  46          1HB       LYS  46  19.835   0.199  11.197
  380   2HB   LYS  46          2HB       LYS  46  20.776   0.923  12.492
  381   1HG   LYS  46          1HG       LYS  46  18.472   0.987  13.103
  382   2HG   LYS  46          2HG       LYS  46  18.998   2.633  12.758
  383   1HD   LYS  46          1HD       LYS  46  16.860   2.379  11.765
  384   2HD   LYS  46          2HD       LYS  46  18.031   2.341  10.450
  385   1HE   LYS  46          1HE       LYS  46  16.786  -0.084  11.743
  386   2HE   LYS  46          2HE       LYS  46  16.262   0.631  10.221
  387   1HZ   LYS  46          1HZ       LYS  46  18.688   0.252   9.517
  388   2HZ   LYS  46          2HZ       LYS  46  18.754  -0.827  10.817
  389   3HZ   LYS  46          3HZ       LYS  46  17.646  -1.079   9.564
  390    H    GLY  47           H        GLY  47  21.579   0.491   8.916
  391   1HA   GLY  47          1HA       GLY  47  23.945  -0.482   9.727
  392   2HA   GLY  47          2HA       GLY  47  24.388   1.146   9.233
  393    H    ARG  48           H        ARG  48  24.957  -1.652   8.154
  394    HA   ARG  48           HA       ARG  48  25.011  -0.936   5.422
  395   1HB   ARG  48          1HB       ARG  48  25.427  -3.620   6.746
  396   2HB   ARG  48          2HB       ARG  48  25.752  -3.289   5.051
  397   1HG   ARG  48          1HG       ARG  48  27.373  -1.543   5.770
  398   2HG   ARG  48          2HG       ARG  48  27.126  -2.077   7.433
  399   1HD   ARG  48          1HD       ARG  48  28.090  -3.829   5.177
  400   2HD   ARG  48          2HD       ARG  48  29.130  -3.074   6.382
  401    HE   ARG  48           HE       ARG  48  27.667  -5.468   6.691
  402   1HH1  ARG  48          1HH1      ARG  48  28.607  -2.600   8.432
  403   2HH1  ARG  48          2HH1      ARG  48  28.534  -3.362   9.986
  404   1HH2  ARG  48          1HH2      ARG  48  27.569  -6.481   8.731
  405   2HH2  ARG  48          2HH2      ARG  48  27.946  -5.569  10.155
  406    HA   PRO  49           HA       PRO  49  20.921  -2.196   4.237
  407   1HB   PRO  49          1HB       PRO  49  21.183  -1.970   1.572
  408   2HB   PRO  49          2HB       PRO  49  21.145  -0.551   2.628
  409   1HG   PRO  49          1HG       PRO  49  23.501  -1.943   1.408
  410   2HG   PRO  49          2HG       PRO  49  23.167  -0.204   1.521
  411   1HD   PRO  49          1HD       PRO  49  24.835  -1.514   3.231
  412   2HD   PRO  49          2HD       PRO  49  23.901  -0.077   3.696
  413    H    PHE  50           H        PHE  50  19.853  -4.000   3.472
  414    HA   PHE  50           HA       PHE  50  21.152  -6.014   1.907
  415   1HB   PHE  50          1HB       PHE  50  22.133  -6.466   4.143
  416   2HB   PHE  50          2HB       PHE  50  20.511  -6.676   4.791
  417    HD1  PHE  50           HD1      PHE  50  22.055  -7.900   1.628
  418    HD2  PHE  50           HD2      PHE  50  20.297  -8.893   5.374
  419    HE1  PHE  50           HE1      PHE  50  22.132 -10.284   1.026
  420    HE2  PHE  50           HE2      PHE  50  20.373 -11.279   4.781
  421    HZ   PHE  50           HZ       PHE  50  21.291 -11.979   2.605
  422    H    ARG  51           H        ARG  51  19.664  -7.163   0.816
  423    HA   ARG  51           HA       ARG  51  17.634  -7.814   0.026
  424   1HB   ARG  51          1HB       ARG  51  17.834  -8.861   2.447
  425   2HB   ARG  51          2HB       ARG  51  16.463  -7.815   2.707
  426   1HG   ARG  51          1HG       ARG  51  16.632  -9.918   0.586
  427   2HG   ARG  51          2HG       ARG  51  15.792 -10.077   2.128
  428   1HD   ARG  51          1HD       ARG  51  14.311  -8.233   1.512
  429   2HD   ARG  51          2HD       ARG  51  15.156  -8.068  -0.026
  430    HE   ARG  51           HE       ARG  51  13.816  -9.719  -0.818
  431   1HH1  ARG  51          1HH1      ARG  51  14.131 -10.166   2.628
  432   2HH1  ARG  51          2HH1      ARG  51  13.100 -11.558   2.667
  433   1HH2  ARG  51          1HH2      ARG  51  12.465 -11.550  -0.768
  434   2HH2  ARG  51          2HH2      ARG  51  12.156 -12.343   0.740
  435    H    GLY  52           H        GLY  52  17.917  -5.311  -0.424
  436   1HA   GLY  52          1HA       GLY  52  16.801  -3.358  -0.885
  437   2HA   GLY  52          2HA       GLY  52  16.297  -3.419   0.798
  438    H    MET  53           H        MET  53  14.302  -2.781   0.702
  439    HA   MET  53           HA       MET  53  12.357  -4.521  -0.595
  440   1HB   MET  53          1HB       MET  53  12.116  -4.079   1.781
  441   2HB   MET  53          2HB       MET  53  12.085  -2.351   1.480
  442   1HG   MET  53          1HG       MET  53   9.990  -2.600   0.244
  443   2HG   MET  53          2HG       MET  53  10.013  -4.333   0.569
  444   1HE   MET  53          1HE       MET  53   7.679  -3.400   0.977
  445   2HE   MET  53          2HE       MET  53   7.190  -3.760   2.634
  446   3HE   MET  53          3HE       MET  53   7.344  -2.084   2.103
  447    H    SER  54           H        SER  54  10.748  -3.749  -1.981
  448    HA   SER  54           HA       SER  54  10.697  -0.952  -2.699
  449   1HB   SER  54          1HB       SER  54  11.172  -1.343  -5.091
  450   2HB   SER  54          2HB       SER  54  12.556  -1.747  -4.076
  451    HG   SER  54           HG       SER  54  12.403  -3.752  -4.687
  452    H    GLU  55           H        GLU  55   9.406  -1.328  -5.211
  453    HA   GLU  55           HA       GLU  55   6.753  -1.656  -4.360
  454   1HB   GLU  55          1HB       GLU  55   7.858  -1.734  -7.171
  455   2HB   GLU  55          2HB       GLU  55   6.169  -1.502  -6.741
  456   1HG   GLU  55          1HG       GLU  55   6.752   0.574  -5.587
  457   2HG   GLU  55          2HG       GLU  55   8.439   0.346  -6.043
  458    H    GLU  56           H        GLU  56   9.006  -3.885  -5.873
  459    HA   GLU  56           HA       GLU  56   7.217  -5.877  -6.646
  460   1HB   GLU  56          1HB       GLU  56   9.150  -7.406  -6.551
  461   2HB   GLU  56          2HB       GLU  56   9.526  -5.895  -7.366
  462   1HG   GLU  56          1HG       GLU  56  10.613  -5.077  -5.329
  463   2HG   GLU  56          2HG       GLU  56  10.260  -6.612  -4.536
  464    H    GLU  57           H        GLU  57   8.943  -5.497  -3.547
  465    HA   GLU  57           HA       GLU  57   7.783  -7.825  -2.397
  466   1HB   GLU  57          1HB       GLU  57   9.885  -7.031  -1.545
  467   2HB   GLU  57          2HB       GLU  57   9.186  -5.470  -1.136
  468   1HG   GLU  57          1HG       GLU  57   8.008  -6.325   0.667
  469   2HG   GLU  57          2HG       GLU  57   8.131  -7.990   0.087
  470    H    VAL  58           H        VAL  58   7.028  -4.361  -2.134
  471    HA   VAL  58           HA       VAL  58   5.047  -4.490  -0.197
  472    HB   VAL  58           HB       VAL  58   5.074  -2.678  -2.620
  473   1HG1  VAL  58          1HG1      VAL  58   2.913  -2.874  -1.302
  474   2HG1  VAL  58          2HG1      VAL  58   3.786  -2.138   0.042
  475   3HG1  VAL  58          3HG1      VAL  58   3.589  -1.253  -1.471
  476   1HG2  VAL  58          1HG2      VAL  58   7.019  -2.835  -0.749
  477   2HG2  VAL  58          2HG2      VAL  58   6.588  -1.354  -1.606
  478   3HG2  VAL  58          3HG2      VAL  58   5.935  -1.665   0.004
  479    H    PHE  59           H        PHE  59   4.805  -4.987  -3.692
  480    HA   PHE  59           HA       PHE  59   2.020  -5.342  -3.838
  481   1HB   PHE  59          1HB       PHE  59   3.461  -4.974  -5.812
  482   2HB   PHE  59          2HB       PHE  59   4.179  -6.562  -5.576
  483    HD1  PHE  59           HD1      PHE  59   0.666  -5.290  -5.605
  484    HD2  PHE  59           HD2      PHE  59   3.513  -8.013  -7.210
  485    HE1  PHE  59           HE1      PHE  59  -1.086  -6.286  -7.016
  486    HE2  PHE  59           HE2      PHE  59   1.766  -9.014  -8.624
  487    HZ   PHE  59           HZ       PHE  59  -0.538  -8.149  -8.529
  488    H    THR  60           H        THR  60   4.649  -7.477  -3.021
  489    HA   THR  60           HA       THR  60   3.241  -9.921  -3.159
  490    HB   THR  60           HB       THR  60   5.735  -9.126  -1.661
  491    HG1  THR  60           HG1      THR  60   5.949 -10.949  -3.679
  492   1HG2  THR  60          1HG2      THR  60   4.516 -11.088  -0.633
  493   2HG2  THR  60          2HG2      THR  60   4.803 -11.947  -2.146
  494   3HG2  THR  60          3HG2      THR  60   6.168 -11.400  -1.168
  495    H    GLU  61           H        GLU  61   4.217  -8.019  -0.300
  496    HA   GLU  61           HA       GLU  61   2.917  -9.555   1.604
  497   1HB   GLU  61          1HB       GLU  61   3.488  -6.590   1.670
  498   2HB   GLU  61          2HB       GLU  61   3.090  -7.582   3.067
  499   1HG   GLU  61          1HG       GLU  61   5.115  -8.904   2.700
  500   2HG   GLU  61          2HG       GLU  61   5.517  -7.892   1.314
  501    H    VAL  62           H        VAL  62   1.716  -6.757  -0.225
  502    HA   VAL  62           HA       VAL  62  -0.772  -6.572   1.105
  503    HB   VAL  62           HB       VAL  62  -0.070  -5.753  -1.723
  504   1HG1  VAL  62          1HG1      VAL  62  -2.587  -5.977  -0.645
  505   2HG1  VAL  62          2HG1      VAL  62  -2.185  -4.285  -0.354
  506   3HG1  VAL  62          3HG1      VAL  62  -2.134  -4.934  -1.993
  507   1HG2  VAL  62          1HG2      VAL  62   0.672  -4.687   0.824
  508   2HG2  VAL  62          2HG2      VAL  62   1.098  -4.111  -0.789
  509   3HG2  VAL  62          3HG2      VAL  62  -0.375  -3.536  -0.007
  510    H    ALA  63           H        ALA  63   0.301  -8.357  -1.755
  511    HA   ALA  63           HA       ALA  63  -2.198  -9.365  -2.553
  512   1HB   ALA  63          1HB       ALA  63  -0.190 -11.305  -3.087
  513   2HB   ALA  63          2HB       ALA  63  -0.939 -10.161  -4.201
  514   3HB   ALA  63          3HB       ALA  63   0.514  -9.705  -3.313
  515    H    ASN  64           H        ASN  64   0.212 -10.534  -0.277
  516    HA   ASN  64           HA       ASN  64  -0.980 -13.009   0.327
  517   1HB   ASN  64          1HB       ASN  64   0.926 -11.219   1.833
  518   2HB   ASN  64          2HB       ASN  64   0.391 -12.775   2.473
  519   2HD2  ASN  64          2HD2      ASN  64   2.825 -11.320   0.916
  520   1HD2  ASN  64          1HD2      ASN  64   3.459 -12.648   0.013
  521    H    LEU  65           H        LEU  65  -1.425  -9.778   1.639
  522    HA   LEU  65           HA       LEU  65  -3.014 -10.471   3.862
  523   1HB   LEU  65          1HB       LEU  65  -2.281  -8.058   2.373
  524   2HB   LEU  65          2HB       LEU  65  -3.862  -7.977   3.117
  525    HG   LEU  65           HG       LEU  65  -1.306  -8.587   4.595
  526   1HD1  LEU  65          1HD1      LEU  65  -2.472  -6.116   3.682
  527   2HD1  LEU  65          2HD1      LEU  65  -2.388  -6.165   5.444
  528   3HD1  LEU  65          3HD1      LEU  65  -0.926  -6.399   4.484
  529   1HD2  LEU  65          1HD2      LEU  65  -4.167  -8.554   5.316
  530   2HD2  LEU  65          2HD2      LEU  65  -2.825  -9.447   6.035
  531   3HD2  LEU  65          3HD2      LEU  65  -3.076  -7.749   6.444
  532    H    PHE  66           H        PHE  66  -4.035  -8.883   0.867
  533    HA   PHE  66           HA       PHE  66  -6.792  -9.531   1.274
  534   1HB   PHE  66          1HB       PHE  66  -5.419  -8.432  -1.185
  535   2HB   PHE  66          2HB       PHE  66  -7.147  -8.405  -0.865
  536    HD1  PHE  66           HD1      PHE  66  -6.078  -7.782   2.256
  537    HD2  PHE  66           HD2      PHE  66  -5.928  -5.953  -1.592
  538    HE1  PHE  66           HE1      PHE  66  -5.846  -5.575   3.316
  539    HE2  PHE  66           HE2      PHE  66  -5.700  -3.744  -0.532
  540    HZ   PHE  66           HZ       PHE  66  -5.657  -3.554   1.922
  541    H    ARG  67           H        ARG  67  -5.418 -11.927   1.270
  542    HA   ARG  67           HA       ARG  67  -5.273 -13.220  -1.220
  543   1HB   ARG  67          1HB       ARG  67  -4.192 -14.083   0.810
  544   2HB   ARG  67          2HB       ARG  67  -5.769 -14.404   1.518
  545   1HG   ARG  67          1HG       ARG  67  -6.232 -16.057  -0.194
  546   2HG   ARG  67          2HG       ARG  67  -4.690 -15.702  -0.977
  547   1HD   ARG  67          1HD       ARG  67  -3.511 -16.431   1.048
  548   2HD   ARG  67          2HD       ARG  67  -5.057 -16.802   1.809
  549    HE   ARG  67           HE       ARG  67  -4.924 -18.207  -0.598
  550   1HH1  ARG  67          1HH1      ARG  67  -3.321 -18.131   2.496
  551   2HH1  ARG  67          2HH1      ARG  67  -2.914 -19.814   2.471
  552   1HH2  ARG  67          1HH2      ARG  67  -4.391 -20.425  -0.638
  553   2HH2  ARG  67          2HH2      ARG  67  -3.519 -21.117   0.688
  554    H    GLY  68           H        GLY  68  -6.729 -14.312  -2.435
  555   1HA   GLY  68          1HA       GLY  68  -9.353 -14.981  -1.428
  556   2HA   GLY  68          2HA       GLY  68  -8.751 -15.271  -3.054
  557    H    GLN  69           H        GLN  69  -8.985 -12.239  -1.233
  558    HA   GLN  69           HA       GLN  69 -11.066 -11.311  -3.064
  559   1HB   GLN  69          1HB       GLN  69 -11.184  -9.353  -1.471
  560   2HB   GLN  69          2HB       GLN  69 -11.628 -10.913  -0.794
  561   1HG   GLN  69          1HG       GLN  69  -9.296 -11.067   0.116
  562   2HG   GLN  69          2HG       GLN  69  -9.071  -9.391  -0.388
  563   2HE2  GLN  69          2HE2      GLN  69  -9.708 -11.229   2.185
  564   1HE2  GLN  69          1HE2      GLN  69 -10.652 -10.135   3.132
  565    H    GLU  70           H        GLU  70  -8.958 -11.521  -4.544
  566    HA   GLU  70           HA       GLU  70  -7.083  -9.415  -4.486
  567   1HB   GLU  70          1HB       GLU  70  -7.949 -11.291  -6.665
  568   2HB   GLU  70          2HB       GLU  70  -6.725 -10.054  -6.923
  569   1HG   GLU  70          1HG       GLU  70  -5.465 -11.899  -6.400
  570   2HG   GLU  70          2HG       GLU  70  -5.584 -11.076  -4.852
  571    H    ASP  71           H        ASP  71 -10.240  -8.953  -4.747
  572    HA   ASP  71           HA       ASP  71 -10.597  -7.414  -7.074
  573   1HB   ASP  71          1HB       ASP  71 -12.479  -8.205  -5.711
  574   2HB   ASP  71          2HB       ASP  71 -11.970  -7.149  -4.402
  575    H    LEU  72           H        LEU  72  -9.608  -6.594  -3.802
  576    HA   LEU  72           HA       LEU  72  -9.258  -3.803  -4.264
  577   1HB   LEU  72          1HB       LEU  72  -8.086  -5.627  -2.156
  578   2HB   LEU  72          2HB       LEU  72  -8.023  -3.875  -2.118
  579    HG   LEU  72           HG       LEU  72 -10.643  -5.345  -2.187
  580   1HD1  LEU  72          1HD1      LEU  72  -8.732  -5.079   0.027
  581   2HD1  LEU  72          2HD1      LEU  72 -10.382  -4.578   0.398
  582   3HD1  LEU  72          3HD1      LEU  72 -10.069  -6.211  -0.195
  583   1HD2  LEU  72          1HD2      LEU  72 -10.358  -2.845  -2.692
  584   2HD2  LEU  72          2HD2      LEU  72 -11.573  -3.317  -1.502
  585   3HD2  LEU  72          3HD2      LEU  72 -10.018  -2.678  -0.969
  586    H    LEU  73           H        LEU  73  -7.222  -6.653  -4.369
  587    HA   LEU  73           HA       LEU  73  -4.712  -5.549  -4.589
  588   1HB   LEU  73          1HB       LEU  73  -5.976  -8.044  -4.829
  589   2HB   LEU  73          2HB       LEU  73  -5.058  -7.829  -6.288
  590    HG   LEU  73           HG       LEU  73  -3.673  -9.009  -4.753
  591   1HD1  LEU  73          1HD1      LEU  73  -2.628  -7.124  -6.046
  592   2HD1  LEU  73          2HD1      LEU  73  -2.757  -6.150  -4.580
  593   3HD1  LEU  73          3HD1      LEU  73  -1.767  -7.609  -4.585
  594   1HD2  LEU  73          1HD2      LEU  73  -4.359  -6.831  -2.792
  595   2HD2  LEU  73          2HD2      LEU  73  -4.887  -8.513  -2.732
  596   3HD2  LEU  73          3HD2      LEU  73  -3.182  -8.114  -2.510
  597    H    SER  74           H        SER  74  -7.172  -6.130  -7.040
  598    HA   SER  74           HA       SER  74  -5.697  -5.610  -9.336
  599   1HB   SER  74          1HB       SER  74  -7.998  -6.519  -9.315
  600   2HB   SER  74          2HB       SER  74  -8.602  -4.936  -8.819
  601    HG   SER  74           HG       SER  74  -8.579  -4.389 -10.837
  602    H    GLU  75           H        GLU  75  -7.339  -3.404  -7.119
  603    HA   GLU  75           HA       GLU  75  -6.901  -1.053  -8.644
  604   1HB   GLU  75          1HB       GLU  75  -7.445  -1.439  -5.708
  605   2HB   GLU  75          2HB       GLU  75  -7.407   0.126  -6.512
  606   1HG   GLU  75          1HG       GLU  75  -9.299  -2.139  -7.092
  607   2HG   GLU  75          2HG       GLU  75  -9.671  -0.629  -6.272
  608    H    PHE  76           H        PHE  76  -5.175  -2.559  -5.953
  609    HA   PHE  76           HA       PHE  76  -3.228  -0.617  -5.515
  610   1HB   PHE  76          1HB       PHE  76  -3.646  -2.563  -4.047
  611   2HB   PHE  76          2HB       PHE  76  -2.944  -3.620  -5.262
  612    HD1  PHE  76           HD1      PHE  76  -1.768  -0.302  -4.042
  613    HD2  PHE  76           HD2      PHE  76  -1.044  -4.489  -4.281
  614    HE1  PHE  76           HE1      PHE  76   0.449   0.028  -3.029
  615    HE2  PHE  76           HE2      PHE  76   1.174  -4.168  -3.268
  616    HZ   PHE  76           HZ       PHE  76   1.922  -1.905  -2.640
  617    H    GLY  77           H        GLY  77  -3.286  -3.323  -7.783
  618   1HA   GLY  77          1HA       GLY  77  -2.024  -3.792  -9.639
  619   2HA   GLY  77          2HA       GLY  77  -0.666  -3.126  -8.746
  620    H    GLN  78           H        GLN  78  -3.609  -1.463  -9.802
  621    HA   GLN  78           HA       GLN  78  -2.682  -0.292 -12.129
  622   1HB   GLN  78          1HB       GLN  78  -4.587   0.853 -10.082
  623   2HB   GLN  78          2HB       GLN  78  -4.367   1.485 -11.708
  624   1HG   GLN  78          1HG       GLN  78  -5.132  -0.639 -12.638
  625   2HG   GLN  78          2HG       GLN  78  -5.358  -1.268 -11.006
  626   2HE2  GLN  78          2HE2      GLN  78  -7.402  -1.305 -10.454
  627   1HE2  GLN  78          1HE2      GLN  78  -8.596  -0.127 -10.870
  628    H    PHE  79           H        PHE  79  -2.329   0.833  -8.793
  629    HA   PHE  79           HA       PHE  79  -1.110   3.301  -9.391
  630   1HB   PHE  79          1HB       PHE  79  -0.986   1.543  -6.938
  631   2HB   PHE  79          2HB       PHE  79  -0.210   3.120  -7.022
  632    HD1  PHE  79           HD1      PHE  79  -3.568   1.717  -7.908
  633    HD2  PHE  79           HD2      PHE  79  -1.350   4.777  -5.952
  634    HE1  PHE  79           HE1      PHE  79  -5.669   2.793  -7.224
  635    HE2  PHE  79           HE2      PHE  79  -3.449   5.859  -5.263
  636    HZ   PHE  79           HZ       PHE  79  -5.612   4.868  -5.899
  637    H    LEU  80           H        LEU  80   0.231   0.103  -8.693
  638    HA   LEU  80           HA       LEU  80   2.947   0.841  -8.794
  639   1HB   LEU  80          1HB       LEU  80   1.732  -1.838  -9.471
  640   2HB   LEU  80          2HB       LEU  80   3.400  -1.537  -9.026
  641    HG   LEU  80           HG       LEU  80   0.998  -1.200  -7.226
  642   1HD1  LEU  80          1HD1      LEU  80   3.077  -3.327  -7.528
  643   2HD1  LEU  80          2HD1      LEU  80   2.316  -3.031  -5.965
  644   3HD1  LEU  80          3HD1      LEU  80   1.329  -3.485  -7.354
  645   1HD2  LEU  80          1HD2      LEU  80   2.835   0.432  -6.819
  646   2HD2  LEU  80          2HD2      LEU  80   2.529  -0.664  -5.472
  647   3HD2  LEU  80          3HD2      LEU  80   3.916  -0.931  -6.530
  648    HA   PRO  81           HA       PRO  81   3.609   1.605 -13.107
  649   1HB   PRO  81          1HB       PRO  81   6.285   0.458 -12.681
  650   2HB   PRO  81          2HB       PRO  81   5.834   2.055 -13.269
  651   1HG   PRO  81          1HG       PRO  81   6.829   1.720 -10.809
  652   2HG   PRO  81          2HG       PRO  81   5.554   2.909 -11.138
  653   1HD   PRO  81          1HD       PRO  81   5.348   0.206  -9.873
  654   2HD   PRO  81          2HD       PRO  81   4.499   1.711  -9.466
  655    H    GLU  82           H        GLU  82   3.300   0.469 -14.938
  656    HA   GLU  82           HA       GLU  82   3.040  -2.386 -14.770
  657   1HB   GLU  82          1HB       GLU  82   2.758  -0.536 -17.143
  658   2HB   GLU  82          2HB       GLU  82   2.282  -2.228 -17.106
  659   1HG   GLU  82          1HG       GLU  82   0.631  -1.731 -15.379
  660   2HG   GLU  82          2HG       GLU  82   1.112  -0.035 -15.407
  661    H    ALA  83           H        ALA  83   5.713  -1.620 -14.321
  662    HA   ALA  83           HA       ALA  83   7.299  -1.861 -16.666
  663   1HB   ALA  83          1HB       ALA  83   8.817  -1.120 -15.229
  664   2HB   ALA  83          2HB       ALA  83   8.818  -2.702 -14.450
  665   3HB   ALA  83          3HB       ALA  83   7.733  -1.435 -13.873
  666    H    LYS  84           H        LYS  84   9.196  -3.731 -16.192
  667    HA   LYS  84           HA       LYS  84   8.322  -6.292 -15.459
  668   1HB   LYS  84          1HB       LYS  84   6.849  -5.926 -17.476
  669   2HB   LYS  84          2HB       LYS  84   8.305  -5.866 -18.456
  670   1HG   LYS  84          1HG       LYS  84   7.606  -8.235 -16.743
  671   2HG   LYS  84          2HG       LYS  84   7.046  -8.059 -18.406
  672   1HD   LYS  84          1HD       LYS  84   9.377  -7.919 -19.165
  673   2HD   LYS  84          2HD       LYS  84   9.925  -8.114 -17.499
  674   1HE   LYS  84          1HE       LYS  84   8.283 -10.121 -19.040
  675   2HE   LYS  84          2HE       LYS  84  10.024 -10.216 -18.781
  676   1HZ   LYS  84          1HZ       LYS  84   8.972  -9.884 -16.280
  677   2HZ   LYS  84          2HZ       LYS  84   7.891 -10.947 -17.031
  678   3HZ   LYS  84          3HZ       LYS  84   9.535 -11.336 -16.944
  679    H    ARG  85           H        ARG  85  10.143  -7.320 -14.994
  680    HA   ARG  85           HA       ARG  85  12.645  -6.406 -16.153
  681   1HB   ARG  85          1HB       ARG  85  13.676  -7.928 -14.465
  682   2HB   ARG  85          2HB       ARG  85  12.639  -6.689 -13.772
  683   1HG   ARG  85          1HG       ARG  85  10.836  -8.339 -13.555
  684   2HG   ARG  85          2HG       ARG  85  11.908  -9.577 -14.208
  685   1HD   ARG  85          1HD       ARG  85  11.802  -9.647 -11.755
  686   2HD   ARG  85          2HD       ARG  85  13.426  -9.289 -12.341
  687    HE   ARG  85           HE       ARG  85  13.318  -7.361 -11.148
  688   1HH1  ARG  85          1HH1      ARG  85  10.054  -8.269 -11.991
  689   2HH1  ARG  85          2HH1      ARG  85   9.336  -6.921 -11.173
  690   1HH2  ARG  85          1HH2      ARG  85  12.374  -5.591 -10.072
  691   2HH2  ARG  85          2HH2      ARG  85  10.652  -5.403 -10.084
  692    H1   ASN   1           H1       ASN   1   1.613   4.079  -7.158
  693    H2   ASN   1           H2       ASN   1   2.241   5.117  -8.337
  694    H3   ASN   1           H3       ASN   1   3.259   4.468  -7.152
  695    HA   ASN   1           HA       ASN   1   2.830   6.716  -6.573
  696   1HB   ASN   1          1HB       ASN   1  -0.083   5.924  -6.829
  697   2HB   ASN   1          2HB       ASN   1   0.497   7.490  -6.268
  698   2HD2  ASN   1          2HD2      ASN   1  -0.764   5.975  -8.833
  699   1HD2  ASN   1          1HD2      ASN   1  -0.108   6.932 -10.114
  700    H    ILE   2           H        ILE   2   3.574   4.451  -5.192
  701    HA   ILE   2           HA       ILE   2   2.016   3.709  -3.005
  702    HB   ILE   2           HB       ILE   2   5.027   3.910  -3.183
  703   1HG1  ILE   2          1HG1      ILE   2   4.030   2.436  -4.874
  704   2HG1  ILE   2          2HG1      ILE   2   4.930   1.509  -3.679
  705   1HG2  ILE   2          1HG2      ILE   2   3.285   2.479  -1.183
  706   2HG2  ILE   2          2HG2      ILE   2   5.028   2.257  -1.338
  707   3HG2  ILE   2          3HG2      ILE   2   4.377   3.827  -0.867
  708   1HD1  ILE   2          1HD1      ILE   2   2.335   1.590  -2.694
  709   2HD1  ILE   2          2HD1      ILE   2   2.155   1.343  -4.430
  710   3HD1  ILE   2          3HD1      ILE   2   3.135   0.228  -3.477
  711    H    GLN   3           H        GLN   3   4.118   6.483  -3.473
  712    HA   GLN   3           HA       GLN   3   4.268   7.408  -0.849
  713   1HB   GLN   3          1HB       GLN   3   5.699   8.502  -2.305
  714   2HB   GLN   3          2HB       GLN   3   4.470   8.677  -3.548
  715   1HG   GLN   3          1HG       GLN   3   5.146  10.809  -2.519
  716   2HG   GLN   3          2HG       GLN   3   3.426  10.468  -2.355
  717   2HE2  GLN   3          2HE2      GLN   3   2.671  11.077  -0.488
  718   1HE2  GLN   3          1HE2      GLN   3   3.490  10.994   1.032
  719    H    MET   4           H        MET   4   1.861   8.051  -3.367
  720    HA   MET   4           HA       MET   4   0.296   9.798  -1.756
  721   1HB   MET   4          1HB       MET   4  -0.468   8.280  -4.253
  722   2HB   MET   4          2HB       MET   4  -1.366   9.619  -3.548
  723   1HG   MET   4          1HG       MET   4   0.584  11.079  -3.913
  724   2HG   MET   4          2HG       MET   4   1.412   9.735  -4.696
  725   1HE   MET   4          1HE       MET   4  -1.575  12.257  -4.878
  726   2HE   MET   4          2HE       MET   4  -2.400  11.745  -6.350
  727   3HE   MET   4          3HE       MET   4  -2.410  10.705  -4.925
  728    H    LEU   5           H        LEU   5   0.017   6.355  -2.605
  729    HA   LEU   5           HA       LEU   5  -2.462   5.889  -1.372
  730   1HB   LEU   5          1HB       LEU   5  -1.198   4.349  -2.946
  731   2HB   LEU   5          2HB       LEU   5  -0.216   3.882  -1.567
  732    HG   LEU   5           HG       LEU   5  -2.179   2.999  -0.425
  733   1HD1  LEU   5          1HD1      LEU   5  -3.565   4.634  -2.289
  734   2HD1  LEU   5          2HD1      LEU   5  -4.087   2.965  -2.517
  735   3HD1  LEU   5          3HD1      LEU   5  -4.215   3.719  -0.929
  736   1HD2  LEU   5          1HD2      LEU   5  -1.217   2.029  -2.989
  737   2HD2  LEU   5          2HD2      LEU   5  -1.540   1.149  -1.495
  738   3HD2  LEU   5          3HD2      LEU   5  -2.853   1.477  -2.626
  739    H    LEU   6           H        LEU   6   0.827   5.394  -0.126
  740    HA   LEU   6           HA       LEU   6   0.089   4.549   2.444
  741   1HB   LEU   6          1HB       LEU   6   2.326   4.206   1.616
  742   2HB   LEU   6          2HB       LEU   6   2.578   5.930   1.444
  743    HG   LEU   6           HG       LEU   6   2.605   6.221   3.847
  744   1HD1  LEU   6          1HD1      LEU   6   0.930   4.358   4.259
  745   2HD1  LEU   6          2HD1      LEU   6   2.298   3.248   4.163
  746   3HD1  LEU   6          3HD1      LEU   6   2.260   4.495   5.410
  747   1HD2  LEU   6          1HD2      LEU   6   4.528   4.903   2.357
  748   2HD2  LEU   6          2HD2      LEU   6   4.754   5.632   3.948
  749   3HD2  LEU   6          3HD2      LEU   6   4.370   3.917   3.811
  750    H    GLU   7           H        GLU   7   0.627   7.733   1.064
  751    HA   GLU   7           HA       GLU   7   0.494   9.227   3.452
  752   1HB   GLU   7          1HB       GLU   7   1.372  10.161   1.370
  753   2HB   GLU   7          2HB       GLU   7  -0.206  10.014   0.615
  754   1HG   GLU   7          1HG       GLU   7   0.175  12.298   1.240
  755   2HG   GLU   7          2HG       GLU   7  -1.110  11.626   2.241
  756    H    ALA   8           H        ALA   8  -1.947   8.004   1.248
  757    HA   ALA   8           HA       ALA   8  -4.180   9.438   2.047
  758   1HB   ALA   8          1HB       ALA   8  -4.007   7.792   0.148
  759   2HB   ALA   8          2HB       ALA   8  -4.221   6.511   1.342
  760   3HB   ALA   8          3HB       ALA   8  -5.493   7.708   1.095
  761    H    ALA   9           H        ALA   9  -2.710   6.584   3.516
  762    HA   ALA   9           HA       ALA   9  -4.674   5.904   5.350
  763   1HB   ALA   9          1HB       ALA   9  -2.390   4.789   4.784
  764   2HB   ALA   9          2HB       ALA   9  -1.793   5.766   6.125
  765   3HB   ALA   9          3HB       ALA   9  -3.087   4.596   6.391
  766    H    ASP  10           H        ASP  10  -2.052   8.271   5.668
  767    HA   ASP  10           HA       ASP  10  -2.561   8.990   8.343
  768   1HB   ASP  10          1HB       ASP  10  -0.465   9.528   7.130
  769   2HB   ASP  10          2HB       ASP  10  -1.352  10.684   6.144
  770    H    TYR  11           H        TYR  11  -3.796  10.214   5.279
  771    HA   TYR  11           HA       TYR  11  -5.117  12.496   6.177
  772   1HB   TYR  11          1HB       TYR  11  -4.821  12.061   3.820
  773   2HB   TYR  11          2HB       TYR  11  -5.806  10.607   3.922
  774    HD1  TYR  11           HD1      TYR  11  -6.178  14.213   4.875
  775    HD2  TYR  11           HD2      TYR  11  -7.891  10.801   2.993
  776    HE1  TYR  11           HE1      TYR  11  -8.177  15.532   4.316
  777    HE2  TYR  11           HE2      TYR  11  -9.890  12.112   2.423
  778    HH   TYR  11           HH       TYR  11 -10.027  15.558   2.891
  779    H    LEU  12           H        LEU  12  -6.474   9.237   5.677
  780    HA   LEU  12           HA       LEU  12  -9.026   9.833   6.692
  781   1HB   LEU  12          1HB       LEU  12  -7.567   7.196   6.532
  782   2HB   LEU  12          2HB       LEU  12  -9.274   7.368   6.894
  783    HG   LEU  12           HG       LEU  12  -7.966   8.229   4.309
  784   1HD1  LEU  12          1HD1      LEU  12  -9.413   5.737   5.131
  785   2HD1  LEU  12          2HD1      LEU  12  -9.441   6.290   3.456
  786   3HD1  LEU  12          3HD1      LEU  12  -7.904   5.904   4.234
  787   1HD2  LEU  12          1HD2      LEU  12 -10.041   9.460   5.104
  788   2HD2  LEU  12          2HD2      LEU  12 -10.124   8.713   3.508
  789   3HD2  LEU  12          3HD2      LEU  12 -10.901   7.935   4.887
  790    H    GLU  13           H        GLU  13  -6.195   8.346   8.247
  791    HA   GLU  13           HA       GLU  13  -7.386   7.924  10.756
  792   1HB   GLU  13          1HB       GLU  13  -5.284   6.853  10.081
  793   2HB   GLU  13          2HB       GLU  13  -4.477   8.416  10.094
  794   1HG   GLU  13          1HG       GLU  13  -4.893   8.606  12.496
  795   2HG   GLU  13          2HG       GLU  13  -5.688   7.034  12.478

  No H/Q in entry =         795
  Start of MODEL    6
    1    H1   GLU   1           H1       GLU   1  -5.013  26.459  -5.903
    2    H2   GLU   1           H2       GLU   1  -3.744  27.261  -5.121
    3    H3   GLU   1           H3       GLU   1  -3.459  26.436  -6.570
    4    HA   GLU   1           HA       GLU   1  -2.949  24.619  -5.461
    5   1HB   GLU   1          1HB       GLU   1  -2.285  26.274  -3.720
    6   2HB   GLU   1          2HB       GLU   1  -3.876  26.111  -2.994
    7   1HG   GLU   1          1HG       GLU   1  -1.946  23.827  -3.318
    8   2HG   GLU   1          2HG       GLU   1  -2.053  24.827  -1.872
    9    H    SER   2           H        SER   2  -3.926  22.690  -5.261
   10    HA   SER   2           HA       SER   2  -6.347  22.240  -3.866
   11   1HB   SER   2          1HB       SER   2  -7.348  23.397  -5.780
   12   2HB   SER   2          2HB       SER   2  -6.551  22.280  -6.888
   13    HG   SER   2           HG       SER   2  -8.724  21.857  -5.177
   14    H    ASP   3           H        ASP   3  -6.497  20.134  -3.358
   15    HA   ASP   3           HA       ASP   3  -4.432  18.350  -4.020
   16   1HB   ASP   3          1HB       ASP   3  -7.170  17.749  -2.879
   17   2HB   ASP   3          2HB       ASP   3  -5.795  16.650  -2.863
   18    H    SER   4           H        SER   4  -4.177  16.905  -5.622
   19    HA   SER   4           HA       SER   4  -5.762  16.992  -7.920
   20   1HB   SER   4          1HB       SER   4  -4.401  14.816  -8.398
   21   2HB   SER   4          2HB       SER   4  -3.590  16.368  -8.354
   22    HG   SER   4           HG       SER   4  -2.950  15.898  -6.225
   23    H    VAL   5           H        VAL   5  -7.026  15.460  -8.879
   24    HA   VAL   5           HA       VAL   5  -8.992  14.246  -7.339
   25    HB   VAL   5           HB       VAL   5  -8.066  13.650 -10.151
   26   1HG1  VAL   5          1HG1      VAL   5  -9.497  11.874  -8.796
   27   2HG1  VAL   5          2HG1      VAL   5 -10.816  12.962  -9.232
   28   3HG1  VAL   5          3HG1      VAL   5  -9.829  12.224 -10.494
   29   1HG2  VAL   5          1HG2      VAL   5 -10.182  15.438  -8.988
   30   2HG2  VAL   5          2HG2      VAL   5  -8.847  15.862 -10.061
   31   3HG2  VAL   5          3HG2      VAL   5 -10.210  14.925 -10.675
   32    H    GLU   6           H        GLU   6  -5.973  13.001  -8.634
   33    HA   GLU   6           HA       GLU   6  -6.335  10.277  -8.121
   34   1HB   GLU   6          1HB       GLU   6  -3.766  11.861  -8.072
   35   2HB   GLU   6          2HB       GLU   6  -3.893  10.112  -8.205
   36   1HG   GLU   6          1HG       GLU   6  -5.064  10.362 -10.335
   37   2HG   GLU   6          2HG       GLU   6  -4.918  12.115 -10.205
   38    H    PHE   7           H        PHE   7  -5.295  12.898  -6.010
   39    HA   PHE   7           HA       PHE   7  -4.302  11.360  -3.887
   40   1HB   PHE   7          1HB       PHE   7  -3.956  13.777  -4.012
   41   2HB   PHE   7          2HB       PHE   7  -5.681  14.052  -3.800
   42    HD1  PHE   7           HD1      PHE   7  -3.456  11.685  -1.985
   43    HD2  PHE   7           HD2      PHE   7  -5.832  15.213  -1.800
   44    HE1  PHE   7           HE1      PHE   7  -3.139  11.766   0.453
   45    HE2  PHE   7           HE2      PHE   7  -5.520  15.298   0.640
   46    HZ   PHE   7           HZ       PHE   7  -4.173  13.574   1.769
   47    H    ASN   8           H        ASN   8  -7.549  12.806  -4.252
   48    HA   ASN   8           HA       ASN   8  -8.670  11.476  -2.024
   49   1HB   ASN   8          1HB       ASN   8 -10.024  13.222  -2.599
   50   2HB   ASN   8          2HB       ASN   8  -9.633  13.096  -4.309
   51   2HD2  ASN   8          2HD2      ASN   8 -11.192  12.477  -5.561
   52   1HD2  ASN   8          1HD2      ASN   8 -12.556  11.530  -5.105
   53    H    ASN   9           H        ASN   9  -8.240  10.748  -5.372
   54    HA   ASN   9           HA       ASN   9  -9.917   8.568  -5.757
   55   1HB   ASN   9          1HB       ASN   9  -8.556   9.791  -7.482
   56   2HB   ASN   9          2HB       ASN   9  -7.138   8.947  -6.895
   57   2HD2  ASN   9          2HD2      ASN   9  -8.798   9.036  -9.413
   58   1HD2  ASN   9          1HD2      ASN   9  -8.954   7.378  -9.824
   59    H    ALA  10           H        ALA  10  -6.661   8.781  -4.420
   60    HA   ALA  10           HA       ALA  10  -6.290   5.979  -4.062
   61   1HB   ALA  10          1HB       ALA  10  -4.615   7.251  -2.255
   62   2HB   ALA  10          2HB       ALA  10  -4.215   6.777  -3.905
   63   3HB   ALA  10          3HB       ALA  10  -4.791   8.409  -3.573
   64    H    ILE  11           H        ILE  11  -7.430   8.624  -2.015
   65    HA   ILE  11           HA       ILE  11  -7.484   7.378   0.457
   66    HB   ILE  11           HB       ILE  11  -9.663   9.192  -0.581
   67   1HG1  ILE  11          1HG1      ILE  11  -7.444  10.203  -0.936
   68   2HG1  ILE  11          2HG1      ILE  11  -8.358  11.063   0.293
   69   1HG2  ILE  11          1HG2      ILE  11  -8.784   8.289   2.127
   70   2HG2  ILE  11          2HG2      ILE  11  -9.592   9.844   1.923
   71   3HG2  ILE  11          3HG2      ILE  11 -10.411   8.355   1.439
   72   1HD1  ILE  11          1HD1      ILE  11  -6.751   9.031   1.512
   73   2HD1  ILE  11          2HD1      ILE  11  -5.760  10.056   0.473
   74   3HD1  ILE  11          3HD1      ILE  11  -6.730  10.777   1.757
   75    H    SER  12           H        SER  12  -9.831   7.254  -2.171
   76    HA   SER  12           HA       SER  12 -11.864   5.842  -0.930
   77   1HB   SER  12          1HB       SER  12 -12.100   6.837  -3.158
   78   2HB   SER  12          2HB       SER  12 -10.966   5.659  -3.817
   79    HG   SER  12           HG       SER  12 -12.653   4.452  -4.102
   80    H    TYR  13           H        TYR  13  -8.878   4.642  -2.406
   81    HA   TYR  13           HA       TYR  13  -9.571   1.899  -2.274
   82   1HB   TYR  13          1HB       TYR  13  -7.743   2.797  -3.696
   83   2HB   TYR  13          2HB       TYR  13  -6.805   3.121  -2.243
   84    HD1  TYR  13           HD1      TYR  13  -8.871   0.167  -3.200
   85    HD2  TYR  13           HD2      TYR  13  -4.998   1.657  -2.259
   86    HE1  TYR  13           HE1      TYR  13  -7.985  -2.122  -3.256
   87    HE2  TYR  13           HE2      TYR  13  -4.099  -0.633  -2.317
   88    HH   TYR  13           HH       TYR  13  -6.207  -3.414  -3.005
   89    H    VAL  14           H        VAL  14  -7.394   3.837  -0.218
   90    HA   VAL  14           HA       VAL  14  -6.895   1.878   1.711
   91    HB   VAL  14           HB       VAL  14  -7.059   4.856   2.201
   92   1HG1  VAL  14          1HG1      VAL  14  -6.647   2.777   3.992
   93   2HG1  VAL  14          2HG1      VAL  14  -5.027   3.378   3.642
   94   3HG1  VAL  14          3HG1      VAL  14  -6.264   4.480   4.248
   95   1HG2  VAL  14          1HG2      VAL  14  -5.336   3.405   0.480
   96   2HG2  VAL  14          2HG2      VAL  14  -5.272   5.115   0.908
   97   3HG2  VAL  14          3HG2      VAL  14  -4.389   3.932   1.872
   98    H    ASN  15           H        ASN  15  -9.469   4.252   1.487
   99    HA   ASN  15           HA       ASN  15 -10.646   3.826   4.007
  100   1HB   ASN  15          1HB       ASN  15 -11.002   5.740   2.384
  101   2HB   ASN  15          2HB       ASN  15 -12.075   4.679   1.499
  102   2HD2  ASN  15          2HD2      ASN  15 -13.893   5.845   1.828
  103   1HD2  ASN  15          1HD2      ASN  15 -14.658   6.008   3.370
  104    H    LYS  16           H        LYS  16 -11.604   2.679   0.797
  105    HA   LYS  16           HA       LYS  16 -13.726   1.050   1.549
  106   1HB   LYS  16          1HB       LYS  16 -13.073   1.626  -0.810
  107   2HB   LYS  16          2HB       LYS  16 -11.775   0.446  -0.685
  108   1HG   LYS  16          1HG       LYS  16 -13.415  -1.326  -0.321
  109   2HG   LYS  16          2HG       LYS  16 -14.719  -0.148  -0.457
  110   1HD   LYS  16          1HD       LYS  16 -13.897   0.398  -2.738
  111   2HD   LYS  16          2HD       LYS  16 -12.767  -0.953  -2.592
  112   1HE   LYS  16          1HE       LYS  16 -15.752  -1.188  -2.282
  113   2HE   LYS  16          2HE       LYS  16 -14.880  -1.510  -3.772
  114   1HZ   LYS  16          1HZ       LYS  16 -13.910  -2.899  -1.420
  115   2HZ   LYS  16          2HZ       LYS  16 -15.438  -3.374  -1.967
  116   3HZ   LYS  16          3HZ       LYS  16 -14.104  -3.463  -3.004
  117    H    ILE  17           H        ILE  17 -10.272   0.361   1.464
  118    HA   ILE  17           HA       ILE  17 -10.413  -2.392   2.048
  119    HB   ILE  17           HB       ILE  17  -8.249  -0.366   2.638
  120   1HG1  ILE  17          1HG1      ILE  17  -8.441  -2.494   0.495
  121   2HG1  ILE  17          2HG1      ILE  17  -8.772  -0.783   0.244
  122   1HG2  ILE  17          1HG2      ILE  17  -8.481  -3.198   3.369
  123   2HG2  ILE  17          2HG2      ILE  17  -6.969  -2.757   2.576
  124   3HG2  ILE  17          3HG2      ILE  17  -7.467  -1.925   4.049
  125   1HD1  ILE  17          1HD1      ILE  17  -6.148  -1.463   1.407
  126   2HD1  ILE  17          2HD1      ILE  17  -6.417  -1.906  -0.280
  127   3HD1  ILE  17          3HD1      ILE  17  -6.587  -0.226   0.229
  128    H    LYS  18           H        LYS  18 -10.380   0.497   4.036
  129    HA   LYS  18           HA       LYS  18 -10.084  -0.761   6.546
  130   1HB   LYS  18          1HB       LYS  18  -9.743   1.692   6.024
  131   2HB   LYS  18          2HB       LYS  18 -11.492   1.850   5.987
  132   1HG   LYS  18          1HG       LYS  18 -11.672   1.266   8.294
  133   2HG   LYS  18          2HG       LYS  18  -9.958   0.854   8.373
  134   1HD   LYS  18          1HD       LYS  18 -10.362   3.043   9.363
  135   2HD   LYS  18          2HD       LYS  18  -9.378   3.190   7.906
  136   1HE   LYS  18          1HE       LYS  18 -11.086   4.926   7.985
  137   2HE   LYS  18          2HE       LYS  18 -11.357   3.833   6.629
  138   1HZ   LYS  18          1HZ       LYS  18 -12.725   2.942   8.956
  139   2HZ   LYS  18          2HZ       LYS  18 -13.171   4.529   8.572
  140   3HZ   LYS  18          3HZ       LYS  18 -13.344   3.300   7.423
  141    H    THR  19           H        THR  19 -12.954   0.359   4.777
  142    HA   THR  19           HA       THR  19 -14.811  -0.521   6.748
  143    HB   THR  19           HB       THR  19 -15.315   1.257   5.059
  144    HG1  THR  19           HG1      THR  19 -16.963  -0.988   5.480
  145   1HG2  THR  19          1HG2      THR  19 -14.691  -0.892   3.237
  146   2HG2  THR  19          2HG2      THR  19 -16.303  -0.246   2.924
  147   3HG2  THR  19          3HG2      THR  19 -14.905   0.829   2.911
  148    H    ARG  20           H        ARG  20 -13.272  -2.025   4.013
  149    HA   ARG  20           HA       ARG  20 -15.069  -4.170   3.666
  150   1HB   ARG  20          1HB       ARG  20 -13.491  -3.669   1.930
  151   2HB   ARG  20          2HB       ARG  20 -12.130  -3.890   3.026
  152   1HG   ARG  20          1HG       ARG  20 -12.464  -5.765   1.444
  153   2HG   ARG  20          2HG       ARG  20 -12.527  -6.250   3.140
  154   1HD   ARG  20          1HD       ARG  20 -14.967  -6.229   3.055
  155   2HD   ARG  20          2HD       ARG  20 -14.909  -5.740   1.362
  156    HE   ARG  20           HE       ARG  20 -13.438  -8.099   1.642
  157   1HH1  ARG  20          1HH1      ARG  20 -16.738  -7.004   1.879
  158   2HH1  ARG  20          2HH1      ARG  20 -17.412  -8.531   1.418
  159   1HH2  ARG  20          1HH2      ARG  20 -14.317 -10.111   1.035
  160   2HH2  ARG  20          2HH2      ARG  20 -16.037 -10.299   0.940
  161    H    PHE  21           H        PHE  21 -11.920  -4.077   5.332
  162    HA   PHE  21           HA       PHE  21 -12.559  -6.580   6.667
  163   1HB   PHE  21          1HB       PHE  21 -10.050  -4.902   6.694
  164   2HB   PHE  21          2HB       PHE  21 -10.237  -6.437   7.527
  165    HD1  PHE  21           HD1      PHE  21 -10.273  -4.872   4.167
  166    HD2  PHE  21           HD2      PHE  21  -9.843  -8.447   6.427
  167    HE1  PHE  21           HE1      PHE  21  -9.500  -6.053   2.151
  168    HE2  PHE  21           HE2      PHE  21  -9.052  -9.630   4.428
  169    HZ   PHE  21           HZ       PHE  21  -8.888  -8.435   2.279
  170    H    LEU  22           H        LEU  22 -14.203  -4.431   7.464
  171    HA   LEU  22           HA       LEU  22 -13.350  -3.054   9.736
  172   1HB   LEU  22          1HB       LEU  22 -16.054  -3.995   8.833
  173   2HB   LEU  22          2HB       LEU  22 -15.852  -3.168  10.363
  174    HG   LEU  22           HG       LEU  22 -15.108  -2.022   7.675
  175   1HD1  LEU  22          1HD1      LEU  22 -17.639  -2.323   8.816
  176   2HD1  LEU  22          2HD1      LEU  22 -17.188  -0.642   9.105
  177   3HD1  LEU  22          3HD1      LEU  22 -17.191  -1.284   7.463
  178   1HD2  LEU  22          1HD2      LEU  22 -14.272  -1.326  10.272
  179   2HD2  LEU  22          2HD2      LEU  22 -14.023  -0.429   8.774
  180   3HD2  LEU  22          3HD2      LEU  22 -15.442  -0.106   9.769
  181    H    ASP  23           H        ASP  23 -14.416  -6.346   9.332
  182    HA   ASP  23           HA       ASP  23 -14.724  -6.908  12.120
  183   1HB   ASP  23          1HB       ASP  23 -14.360  -8.801   9.792
  184   2HB   ASP  23          2HB       ASP  23 -14.875  -9.252  11.413
  185    H    HIS  24           H        HIS  24 -12.165  -7.276   9.728
  186    HA   HIS  24           HA       HIS  24 -10.345  -8.277  11.788
  187   1HB   HIS  24          1HB       HIS  24 -10.141  -8.302   8.774
  188   2HB   HIS  24          2HB       HIS  24  -8.954  -8.961   9.879
  189    HD1  HIS  24           HD1      HIS  24 -10.253 -10.798  11.655
  190    HD2  HIS  24           HD2      HIS  24 -11.696 -10.262   7.796
  191    HE1  HIS  24           HE1      HIS  24 -11.606 -12.857  11.152
  192    HE2  HIS  24           HE2      HIS  24 -12.398 -12.549   8.780
  193    HA   PRO  25           HA       PRO  25  -9.236  -3.755  11.266
  194   1HB   PRO  25          1HB       PRO  25  -8.204  -3.593  13.795
  195   2HB   PRO  25          2HB       PRO  25  -9.877  -3.226  13.379
  196   1HG   PRO  25          1HG       PRO  25  -8.718  -5.746  14.509
  197   2HG   PRO  25          2HG       PRO  25 -10.216  -4.905  14.954
  198   1HD   PRO  25          1HD       PRO  25 -10.281  -7.070  13.393
  199   2HD   PRO  25          2HD       PRO  25 -11.359  -5.693  13.083
  200    H    GLU  26           H        GLU  26  -7.432  -6.455  12.647
  201    HA   GLU  26           HA       GLU  26  -4.867  -5.424  12.615
  202   1HB   GLU  26          1HB       GLU  26  -4.103  -7.767  12.400
  203   2HB   GLU  26          2HB       GLU  26  -5.365  -7.576  13.608
  204   1HG   GLU  26          1HG       GLU  26  -7.018  -8.405  12.006
  205   2HG   GLU  26          2HG       GLU  26  -5.743  -8.612  10.807
  206    H    ILE  27           H        ILE  27  -6.839  -6.509   9.959
  207    HA   ILE  27           HA       ILE  27  -4.832  -6.868   8.014
  208    HB   ILE  27           HB       ILE  27  -7.632  -5.890   7.480
  209   1HG1  ILE  27          1HG1      ILE  27  -7.600  -7.864   9.012
  210   2HG1  ILE  27          2HG1      ILE  27  -8.378  -8.172   7.471
  211   1HG2  ILE  27          1HG2      ILE  27  -5.433  -6.645   5.820
  212   2HG2  ILE  27          2HG2      ILE  27  -6.759  -7.785   5.590
  213   3HG2  ILE  27          3HG2      ILE  27  -7.030  -6.059   5.354
  214   1HD1  ILE  27          1HD1      ILE  27  -5.520  -8.843   7.637
  215   2HD1  ILE  27          2HD1      ILE  27  -6.628  -9.826   8.597
  216   3HD1  ILE  27          3HD1      ILE  27  -6.853  -9.694   6.852
  217    H    TYR  28           H        TYR  28  -6.890  -4.057   8.747
  218    HA   TYR  28           HA       TYR  28  -5.959  -2.329   6.790
  219   1HB   TYR  28          1HB       TYR  28  -7.919  -1.931   8.262
  220   2HB   TYR  28          2HB       TYR  28  -6.812  -1.576   9.578
  221    HD1  TYR  28           HD1      TYR  28  -7.349  -0.531   6.041
  222    HD2  TYR  28           HD2      TYR  28  -6.456   0.658  10.020
  223    HE1  TYR  28           HE1      TYR  28  -7.292   1.822   5.316
  224    HE2  TYR  28           HE2      TYR  28  -6.397   3.013   9.313
  225    HH   TYR  28           HH       TYR  28  -7.694   4.169   6.654
  226    H    ARG  29           H        ARG  29  -4.810  -2.684  10.137
  227    HA   ARG  29           HA       ARG  29  -2.779  -0.789  10.064
  228   1HB   ARG  29          1HB       ARG  29  -3.163  -3.325  11.632
  229   2HB   ARG  29          2HB       ARG  29  -1.764  -2.296  11.877
  230   1HG   ARG  29          1HG       ARG  29  -3.563  -1.899  13.498
  231   2HG   ARG  29          2HG       ARG  29  -3.168  -0.463  12.560
  232   1HD   ARG  29          1HD       ARG  29  -5.112  -0.906  11.120
  233   2HD   ARG  29          2HD       ARG  29  -5.502  -2.319  12.099
  234    HE   ARG  29           HE       ARG  29  -6.555  -0.906  13.532
  235   1HH1  ARG  29          1HH1      ARG  29  -4.064   0.898  11.887
  236   2HH1  ARG  29          2HH1      ARG  29  -4.441   2.389  12.683
  237   1HH2  ARG  29          1HH2      ARG  29  -7.055   1.054  14.582
  238   2HH2  ARG  29          2HH2      ARG  29  -6.140   2.477  14.214
  239    H    SER  30           H        SER  30  -2.575  -4.288   9.457
  240    HA   SER  30           HA       SER  30   0.128  -4.507   8.946
  241   1HB   SER  30          1HB       SER  30  -1.339  -6.451   9.121
  242   2HB   SER  30          2HB       SER  30  -2.137  -6.008   7.613
  243    HG   SER  30           HG       SER  30  -0.665  -7.271   6.786
  244    H    PHE  31           H        PHE  31  -2.441  -3.946   6.533
  245    HA   PHE  31           HA       PHE  31  -0.915  -3.743   4.254
  246   1HB   PHE  31          1HB       PHE  31  -3.303  -3.716   4.097
  247   2HB   PHE  31          2HB       PHE  31  -3.412  -2.253   5.071
  248    HD1  PHE  31           HD1      PHE  31  -1.684  -3.354   1.941
  249    HD2  PHE  31           HD2      PHE  31  -3.934  -0.344   3.941
  250    HE1  PHE  31           HE1      PHE  31  -1.666  -1.987  -0.104
  251    HE2  PHE  31           HE2      PHE  31  -3.922   1.027   1.897
  252    HZ   PHE  31           HZ       PHE  31  -2.785   0.208  -0.128
  253    H    LEU  32           H        LEU  32  -1.790  -1.107   6.481
  254    HA   LEU  32           HA       LEU  32  -0.435   0.936   5.135
  255   1HB   LEU  32          1HB       LEU  32  -0.856   0.756   8.112
  256   2HB   LEU  32          2HB       LEU  32  -0.635   2.212   7.163
  257    HG   LEU  32           HG       LEU  32  -3.025   0.378   7.157
  258   1HD1  LEU  32          1HD1      LEU  32  -2.346   2.671   8.663
  259   2HD1  LEU  32          2HD1      LEU  32  -3.629   3.123   7.541
  260   3HD1  LEU  32          3HD1      LEU  32  -3.864   1.773   8.651
  261   1HD2  LEU  32          1HD2      LEU  32  -2.280   2.623   5.316
  262   2HD2  LEU  32          2HD2      LEU  32  -2.801   0.989   4.908
  263   3HD2  LEU  32          3HD2      LEU  32  -3.956   2.141   5.579
  264    H    GLU  33           H        GLU  33   0.648  -1.323   7.618
  265    HA   GLU  33           HA       GLU  33   3.209  -0.186   8.021
  266   1HB   GLU  33          1HB       GLU  33   2.259  -3.038   8.395
  267   2HB   GLU  33          2HB       GLU  33   3.790  -2.407   8.980
  268   1HG   GLU  33          1HG       GLU  33   1.076  -1.409   9.814
  269   2HG   GLU  33          2HG       GLU  33   2.069  -2.543  10.728
  270    H    ILE  34           H        ILE  34   1.908  -2.430   5.658
  271    HA   ILE  34           HA       ILE  34   4.320  -3.423   4.623
  272    HB   ILE  34           HB       ILE  34   1.689  -2.963   3.230
  273   1HG1  ILE  34          1HG1      ILE  34   2.907  -5.433   4.485
  274   2HG1  ILE  34          2HG1      ILE  34   1.603  -4.473   5.175
  275   1HG2  ILE  34          1HG2      ILE  34   4.270  -4.067   2.304
  276   2HG2  ILE  34          2HG2      ILE  34   2.823  -4.971   1.858
  277   3HG2  ILE  34          3HG2      ILE  34   2.982  -3.277   1.396
  278   1HD1  ILE  34          1HD1      ILE  34   0.307  -4.997   3.075
  279   2HD1  ILE  34          2HD1      ILE  34   1.556  -6.194   2.733
  280   3HD1  ILE  34          3HD1      ILE  34   0.581  -6.328   4.197
  281    H    LEU  35           H        LEU  35   2.268  -0.744   3.481
  282    HA   LEU  35           HA       LEU  35   4.032   0.171   1.481
  283   1HB   LEU  35          1HB       LEU  35   1.965   1.703   3.075
  284   2HB   LEU  35          2HB       LEU  35   2.736   2.279   1.604
  285    HG   LEU  35           HG       LEU  35   1.016  -0.201   1.730
  286   1HD1  LEU  35          1HD1      LEU  35   0.283   2.598   1.693
  287   2HD1  LEU  35          2HD1      LEU  35  -0.307   1.746   0.265
  288   3HD1  LEU  35          3HD1      LEU  35  -0.732   1.168   1.877
  289   1HD2  LEU  35          1HD2      LEU  35   2.824   0.688  -0.194
  290   2HD2  LEU  35          2HD2      LEU  35   1.564  -0.530  -0.402
  291   3HD2  LEU  35          3HD2      LEU  35   1.239   1.156  -0.810
  292    H    HIS  36           H        HIS  36   3.598   1.004   4.864
  293    HA   HIS  36           HA       HIS  36   5.357   3.146   5.086
  294   1HB   HIS  36          1HB       HIS  36   3.920   1.371   6.840
  295   2HB   HIS  36          2HB       HIS  36   5.527   1.656   7.485
  296    HD1  HIS  36           HD1      HIS  36   6.052   4.519   7.120
  297    HD2  HIS  36           HD2      HIS  36   2.238   3.118   7.978
  298    HE1  HIS  36           HE1      HIS  36   4.817   6.484   8.083
  299    HE2  HIS  36           HE2      HIS  36   2.478   5.642   8.493
  300    H    THR  37           H        THR  37   5.958  -0.323   5.456
  301    HA   THR  37           HA       THR  37   8.573  -0.362   6.268
  302    HB   THR  37           HB       THR  37   7.273  -2.214   4.259
  303    HG1  THR  37           HG1      THR  37   6.811  -1.826   6.844
  304   1HG2  THR  37          1HG2      THR  37   9.949  -2.087   4.885
  305   2HG2  THR  37          2HG2      THR  37   9.342  -3.308   6.002
  306   3HG2  THR  37          3HG2      THR  37   9.105  -3.506   4.265
  307    H    TYR  38           H        TYR  38   7.303   0.291   3.063
  308    HA   TYR  38           HA       TYR  38   9.608   0.079   1.528
  309   1HB   TYR  38          1HB       TYR  38   7.471   0.441   0.487
  310   2HB   TYR  38          2HB       TYR  38   7.261   1.969   1.324
  311    HD1  TYR  38           HD1      TYR  38   9.535   0.297  -1.115
  312    HD2  TYR  38           HD2      TYR  38   7.829   3.935   0.274
  313    HE1  TYR  38           HE1      TYR  38  10.577   1.495  -2.996
  314    HE2  TYR  38           HE2      TYR  38   8.867   5.146  -1.596
  315    HH   TYR  38           HH       TYR  38  11.140   4.541  -3.149
  316    H    GLN  39           H        GLN  39   8.267   2.926   3.136
  317    HA   GLN  39           HA       GLN  39  10.455   4.627   2.514
  318   1HB   GLN  39          1HB       GLN  39   8.288   4.910   4.591
  319   2HB   GLN  39          2HB       GLN  39   9.415   6.180   4.133
  320   1HG   GLN  39          1HG       GLN  39   8.539   5.865   1.761
  321   2HG   GLN  39          2HG       GLN  39   7.229   4.944   2.500
  322   2HE2  GLN  39          2HE2      GLN  39   8.295   7.278   4.619
  323   1HE2  GLN  39          1HE2      GLN  39   7.131   8.500   4.279
  324    H    LYS  40           H        LYS  40   9.670   2.590   5.261
  325    HA   LYS  40           HA       LYS  40  11.374   3.582   7.185
  326   1HB   LYS  40          1HB       LYS  40  10.676   0.696   6.628
  327   2HB   LYS  40          2HB       LYS  40  11.417   1.280   8.112
  328   1HG   LYS  40          1HG       LYS  40   8.703   2.065   7.072
  329   2HG   LYS  40          2HG       LYS  40   9.025   0.935   8.387
  330   1HD   LYS  40          1HD       LYS  40  10.087   2.735   9.668
  331   2HD   LYS  40          2HD       LYS  40   9.760   3.864   8.352
  332   1HE   LYS  40          1HE       LYS  40   7.352   3.474   8.637
  333   2HE   LYS  40          2HE       LYS  40   7.696   2.374   9.970
  334   1HZ   LYS  40          1HZ       LYS  40   8.730   4.230  11.156
  335   2HZ   LYS  40          2HZ       LYS  40   8.325   5.276   9.890
  336   3HZ   LYS  40          3HZ       LYS  40   7.105   4.542  10.805
  337    H    GLU  41           H        GLU  41  12.145   1.172   4.676
  338    HA   GLU  41           HA       GLU  41  14.818   0.795   5.482
  339   1HB   GLU  41          1HB       GLU  41  13.468   0.333   2.827
  340   2HB   GLU  41          2HB       GLU  41  15.127  -0.141   3.169
  341   1HG   GLU  41          1HG       GLU  41  14.308  -1.551   5.019
  342   2HG   GLU  41          2HG       GLU  41  12.657  -1.125   4.576
  343    H    GLN  42           H        GLN  42  13.381   2.948   3.066
  344    HA   GLN  42           HA       GLN  42  15.819   3.985   2.089
  345   1HB   GLN  42          1HB       GLN  42  13.705   4.179   0.863
  346   2HB   GLN  42          2HB       GLN  42  13.072   5.244   2.109
  347   1HG   GLN  42          1HG       GLN  42  14.770   6.901   1.577
  348   2HG   GLN  42          2HG       GLN  42  15.445   5.829   0.352
  349   2HE2  GLN  42          2HE2      GLN  42  12.197   5.355   0.279
  350   1HE2  GLN  42          1HE2      GLN  42  11.768   6.484  -0.955
  351    H    LEU  43           H        LEU  43  13.781   4.867   4.801
  352    HA   LEU  43           HA       LEU  43  15.104   7.354   5.317
  353   1HB   LEU  43          1HB       LEU  43  13.202   5.708   6.966
  354   2HB   LEU  43          2HB       LEU  43  13.817   7.272   7.463
  355    HG   LEU  43           HG       LEU  43  12.189   6.792   4.968
  356   1HD1  LEU  43          1HD1      LEU  43  11.395   7.044   7.716
  357   2HD1  LEU  43          2HD1      LEU  43  10.799   8.413   6.778
  358   3HD1  LEU  43          3HD1      LEU  43  10.403   6.767   6.285
  359   1HD2  LEU  43          1HD2      LEU  43  13.449   9.194   6.212
  360   2HD2  LEU  43          2HD2      LEU  43  13.372   8.716   4.516
  361   3HD2  LEU  43          3HD2      LEU  43  11.941   9.367   5.315
  362    H    HIS  44           H        HIS  44  17.082   5.450   5.129
  363    HA   HIS  44           HA       HIS  44  18.001   5.233   7.920
  364   1HB   HIS  44          1HB       HIS  44  18.427   3.326   5.619
  365   2HB   HIS  44          2HB       HIS  44  19.400   3.279   7.084
  366    HD1  HIS  44           HD1      HIS  44  18.013   0.774   6.676
  367    HD2  HIS  44           HD2      HIS  44  16.073   3.987   8.456
  368    HE1  HIS  44           HE1      HIS  44  16.112  -0.228   7.981
  369    HE2  HIS  44           HE2      HIS  44  15.017   1.726   9.133
  370    H    THR  45           H        THR  45  18.375   7.000   5.285
  371    HA   THR  45           HA       THR  45  19.984   8.394   4.494
  372    HB   THR  45           HB       THR  45  21.618   7.615   6.865
  373    HG1  THR  45           HG1      THR  45  19.260   8.782   6.859
  374   1HG2  THR  45          1HG2      THR  45  22.808   8.859   5.107
  375   2HG2  THR  45          2HG2      THR  45  21.597  10.136   5.221
  376   3HG2  THR  45          3HG2      THR  45  22.651   9.796   6.594
  377    H    LYS  46           H        LYS  46  21.645   8.294   3.053
  378    HA   LYS  46           HA       LYS  46  23.209   7.416   1.673
  379   1HB   LYS  46          1HB       LYS  46  23.820   5.721   4.078
  380   2HB   LYS  46          2HB       LYS  46  24.868   5.889   2.677
  381   1HG   LYS  46          1HG       LYS  46  24.117   8.012   4.676
  382   2HG   LYS  46          2HG       LYS  46  25.699   7.266   4.450
  383   1HD   LYS  46          1HD       LYS  46  25.807   8.236   2.189
  384   2HD   LYS  46          2HD       LYS  46  24.248   9.015   2.470
  385   1HE   LYS  46          1HE       LYS  46  26.771   9.483   4.054
  386   2HE   LYS  46          2HE       LYS  46  26.101  10.568   2.836
  387   1HZ   LYS  46          1HZ       LYS  46  24.009  10.432   4.362
  388   2HZ   LYS  46          2HZ       LYS  46  25.134   9.996   5.548
  389   3HZ   LYS  46          3HZ       LYS  46  25.278  11.479   4.749
  390    H    GLY  47           H        GLY  47  23.302   5.848   0.096
  391   1HA   GLY  47          1HA       GLY  47  21.152   4.169  -0.316
  392   2HA   GLY  47          2HA       GLY  47  22.352   3.187   0.506
  393    H    ARG  48           H        ARG  48  23.371   1.938  -0.879
  394    HA   ARG  48           HA       ARG  48  24.696   3.066  -3.181
  395   1HB   ARG  48          1HB       ARG  48  24.575   0.207  -2.200
  396   2HB   ARG  48          2HB       ARG  48  25.642   0.817  -3.456
  397   1HG   ARG  48          1HG       ARG  48  26.743   2.263  -1.827
  398   2HG   ARG  48          2HG       ARG  48  25.669   1.653  -0.566
  399   1HD   ARG  48          1HD       ARG  48  26.542  -0.608  -0.924
  400   2HD   ARG  48          2HD       ARG  48  27.618   0.008  -2.177
  401    HE   ARG  48           HE       ARG  48  28.111   0.020   0.589
  402   1HH1  ARG  48          1HH1      ARG  48  28.443   2.075  -2.210
  403   2HH1  ARG  48          2HH1      ARG  48  29.792   2.949  -1.565
  404   1HH2  ARG  48          1HH2      ARG  48  29.888   1.166   1.440
  405   2HH2  ARG  48          2HH2      ARG  48  30.612   2.434   0.509
  406    HA   PRO  49           HA       PRO  49  21.716   2.257  -6.342
  407   1HB   PRO  49          1HB       PRO  49  23.441   1.127  -8.227
  408   2HB   PRO  49          2HB       PRO  49  23.098   2.849  -8.046
  409   1HG   PRO  49          1HG       PRO  49  25.401   1.254  -7.016
  410   2HG   PRO  49          2HG       PRO  49  25.374   2.911  -7.649
  411   1HD   PRO  49          1HD       PRO  49  25.545   2.442  -5.026
  412   2HD   PRO  49          2HD       PRO  49  24.566   3.789  -5.650
  413    H    PHE  50           H        PHE  50  20.423   0.599  -6.997
  414    HA   PHE  50           HA       PHE  50  19.588  -1.511  -7.214
  415   1HB   PHE  50          1HB       PHE  50  21.659  -2.020  -8.431
  416   2HB   PHE  50          2HB       PHE  50  22.476  -2.357  -6.911
  417    HD1  PHE  50           HD1      PHE  50  19.222  -3.396  -8.432
  418    HD2  PHE  50           HD2      PHE  50  22.888  -4.588  -6.629
  419    HE1  PHE  50           HE1      PHE  50  18.530  -5.751  -8.590
  420    HE2  PHE  50           HE2      PHE  50  22.204  -6.946  -6.784
  421    HZ   PHE  50           HZ       PHE  50  20.021  -7.531  -7.764
  422    H    ARG  51           H        ARG  51  18.970  -3.327  -5.896
  423    HA   ARG  51           HA       ARG  51  18.490  -4.412  -3.970
  424   1HB   ARG  51          1HB       ARG  51  20.826  -4.790  -3.614
  425   2HB   ARG  51          2HB       ARG  51  21.068  -3.140  -3.084
  426   1HG   ARG  51          1HG       ARG  51  19.814  -3.581  -1.074
  427   2HG   ARG  51          2HG       ARG  51  19.444  -5.210  -1.650
  428   1HD   ARG  51          1HD       ARG  51  22.247  -4.220  -1.312
  429   2HD   ARG  51          2HD       ARG  51  21.362  -4.993   0.005
  430    HE   ARG  51           HE       ARG  51  22.667  -6.285  -2.128
  431   1HH1  ARG  51          1HH1      ARG  51  19.707  -6.451  -0.292
  432   2HH1  ARG  51          2HH1      ARG  51  19.497  -8.152  -0.547
  433   1HH2  ARG  51          1HH2      ARG  51  22.393  -8.519  -2.468
  434   2HH2  ARG  51          2HH2      ARG  51  21.020  -9.325  -1.787
  435    H    GLY  52           H        GLY  52  16.650  -3.561  -3.320
  436   1HA   GLY  52          1HA       GLY  52  16.355  -0.887  -2.367
  437   2HA   GLY  52          2HA       GLY  52  16.352  -2.055  -1.046
  438    H    MET  53           H        MET  53  14.382  -2.192  -0.392
  439    HA   MET  53           HA       MET  53  12.425  -3.598  -1.760
  440   1HB   MET  53          1HB       MET  53  12.518  -3.412   0.638
  441   2HB   MET  53          2HB       MET  53  12.215  -1.686   0.547
  442   1HG   MET  53          1HG       MET  53   9.994  -2.162  -0.436
  443   2HG   MET  53          2HG       MET  53  10.299  -3.883  -0.203
  444   1HE   MET  53          1HE       MET  53   7.838  -2.686   0.638
  445   2HE   MET  53          2HE       MET  53   7.952  -4.148   1.618
  446   3HE   MET  53          3HE       MET  53   7.563  -2.605   2.378
  447    H    SER  54           H        SER  54  10.487  -3.016  -2.731
  448    HA   SER  54           HA       SER  54   9.682  -0.311  -3.098
  449   1HB   SER  54          1HB       SER  54  10.042  -0.192  -5.544
  450   2HB   SER  54          2HB       SER  54  11.565  -0.295  -4.662
  451    HG   SER  54           HG       SER  54  11.475  -1.710  -6.480
  452    H    GLU  55           H        GLU  55   8.560  -1.029  -5.810
  453    HA   GLU  55           HA       GLU  55   6.056  -1.933  -4.985
  454   1HB   GLU  55          1HB       GLU  55   7.275  -2.038  -7.750
  455   2HB   GLU  55          2HB       GLU  55   5.568  -2.252  -7.391
  456   1HG   GLU  55          1HG       GLU  55   5.695  -0.051  -8.075
  457   2HG   GLU  55          2HG       GLU  55   5.712   0.075  -6.317
  458    H    GLU  56           H        GLU  56   8.885  -3.685  -6.002
  459    HA   GLU  56           HA       GLU  56   7.759  -6.141  -6.670
  460   1HB   GLU  56          1HB       GLU  56   9.986  -7.094  -6.092
  461   2HB   GLU  56          2HB       GLU  56  10.063  -5.695  -7.155
  462   1HG   GLU  56          1HG       GLU  56  10.643  -4.280  -5.248
  463   2HG   GLU  56          2HG       GLU  56  10.571  -5.685  -4.187
  464    H    GLU  57           H        GLU  57   8.983  -5.078  -3.486
  465    HA   GLU  57           HA       GLU  57   8.036  -7.497  -2.237
  466   1HB   GLU  57          1HB       GLU  57  10.079  -6.536  -1.410
  467   2HB   GLU  57          2HB       GLU  57   9.284  -5.001  -1.093
  468   1HG   GLU  57          1HG       GLU  57   8.020  -5.926   0.687
  469   2HG   GLU  57          2HG       GLU  57   8.519  -7.567   0.275
  470    H    VAL  58           H        VAL  58   7.110  -4.069  -2.166
  471    HA   VAL  58           HA       VAL  58   5.142  -4.169  -0.232
  472    HB   VAL  58           HB       VAL  58   5.136  -2.508  -2.757
  473   1HG1  VAL  58          1HG1      VAL  58   3.585  -2.188  -0.191
  474   2HG1  VAL  58          2HG1      VAL  58   3.680  -0.978  -1.470
  475   3HG1  VAL  58          3HG1      VAL  58   2.926  -2.540  -1.788
  476   1HG2  VAL  58          1HG2      VAL  58   6.985  -2.477  -0.757
  477   2HG2  VAL  58          2HG2      VAL  58   6.586  -1.098  -1.781
  478   3HG2  VAL  58          3HG2      VAL  58   5.832  -1.267  -0.194
  479    H    PHE  59           H        PHE  59   4.836  -4.862  -3.703
  480    HA   PHE  59           HA       PHE  59   2.064  -5.325  -3.711
  481   1HB   PHE  59          1HB       PHE  59   3.312  -4.992  -5.780
  482   2HB   PHE  59          2HB       PHE  59   4.218  -6.474  -5.497
  483    HD1  PHE  59           HD1      PHE  59   0.564  -5.806  -5.178
  484    HD2  PHE  59           HD2      PHE  59   3.658  -7.890  -7.228
  485    HE1  PHE  59           HE1      PHE  59  -1.127  -7.082  -6.428
  486    HE2  PHE  59           HE2      PHE  59   1.971  -9.167  -8.483
  487    HZ   PHE  59           HZ       PHE  59  -0.424  -8.764  -8.083
  488    H    THR  60           H        THR  60   4.789  -7.370  -2.923
  489    HA   THR  60           HA       THR  60   3.444  -9.847  -2.937
  490    HB   THR  60           HB       THR  60   5.892  -9.005  -1.378
  491    HG1  THR  60           HG1      THR  60   5.662  -9.113  -3.902
  492   1HG2  THR  60          1HG2      THR  60   4.426 -11.276  -0.962
  493   2HG2  THR  60          2HG2      THR  60   5.607 -11.814  -2.156
  494   3HG2  THR  60          3HG2      THR  60   6.150 -11.108  -0.634
  495    H    GLU  61           H        GLU  61   4.378  -7.807  -0.153
  496    HA   GLU  61           HA       GLU  61   3.117  -9.322   1.808
  497   1HB   GLU  61          1HB       GLU  61   3.685  -6.357   1.760
  498   2HB   GLU  61          2HB       GLU  61   3.224  -7.264   3.194
  499   1HG   GLU  61          1HG       GLU  61   5.691  -7.780   1.551
  500   2HG   GLU  61          2HG       GLU  61   5.645  -6.835   3.038
  501    H    VAL  62           H        VAL  62   1.867  -6.550  -0.046
  502    HA   VAL  62           HA       VAL  62  -0.613  -6.395   1.296
  503    HB   VAL  62           HB       VAL  62   0.042  -5.586  -1.546
  504   1HG1  VAL  62          1HG1      VAL  62  -2.435  -5.592  -0.072
  505   2HG1  VAL  62          2HG1      VAL  62  -1.970  -3.949  -0.514
  506   3HG1  VAL  62          3HG1      VAL  62  -2.135  -5.185  -1.761
  507   1HG2  VAL  62          1HG2      VAL  62   0.197  -4.125   1.078
  508   2HG2  VAL  62          2HG2      VAL  62   1.472  -4.372  -0.116
  509   3HG2  VAL  62          3HG2      VAL  62   0.128  -3.288  -0.474
  510    H    ALA  63           H        ALA  63   0.427  -8.152  -1.603
  511    HA   ALA  63           HA       ALA  63  -2.089  -9.180  -2.331
  512   1HB   ALA  63          1HB       ALA  63  -0.662 -11.014  -3.424
  513   2HB   ALA  63          2HB       ALA  63   0.724 -10.088  -2.849
  514   3HB   ALA  63          3HB       ALA  63  -0.427  -9.352  -3.965
  515    H    ASN  64           H        ASN  64   0.434 -10.381  -0.173
  516    HA   ASN  64           HA       ASN  64  -0.664 -12.888   0.414
  517   1HB   ASN  64          1HB       ASN  64   1.127 -11.025   1.971
  518   2HB   ASN  64          2HB       ASN  64   0.627 -12.588   2.616
  519   2HD2  ASN  64          2HD2      ASN  64   3.108 -11.113   1.206
  520   1HD2  ASN  64          1HD2      ASN  64   3.795 -12.424   0.314
  521    H    LEU  65           H        LEU  65  -1.193  -9.712   1.843
  522    HA   LEU  65           HA       LEU  65  -2.886 -10.490   3.955
  523   1HB   LEU  65          1HB       LEU  65  -2.111  -8.034   2.568
  524   2HB   LEU  65          2HB       LEU  65  -3.746  -7.994   3.189
  525    HG   LEU  65           HG       LEU  65  -1.298  -8.575   4.852
  526   1HD1  LEU  65          1HD1      LEU  65  -2.300  -6.142   3.806
  527   2HD1  LEU  65          2HD1      LEU  65  -2.623  -6.161   5.542
  528   3HD1  LEU  65          3HD1      LEU  65  -0.976  -6.383   4.948
  529   1HD2  LEU  65          1HD2      LEU  65  -4.213  -8.575   5.352
  530   2HD2  LEU  65          2HD2      LEU  65  -2.927  -9.495   6.137
  531   3HD2  LEU  65          3HD2      LEU  65  -3.202  -7.809   6.579
  532    H    PHE  66           H        PHE  66  -3.674  -8.972   0.870
  533    HA   PHE  66           HA       PHE  66  -6.468  -9.503   1.045
  534   1HB   PHE  66          1HB       PHE  66  -4.730  -8.593  -1.252
  535   2HB   PHE  66          2HB       PHE  66  -6.486  -8.666  -1.310
  536    HD1  PHE  66           HD1      PHE  66  -5.419  -7.709   1.940
  537    HD2  PHE  66           HD2      PHE  66  -5.996  -6.238  -2.017
  538    HE1  PHE  66           HE1      PHE  66  -5.533  -5.412   2.813
  539    HE2  PHE  66           HE2      PHE  66  -6.115  -3.938  -1.144
  540    HZ   PHE  66           HZ       PHE  66  -5.883  -3.524   1.272
  541    H    ARG  67           H        ARG  67  -5.027 -11.951   1.288
  542    HA   ARG  67           HA       ARG  67  -4.878 -13.392  -1.115
  543   1HB   ARG  67          1HB       ARG  67  -3.806 -14.186   0.919
  544   2HB   ARG  67          2HB       ARG  67  -5.368 -14.359   1.708
  545   1HG   ARG  67          1HG       ARG  67  -5.983 -16.127   0.167
  546   2HG   ARG  67          2HG       ARG  67  -4.459 -15.924  -0.700
  547   1HD   ARG  67          1HD       ARG  67  -4.382 -17.826   0.844
  548   2HD   ARG  67          2HD       ARG  67  -3.219 -16.578   1.284
  549    HE   ARG  67           HE       ARG  67  -4.266 -16.457   3.295
  550   1HH1  ARG  67          1HH1      ARG  67  -6.585 -17.589   0.950
  551   2HH1  ARG  67          2HH1      ARG  67  -7.869 -17.736   2.103
  552   1HH2  ARG  67          1HH2      ARG  67  -5.950 -16.648   4.814
  553   2HH2  ARG  67          2HH2      ARG  67  -7.509 -17.202   4.298
  554    H    GLY  68           H        GLY  68  -6.376 -14.267  -2.388
  555   1HA   GLY  68          1HA       GLY  68  -8.976 -15.028  -1.379
  556   2HA   GLY  68          2HA       GLY  68  -8.403 -15.204  -3.031
  557    H    GLN  69           H        GLN  69  -8.559 -12.271  -1.043
  558    HA   GLN  69           HA       GLN  69 -10.831 -11.260  -2.520
  559   1HB   GLN  69          1HB       GLN  69  -9.125  -9.997  -0.369
  560   2HB   GLN  69          2HB       GLN  69 -10.576  -9.275  -1.051
  561   1HG   GLN  69          1HG       GLN  69 -11.905 -11.139  -0.224
  562   2HG   GLN  69          2HG       GLN  69 -10.453 -11.888   0.436
  563   2HE2  GLN  69          2HE2      GLN  69 -10.322 -11.661   2.536
  564   1HE2  GLN  69          1HE2      GLN  69 -10.819 -10.284   3.453
  565    H    GLU  70           H        GLU  70  -9.175 -11.642  -4.449
  566    HA   GLU  70           HA       GLU  70  -7.198  -9.716  -4.971
  567   1HB   GLU  70          1HB       GLU  70  -8.848 -11.343  -6.909
  568   2HB   GLU  70          2HB       GLU  70  -7.380 -10.463  -7.315
  569   1HG   GLU  70          1HG       GLU  70  -6.072 -11.862  -5.881
  570   2HG   GLU  70          2HG       GLU  70  -7.521 -12.657  -5.272
  571    H    ASP  71           H        ASP  71 -10.456  -9.208  -4.649
  572    HA   ASP  71           HA       ASP  71 -11.095  -7.524  -6.799
  573   1HB   ASP  71          1HB       ASP  71 -12.797  -8.410  -5.303
  574   2HB   ASP  71          2HB       ASP  71 -12.128  -7.479  -3.971
  575    H    LEU  72           H        LEU  72 -10.023  -6.677  -3.518
  576    HA   LEU  72           HA       LEU  72  -9.689  -3.908  -4.075
  577   1HB   LEU  72          1HB       LEU  72  -8.441  -5.601  -1.902
  578   2HB   LEU  72          2HB       LEU  72  -8.529  -3.849  -1.916
  579    HG   LEU  72           HG       LEU  72 -10.962  -5.628  -1.891
  580   1HD1  LEU  72          1HD1      LEU  72  -9.119  -5.217   0.193
  581   2HD1  LEU  72          2HD1      LEU  72 -10.527  -4.221   0.563
  582   3HD1  LEU  72          3HD1      LEU  72 -10.718  -5.954   0.288
  583   1HD2  LEU  72          1HD2      LEU  72 -11.005  -3.185  -2.725
  584   2HD2  LEU  72          2HD2      LEU  72 -12.202  -3.693  -1.532
  585   3HD2  LEU  72          3HD2      LEU  72 -10.791  -2.762  -1.025
  586    H    LEU  73           H        LEU  73  -7.544  -6.685  -3.945
  587    HA   LEU  73           HA       LEU  73  -5.075  -5.532  -4.251
  588   1HB   LEU  73          1HB       LEU  73  -5.687  -7.925  -3.861
  589   2HB   LEU  73          2HB       LEU  73  -6.017  -8.051  -5.576
  590    HG   LEU  73           HG       LEU  73  -3.804  -8.060  -6.143
  591   1HD1  LEU  73          1HD1      LEU  73  -3.397  -6.357  -3.705
  592   2HD1  LEU  73          2HD1      LEU  73  -2.036  -7.187  -4.463
  593   3HD1  LEU  73          3HD1      LEU  73  -2.975  -6.009  -5.382
  594   1HD2  LEU  73          1HD2      LEU  73  -3.960  -9.041  -3.321
  595   2HD2  LEU  73          2HD2      LEU  73  -4.198  -9.977  -4.797
  596   3HD2  LEU  73          3HD2      LEU  73  -2.591  -9.361  -4.395
  597    H    SER  74           H        SER  74  -7.516  -6.242  -6.696
  598    HA   SER  74           HA       SER  74  -6.023  -5.813  -9.002
  599   1HB   SER  74          1HB       SER  74  -8.322  -6.706  -9.021
  600   2HB   SER  74          2HB       SER  74  -8.937  -5.129  -8.526
  601    HG   SER  74           HG       SER  74  -7.333  -5.268 -10.811
  602    H    GLU  75           H        GLU  75  -7.739  -3.517  -6.933
  603    HA   GLU  75           HA       GLU  75  -7.271  -1.218  -8.499
  604   1HB   GLU  75          1HB       GLU  75  -7.664  -1.432  -5.507
  605   2HB   GLU  75          2HB       GLU  75  -7.822   0.037  -6.461
  606   1HG   GLU  75          1HG       GLU  75  -9.695  -0.962  -7.680
  607   2HG   GLU  75          2HG       GLU  75  -9.540  -2.424  -6.708
  608    H    PHE  76           H        PHE  76  -5.506  -2.655  -5.781
  609    HA   PHE  76           HA       PHE  76  -3.517  -0.712  -5.492
  610   1HB   PHE  76          1HB       PHE  76  -3.871  -2.534  -3.883
  611   2HB   PHE  76          2HB       PHE  76  -3.315  -3.704  -5.070
  612    HD1  PHE  76           HD1      PHE  76  -1.877  -0.383  -4.189
  613    HD2  PHE  76           HD2      PHE  76  -1.403  -4.612  -4.139
  614    HE1  PHE  76           HE1      PHE  76   0.421  -0.112  -3.355
  615    HE2  PHE  76           HE2      PHE  76   0.896  -4.350  -3.308
  616    HZ   PHE  76           HZ       PHE  76   1.811  -2.095  -2.913
  617    H    GLY  77           H        GLY  77  -3.645  -3.581  -7.549
  618   1HA   GLY  77          1HA       GLY  77  -2.433  -4.214  -9.384
  619   2HA   GLY  77          2HA       GLY  77  -1.064  -3.409  -8.632
  620    H    GLN  78           H        GLN  78  -3.999  -1.688  -9.441
  621    HA   GLN  78           HA       GLN  78  -3.524  -0.865 -12.020
  622   1HB   GLN  78          1HB       GLN  78  -4.686   0.776  -9.762
  623   2HB   GLN  78          2HB       GLN  78  -4.828   1.169 -11.470
  624   1HG   GLN  78          1HG       GLN  78  -5.910  -1.312 -10.153
  625   2HG   GLN  78          2HG       GLN  78  -6.849   0.118 -10.579
  626   2HE2  GLN  78          2HE2      GLN  78  -6.150  -2.909 -11.522
  627   1HE2  GLN  78          1HE2      GLN  78  -6.411  -2.772 -13.224
  628    H    PHE  79           H        PHE  79  -2.297   0.636  -9.038
  629    HA   PHE  79           HA       PHE  79  -0.863   2.684 -10.405
  630   1HB   PHE  79          1HB       PHE  79  -0.604   1.628  -7.581
  631   2HB   PHE  79          2HB       PHE  79   0.253   3.037  -8.192
  632    HD1  PHE  79           HD1      PHE  79  -3.266   1.757  -8.079
  633    HD2  PHE  79           HD2      PHE  79  -0.627   5.071  -7.660
  634    HE1  PHE  79           HE1      PHE  79  -5.166   3.187  -7.455
  635    HE2  PHE  79           HE2      PHE  79  -2.523   6.505  -7.031
  636    HZ   PHE  79           HZ       PHE  79  -4.796   5.564  -6.930
  637    H    LEU  80           H        LEU  80   0.021  -0.433  -8.998
  638    HA   LEU  80           HA       LEU  80   2.791  -0.275  -9.453
  639   1HB   LEU  80          1HB       LEU  80   1.107  -2.776  -9.415
  640   2HB   LEU  80          2HB       LEU  80   2.823  -2.655  -9.071
  641    HG   LEU  80           HG       LEU  80   0.600  -1.498  -7.385
  642   1HD1  LEU  80          1HD1      LEU  80   1.850  -4.093  -7.473
  643   2HD1  LEU  80          2HD1      LEU  80   2.119  -3.308  -5.918
  644   3HD1  LEU  80          3HD1      LEU  80   0.477  -3.535  -6.517
  645   1HD2  LEU  80          1HD2      LEU  80   3.133  -0.522  -7.580
  646   2HD2  LEU  80          2HD2      LEU  80   2.114  -0.408  -6.144
  647   3HD2  LEU  80          3HD2      LEU  80   3.305  -1.702  -6.279
  648    HA   PRO  81           HA       PRO  81   3.135  -0.754 -13.843
  649   1HB   PRO  81          1HB       PRO  81   5.584  -2.002 -13.941
  650   2HB   PRO  81          2HB       PRO  81   5.367  -0.267 -13.703
  651   1HG   PRO  81          1HG       PRO  81   5.883  -2.410 -11.685
  652   2HG   PRO  81          2HG       PRO  81   6.566  -0.777 -11.787
  653   1HD   PRO  81          1HD       PRO  81   4.587  -1.388 -10.070
  654   2HD   PRO  81          2HD       PRO  81   4.691   0.202 -10.854
  655    H    GLU  82           H        GLU  82   4.386  -2.794 -15.222
  656    HA   GLU  82           HA       GLU  82   4.024  -4.859 -16.094
  657   1HB   GLU  82          1HB       GLU  82   5.001  -5.524 -13.885
  658   2HB   GLU  82          2HB       GLU  82   3.367  -5.659 -13.253
  659   1HG   GLU  82          1HG       GLU  82   4.183  -7.838 -13.826
  660   2HG   GLU  82          2HG       GLU  82   2.892  -7.392 -14.942
  661    H    ALA  83           H        ALA  83   2.026  -3.328 -16.695
  662    HA   ALA  83           HA       ALA  83  -0.526  -4.002 -15.694
  663   1HB   ALA  83          1HB       ALA  83   0.548  -2.192 -17.573
  664   2HB   ALA  83          2HB       ALA  83  -1.088  -2.238 -16.914
  665   3HB   ALA  83          3HB       ALA  83  -0.710  -3.110 -18.399
  666    H    LYS  84           H        LYS  84  -1.427  -4.283 -18.698
  667    HA   LYS  84           HA       LYS  84  -2.176  -6.945 -18.597
  668   1HB   LYS  84          1HB       LYS  84  -2.808  -6.753 -20.915
  669   2HB   LYS  84          2HB       LYS  84  -3.194  -5.250 -20.093
  670   1HG   LYS  84          1HG       LYS  84  -0.717  -5.665 -21.751
  671   2HG   LYS  84          2HG       LYS  84  -2.222  -4.987 -22.373
  672   1HD   LYS  84          1HD       LYS  84  -2.070  -3.174 -20.719
  673   2HD   LYS  84          2HD       LYS  84  -0.547  -3.848 -20.135
  674   1HE   LYS  84          1HE       LYS  84   0.458  -3.504 -22.333
  675   2HE   LYS  84          2HE       LYS  84  -1.068  -2.857 -22.937
  676   1HZ   LYS  84          1HZ       LYS  84   0.208  -1.626 -20.589
  677   2HZ   LYS  84          2HZ       LYS  84   0.777  -1.253 -22.138
  678   3HZ   LYS  84          3HZ       LYS  84  -0.833  -0.933 -21.728
  679    H    ARG  85           H        ARG  85   0.734  -5.503 -19.950
  680    HA   ARG  85           HA       ARG  85   1.711  -7.647 -21.418
  681   1HB   ARG  85          1HB       ARG  85   2.738  -5.410 -21.421
  682   2HB   ARG  85          2HB       ARG  85   3.297  -5.664 -19.773
  683   1HG   ARG  85          1HG       ARG  85   4.670  -7.553 -20.556
  684   2HG   ARG  85          2HG       ARG  85   4.149  -7.218 -22.207
  685   1HD   ARG  85          1HD       ARG  85   6.348  -6.254 -21.752
  686   2HD   ARG  85          2HD       ARG  85   5.153  -5.002 -22.091
  687    HE   ARG  85           HE       ARG  85   5.242  -5.362 -19.330
  688   1HH1  ARG  85          1HH1      ARG  85   7.338  -4.260 -21.890
  689   2HH1  ARG  85          2HH1      ARG  85   8.218  -3.170 -20.872
  690   1HH2  ARG  85          1HH2      ARG  85   6.397  -3.930 -17.988
  691   2HH2  ARG  85          2HH2      ARG  85   7.686  -2.984 -18.655
  692    H1   ASN   1           H1       ASN   1   4.165   7.110  -5.929
  693    H2   ASN   1           H2       ASN   1   4.500   6.597  -7.505
  694    H3   ASN   1           H3       ASN   1   3.015   7.326  -7.151
  695    HA   ASN   1           HA       ASN   1   2.098   5.438  -6.531
  696   1HB   ASN   1          1HB       ASN   1   3.280   3.370  -7.266
  697   2HB   ASN   1          2HB       ASN   1   3.248   4.631  -8.490
  698   2HD2  ASN   1          2HD2      ASN   1   5.420   5.716  -6.315
  699   1HD2  ASN   1          1HD2      ASN   1   6.865   5.046  -6.975
  700    H    ILE   2           H        ILE   2   1.759   4.061  -4.853
  701    HA   ILE   2           HA       ILE   2   1.985   3.025  -2.855
  702    HB   ILE   2           HB       ILE   2   4.913   3.561  -3.249
  703   1HG1  ILE   2          1HG1      ILE   2   3.999   2.018  -4.889
  704   2HG1  ILE   2          2HG1      ILE   2   5.017   1.143  -3.752
  705   1HG2  ILE   2          1HG2      ILE   2   3.505   1.939  -1.134
  706   2HG2  ILE   2          2HG2      ILE   2   5.240   1.865  -1.449
  707   3HG2  ILE   2          3HG2      ILE   2   4.508   3.371  -0.888
  708   1HD1  ILE   2          1HD1      ILE   2   2.365   1.095  -2.760
  709   2HD1  ILE   2          2HD1      ILE   2   2.327   0.647  -4.466
  710   3HD1  ILE   2          3HD1      ILE   2   3.354  -0.245  -3.342
  711    H    GLN   3           H        GLN   3   3.981   5.961  -3.146
  712    HA   GLN   3           HA       GLN   3   3.809   6.684  -0.423
  713   1HB   GLN   3          1HB       GLN   3   4.561   8.908  -1.182
  714   2HB   GLN   3          2HB       GLN   3   5.536   7.615  -1.862
  715   1HG   GLN   3          1HG       GLN   3   5.234   8.993  -3.671
  716   2HG   GLN   3          2HG       GLN   3   3.945   7.815  -3.892
  717   2HE2  GLN   3          2HE2      GLN   3   3.266   9.861  -1.317
  718   1HE2  GLN   3          1HE2      GLN   3   2.228  10.969  -2.140
  719    H    MET   4           H        MET   4   1.797   7.227  -3.216
  720    HA   MET   4           HA       MET   4   0.130   9.240  -2.185
  721   1HB   MET   4          1HB       MET   4   0.232   8.612  -4.572
  722   2HB   MET   4          2HB       MET   4  -0.534   7.075  -4.193
  723   1HG   MET   4          1HG       MET   4  -2.528   8.270  -3.424
  724   2HG   MET   4          2HG       MET   4  -1.760   9.801  -3.837
  725   1HE   MET   4          1HE       MET   4  -0.841  10.326  -6.123
  726   2HE   MET   4          2HE       MET   4  -0.330   8.800  -6.845
  727   3HE   MET   4          3HE       MET   4  -1.556   9.788  -7.642
  728    H    LEU   5           H        LEU   5  -0.240   5.698  -2.230
  729    HA   LEU   5           HA       LEU   5  -2.688   5.686  -0.785
  730   1HB   LEU   5          1HB       LEU   5  -0.642   3.481  -1.073
  731   2HB   LEU   5          2HB       LEU   5  -2.298   3.283  -0.530
  732    HG   LEU   5           HG       LEU   5  -1.420   4.125  -3.295
  733   1HD1  LEU   5          1HD1      LEU   5  -1.238   1.669  -2.435
  734   2HD1  LEU   5          2HD1      LEU   5  -2.989   1.673  -2.649
  735   3HD1  LEU   5          3HD1      LEU   5  -1.931   2.007  -4.022
  736   1HD2  LEU   5          1HD2      LEU   5  -3.513   5.221  -2.579
  737   2HD2  LEU   5          2HD2      LEU   5  -3.760   4.072  -3.894
  738   3HD2  LEU   5          3HD2      LEU   5  -4.205   3.634  -2.245
  739    H    LEU   6           H        LEU   6   0.685   5.154   0.136
  740    HA   LEU   6           HA       LEU   6   0.323   4.551   2.827
  741   1HB   LEU   6          1HB       LEU   6   2.455   4.308   1.640
  742   2HB   LEU   6          2HB       LEU   6   2.588   6.049   1.503
  743    HG   LEU   6           HG       LEU   6   2.836   6.254   3.919
  744   1HD1  LEU   6          1HD1      LEU   6   2.487   3.262   3.899
  745   2HD1  LEU   6          2HD1      LEU   6   3.142   4.166   5.265
  746   3HD1  LEU   6          3HD1      LEU   6   1.490   4.459   4.725
  747   1HD2  LEU   6          1HD2      LEU   6   4.654   4.908   2.157
  748   2HD2  LEU   6          2HD2      LEU   6   4.999   6.040   3.465
  749   3HD2  LEU   6          3HD2      LEU   6   4.864   4.315   3.805
  750    H    GLU   7           H        GLU   7   0.541   7.648   1.173
  751    HA   GLU   7           HA       GLU   7   0.512   9.260   3.516
  752   1HB   GLU   7          1HB       GLU   7   1.353  10.096   1.366
  753   2HB   GLU   7          2HB       GLU   7  -0.253   9.936   0.667
  754   1HG   GLU   7          1HG       GLU   7  -1.104  11.618   2.214
  755   2HG   GLU   7          2HG       GLU   7   0.498  11.773   2.931
  756    H    ALA   8           H        ALA   8  -1.947   8.036   1.316
  757    HA   ALA   8           HA       ALA   8  -4.177   9.444   2.197
  758   1HB   ALA   8          1HB       ALA   8  -4.310   8.115   0.222
  759   2HB   ALA   8          2HB       ALA   8  -5.471   7.462   1.379
  760   3HB   ALA   8          3HB       ALA   8  -3.932   6.643   1.117
  761    H    ALA   9           H        ALA   9  -2.681   6.521   3.489
  762    HA   ALA   9           HA       ALA   9  -4.629   5.752   5.314
  763   1HB   ALA   9          1HB       ALA   9  -2.222   4.781   4.619
  764   2HB   ALA   9          2HB       ALA   9  -1.828   5.467   6.195
  765   3HB   ALA   9          3HB       ALA   9  -3.106   4.260   6.054
  766    H    ASP  10           H        ASP  10  -1.911   7.997   5.757
  767    HA   ASP  10           HA       ASP  10  -2.339   8.557   8.468
  768   1HB   ASP  10          1HB       ASP  10  -0.279   9.159   7.234
  769   2HB   ASP  10          2HB       ASP  10  -1.182  10.383   6.348
  770    H    TYR  11           H        TYR  11  -3.679   9.995   5.549
  771    HA   TYR  11           HA       TYR  11  -4.950  12.215   6.655
  772   1HB   TYR  11          1HB       TYR  11  -4.750  11.960   4.266
  773   2HB   TYR  11          2HB       TYR  11  -5.712  10.487   4.296
  774    HD1  TYR  11           HD1      TYR  11  -6.098  14.017   5.505
  775    HD2  TYR  11           HD2      TYR  11  -7.829  10.712   3.461
  776    HE1  TYR  11           HE1      TYR  11  -8.129  15.342   5.095
  777    HE2  TYR  11           HE2      TYR  11  -9.861  12.029   3.040
  778    HH   TYR  11           HH       TYR  11 -10.092  15.129   3.097
  779    H    LEU  12           H        LEU  12  -6.352   9.001   5.976
  780    HA   LEU  12           HA       LEU  12  -8.843   9.557   7.172
  781   1HB   LEU  12          1HB       LEU  12  -7.474   6.908   6.702
  782   2HB   LEU  12          2HB       LEU  12  -9.157   7.098   7.157
  783    HG   LEU  12           HG       LEU  12  -7.915   8.096   4.590
  784   1HD1  LEU  12          1HD1      LEU  12  -9.539   5.674   5.285
  785   2HD1  LEU  12          2HD1      LEU  12  -9.535   6.343   3.653
  786   3HD1  LEU  12          3HD1      LEU  12  -8.030   5.776   4.377
  787   1HD2  LEU  12          1HD2      LEU  12 -10.534   8.523   5.885
  788   2HD2  LEU  12          2HD2      LEU  12  -9.653   9.532   4.736
  789   3HD2  LEU  12          3HD2      LEU  12 -10.567   8.136   4.164
  790    H    GLU  13           H        GLU  13  -5.968   7.876   8.401
  791    HA   GLU  13           HA       GLU  13  -6.995   7.197  10.920
  792   1HB   GLU  13          1HB       GLU  13  -4.952   6.207   9.992
  793   2HB   GLU  13          2HB       GLU  13  -4.133   7.757  10.119
  794   1HG   GLU  13          1HG       GLU  13  -4.369   7.684  12.550
  795   2HG   GLU  13          2HG       GLU  13  -5.186   6.126  12.420

  No H/Q in entry =         795
  Start of MODEL    7
    1    H1   GLU   1           H1       GLU   1 -13.340  21.266  -3.383
    2    H2   GLU   1           H2       GLU   1 -12.607  21.807  -4.808
    3    H3   GLU   1           H3       GLU   1 -14.004  20.854  -4.883
    4    HA   GLU   1           HA       GLU   1 -12.907  18.935  -4.195
    5   1HB   GLU   1          1HB       GLU   1 -11.057  20.506  -6.005
    6   2HB   GLU   1          2HB       GLU   1 -11.065  18.755  -5.831
    7   1HG   GLU   1          1HG       GLU   1 -13.340  18.676  -6.716
    8   2HG   GLU   1          2HG       GLU   1 -13.331  20.431  -6.890
    9    H    SER   2           H        SER   2 -11.542  17.970  -2.800
   10    HA   SER   2           HA       SER   2 -10.132  19.464  -0.891
   11   1HB   SER   2          1HB       SER   2 -10.961  17.208  -0.425
   12   2HB   SER   2          2HB       SER   2  -9.848  16.537  -1.617
   13    HG   SER   2           HG       SER   2  -8.198  16.851  -0.287
   14    H    ASP   3           H        ASP   3  -9.008  17.638  -3.708
   15    HA   ASP   3           HA       ASP   3  -6.835  19.367  -4.213
   16   1HB   ASP   3          1HB       ASP   3  -6.011  18.119  -2.160
   17   2HB   ASP   3          2HB       ASP   3  -6.009  16.660  -3.144
   18    H    SER   4           H        SER   4  -5.305  16.773  -5.140
   19    HA   SER   4           HA       SER   4  -6.431  16.756  -7.757
   20   1HB   SER   4          1HB       SER   4  -3.996  16.489  -7.360
   21   2HB   SER   4          2HB       SER   4  -4.341  14.925  -6.646
   22    HG   SER   4           HG       SER   4  -4.023  14.325  -8.655
   23    H    VAL   5           H        VAL   5  -7.258  14.992  -8.870
   24    HA   VAL   5           HA       VAL   5  -9.176  13.467  -7.486
   25    HB   VAL   5           HB       VAL   5  -7.977  13.029 -10.229
   26   1HG1  VAL   5          1HG1      VAL   5  -9.119  11.034  -9.083
   27   2HG1  VAL   5          2HG1      VAL   5 -10.617  11.948  -9.291
   28   3HG1  VAL   5          3HG1      VAL   5  -9.665  11.481 -10.702
   29   1HG2  VAL   5          1HG2      VAL   5  -9.326  15.181  -9.552
   30   2HG2  VAL   5          2HG2      VAL   5  -9.610  14.383 -11.099
   31   3HG2  VAL   5          3HG2      VAL   5 -10.712  14.108  -9.751
   32    H    GLU   6           H        GLU   6  -5.874  12.854  -8.487
   33    HA   GLU   6           HA       GLU   6  -5.777  10.083  -8.073
   34   1HB   GLU   6          1HB       GLU   6  -3.568  12.118  -7.760
   35   2HB   GLU   6          2HB       GLU   6  -3.348  10.381  -7.921
   36   1HG   GLU   6          1HG       GLU   6  -4.351  10.463 -10.151
   37   2HG   GLU   6          2HG       GLU   6  -4.548  12.208  -9.990
   38    H    PHE   7           H        PHE   7  -5.295  12.793  -5.859
   39    HA   PHE   7           HA       PHE   7  -4.378  11.285  -3.658
   40   1HB   PHE   7          1HB       PHE   7  -4.199  13.756  -3.804
   41   2HB   PHE   7          2HB       PHE   7  -5.946  13.875  -3.627
   42    HD1  PHE   7           HD1      PHE   7  -3.583  11.654  -1.795
   43    HD2  PHE   7           HD2      PHE   7  -6.222  14.992  -1.616
   44    HE1  PHE   7           HE1      PHE   7  -3.334  11.717   0.651
   45    HE2  PHE   7           HE2      PHE   7  -5.978  15.056   0.832
   46    HZ   PHE   7           HZ       PHE   7  -4.533  13.419   1.968
   47    H    ASN   8           H        ASN   8  -7.615  12.513  -4.458
   48    HA   ASN   8           HA       ASN   8  -8.987  11.215  -2.355
   49   1HB   ASN   8          1HB       ASN   8 -10.027  12.006  -5.096
   50   2HB   ASN   8          2HB       ASN   8 -11.009  11.679  -3.670
   51   2HD2  ASN   8          2HD2      ASN   8 -11.900  13.564  -3.207
   52   1HD2  ASN   8          1HD2      ASN   8 -11.048  15.044  -2.946
   53    H    ASN   9           H        ASN   9  -7.930  10.319  -5.502
   54    HA   ASN   9           HA       ASN   9  -9.377   7.977  -5.977
   55   1HB   ASN   9          1HB       ASN   9  -7.911   9.272  -7.576
   56   2HB   ASN   9          2HB       ASN   9  -6.522   8.556  -6.791
   57   2HD2  ASN   9          2HD2      ASN   9  -7.830   8.457  -9.490
   58   1HD2  ASN   9          1HD2      ASN   9  -7.830   6.784  -9.861
   59    H    ALA  10           H        ALA  10  -6.364   8.603  -4.261
   60    HA   ALA  10           HA       ALA  10  -5.798   5.873  -3.662
   61   1HB   ALA  10          1HB       ALA  10  -4.517   7.487  -1.761
   62   2HB   ALA  10          2HB       ALA  10  -3.828   6.811  -3.237
   63   3HB   ALA  10          3HB       ALA  10  -4.543   8.424  -3.255
   64    H    ILE  11           H        ILE  11  -7.366   8.547  -1.943
   65    HA   ILE  11           HA       ILE  11  -7.653   7.395   0.568
   66    HB   ILE  11           HB       ILE  11  -9.732   9.100  -0.810
   67   1HG1  ILE  11          1HG1      ILE  11  -7.545  10.195  -0.890
   68   2HG1  ILE  11          2HG1      ILE  11  -8.613  11.025   0.231
   69   1HG2  ILE  11          1HG2      ILE  11  -9.363   8.082   1.926
   70   2HG2  ILE  11          2HG2      ILE  11  -9.818   9.782   1.792
   71   3HG2  ILE  11          3HG2      ILE  11 -10.837   8.536   1.070
   72   1HD1  ILE  11          1HD1      ILE  11  -6.899   8.962   1.426
   73   2HD1  ILE  11          2HD1      ILE  11  -6.059  10.366   0.764
   74   3HD1  ILE  11          3HD1      ILE  11  -7.304  10.582   1.995
   75    H    SER  12           H        SER  12  -9.646   7.064  -2.320
   76    HA   SER  12           HA       SER  12 -11.757   5.607  -1.259
   77   1HB   SER  12          1HB       SER  12 -10.548   5.361  -4.024
   78   2HB   SER  12          2HB       SER  12 -12.162   4.830  -3.553
   79    HG   SER  12           HG       SER  12 -11.872   7.009  -4.577
   80    H    TYR  13           H        TYR  13  -8.584   4.515  -2.378
   81    HA   TYR  13           HA       TYR  13  -9.169   1.744  -2.240
   82   1HB   TYR  13          1HB       TYR  13  -7.258   2.760  -3.509
   83   2HB   TYR  13          2HB       TYR  13  -6.459   3.057  -1.970
   84    HD1  TYR  13           HD1      TYR  13  -8.350   0.100  -3.243
   85    HD2  TYR  13           HD2      TYR  13  -4.639   1.627  -1.830
   86    HE1  TYR  13           HE1      TYR  13  -7.403  -2.166  -3.304
   87    HE2  TYR  13           HE2      TYR  13  -3.680  -0.637  -1.888
   88    HH   TYR  13           HH       TYR  13  -4.984  -3.187  -1.747
   89    H    VAL  14           H        VAL  14  -7.317   3.853  -0.042
   90    HA   VAL  14           HA       VAL  14  -6.891   1.967   1.980
   91    HB   VAL  14           HB       VAL  14  -7.250   4.943   2.362
   92   1HG1  VAL  14          1HG1      VAL  14  -7.244   3.543   4.418
   93   2HG1  VAL  14          2HG1      VAL  14  -5.629   2.984   3.979
   94   3HG1  VAL  14          3HG1      VAL  14  -5.909   4.691   4.331
   95   1HG2  VAL  14          1HG2      VAL  14  -5.462   3.830   0.659
   96   2HG2  VAL  14          2HG2      VAL  14  -5.197   5.341   1.530
   97   3HG2  VAL  14          3HG2      VAL  14  -4.534   3.833   2.159
   98    H    ASN  15           H        ASN  15  -9.489   4.300   1.527
   99    HA   ASN  15           HA       ASN  15 -10.897   3.888   3.901
  100   1HB   ASN  15          1HB       ASN  15 -11.197   5.677   2.103
  101   2HB   ASN  15          2HB       ASN  15 -12.184   4.503   1.261
  102   2HD2  ASN  15          2HD2      ASN  15 -12.321   7.069   3.202
  103   1HD2  ASN  15          1HD2      ASN  15 -13.818   6.783   4.004
  104    H    LYS  16           H        LYS  16 -11.501   2.558   0.679
  105    HA   LYS  16           HA       LYS  16 -13.588   0.851   1.358
  106   1HB   LYS  16          1HB       LYS  16 -12.952   1.413  -0.964
  107   2HB   LYS  16          2HB       LYS  16 -11.509   0.421  -0.799
  108   1HG   LYS  16          1HG       LYS  16 -12.893  -1.559  -0.484
  109   2HG   LYS  16          2HG       LYS  16 -14.348  -0.574  -0.621
  110   1HD   LYS  16          1HD       LYS  16 -13.576   0.104  -2.894
  111   2HD   LYS  16          2HD       LYS  16 -12.292  -1.101  -2.746
  112   1HE   LYS  16          1HE       LYS  16 -15.235  -1.684  -2.483
  113   2HE   LYS  16          2HE       LYS  16 -14.298  -1.916  -3.947
  114   1HZ   LYS  16          1HZ       LYS  16 -13.175  -3.168  -1.606
  115   2HZ   LYS  16          2HZ       LYS  16 -14.679  -3.790  -2.067
  116   3HZ   LYS  16          3HZ       LYS  16 -13.391  -3.792  -3.164
  117    H    ILE  17           H        ILE  17 -10.096   0.284   1.424
  118    HA   ILE  17           HA       ILE  17 -10.156  -2.463   2.000
  119    HB   ILE  17           HB       ILE  17  -8.130  -0.346   2.719
  120   1HG1  ILE  17          1HG1      ILE  17  -8.088  -2.536   0.632
  121   2HG1  ILE  17          2HG1      ILE  17  -8.453  -0.844   0.311
  122   1HG2  ILE  17          1HG2      ILE  17  -8.361  -2.983   3.773
  123   2HG2  ILE  17          2HG2      ILE  17  -6.937  -2.902   2.736
  124   3HG2  ILE  17          3HG2      ILE  17  -7.117  -1.771   4.075
  125   1HD1  ILE  17          1HD1      ILE  17  -5.851  -1.802   1.470
  126   2HD1  ILE  17          2HD1      ILE  17  -6.132  -1.536  -0.250
  127   3HD1  ILE  17          3HD1      ILE  17  -6.237  -0.186   0.880
  128    H    LYS  18           H        LYS  18 -10.042   0.352   4.153
  129    HA   LYS  18           HA       LYS  18 -10.011  -1.060   6.583
  130   1HB   LYS  18          1HB       LYS  18  -9.439   1.317   6.371
  131   2HB   LYS  18          2HB       LYS  18 -11.098   1.694   5.967
  132   1HG   LYS  18          1HG       LYS  18 -11.821   0.988   8.173
  133   2HG   LYS  18          2HG       LYS  18 -10.161   0.553   8.588
  134   1HD   LYS  18          1HD       LYS  18 -10.751   2.744   9.498
  135   2HD   LYS  18          2HD       LYS  18  -9.474   2.875   8.289
  136   1HE   LYS  18          1HE       LYS  18 -11.094   3.572   6.620
  137   2HE   LYS  18          2HE       LYS  18 -12.401   3.391   7.789
  138   1HZ   LYS  18          1HZ       LYS  18 -10.738   5.047   9.082
  139   2HZ   LYS  18          2HZ       LYS  18 -10.481   5.531   7.481
  140   3HZ   LYS  18          3HZ       LYS  18 -12.041   5.561   8.135
  141    H    THR  19           H        THR  19 -12.695   0.582   4.954
  142    HA   THR  19           HA       THR  19 -14.737  -0.253   6.655
  143    HB   THR  19           HB       THR  19 -14.948   1.529   4.893
  144    HG1  THR  19           HG1      THR  19 -16.776  -0.313   5.671
  145   1HG2  THR  19          1HG2      THR  19 -14.811  -0.874   3.146
  146   2HG2  THR  19          2HG2      THR  19 -15.904   0.430   2.682
  147   3HG2  THR  19          3HG2      THR  19 -14.183   0.753   2.884
  148    H    ARG  20           H        ARG  20 -13.152  -1.930   4.045
  149    HA   ARG  20           HA       ARG  20 -15.108  -3.966   3.710
  150   1HB   ARG  20          1HB       ARG  20 -13.548  -3.588   1.931
  151   2HB   ARG  20          2HB       ARG  20 -12.174  -3.828   3.006
  152   1HG   ARG  20          1HG       ARG  20 -12.591  -5.734   1.492
  153   2HG   ARG  20          2HG       ARG  20 -12.660  -6.170   3.201
  154   1HD   ARG  20          1HD       ARG  20 -14.471  -7.219   1.946
  155   2HD   ARG  20          2HD       ARG  20 -15.091  -6.074   3.136
  156    HE   ARG  20           HE       ARG  20 -14.806  -4.736   0.698
  157   1HH1  ARG  20          1HH1      ARG  20 -16.725  -7.280   2.106
  158   2HH1  ARG  20          2HH1      ARG  20 -18.102  -6.973   1.102
  159   1HH2  ARG  20          1HH2      ARG  20 -16.615  -4.323  -0.628
  160   2HH2  ARG  20          2HH2      ARG  20 -18.038  -5.294  -0.455
  161    H    PHE  21           H        PHE  21 -11.940  -3.975   5.326
  162    HA   PHE  21           HA       PHE  21 -12.610  -6.452   6.686
  163   1HB   PHE  21          1HB       PHE  21 -10.076  -4.810   6.746
  164   2HB   PHE  21          2HB       PHE  21 -10.289  -6.385   7.496
  165    HD1  PHE  21           HD1      PHE  21 -10.254  -4.631   4.235
  166    HD2  PHE  21           HD2      PHE  21  -9.962  -8.349   6.277
  167    HE1  PHE  21           HE1      PHE  21  -9.513  -5.713   2.153
  168    HE2  PHE  21           HE2      PHE  21  -9.207  -9.437   4.208
  169    HZ   PHE  21           HZ       PHE  21  -8.987  -8.118   2.137
  170    H    LEU  22           H        LEU  22 -14.185  -4.210   7.490
  171    HA   LEU  22           HA       LEU  22 -13.305  -2.848   9.737
  172   1HB   LEU  22          1HB       LEU  22 -16.037  -3.876   9.009
  173   2HB   LEU  22          2HB       LEU  22 -15.755  -2.918  10.448
  174    HG   LEU  22           HG       LEU  22 -15.181  -1.997   7.631
  175   1HD1  LEU  22          1HD1      LEU  22 -17.641  -2.352   8.549
  176   2HD1  LEU  22          2HD1      LEU  22 -17.309  -0.799   9.315
  177   3HD1  LEU  22          3HD1      LEU  22 -17.205  -0.958   7.562
  178   1HD2  LEU  22          1HD2      LEU  22 -14.732  -0.837  10.326
  179   2HD2  LEU  22          2HD2      LEU  22 -13.782  -0.673   8.849
  180   3HD2  LEU  22          3HD2      LEU  22 -15.275   0.246   9.043
  181    H    ASP  23           H        ASP  23 -14.432  -6.141   9.421
  182    HA   ASP  23           HA       ASP  23 -14.590  -6.653  12.229
  183   1HB   ASP  23          1HB       ASP  23 -15.928  -7.926  10.622
  184   2HB   ASP  23          2HB       ASP  23 -14.459  -8.570   9.897
  185    H    HIS  24           H        HIS  24 -12.181  -7.190   9.699
  186    HA   HIS  24           HA       HIS  24 -10.319  -8.240  11.693
  187   1HB   HIS  24          1HB       HIS  24 -10.272  -8.345   8.676
  188   2HB   HIS  24          2HB       HIS  24  -9.056  -9.031   9.730
  189    HD1  HIS  24           HD1      HIS  24 -10.318 -10.764  11.625
  190    HD2  HIS  24           HD2      HIS  24 -11.994 -10.239   7.859
  191    HE1  HIS  24           HE1      HIS  24 -11.808 -12.759  11.268
  192    HE2  HIS  24           HE2      HIS  24 -12.851 -12.395   9.003
  193    HA   PRO  25           HA       PRO  25  -8.936  -3.820  11.008
  194   1HB   PRO  25          1HB       PRO  25  -7.841  -3.632  13.503
  195   2HB   PRO  25          2HB       PRO  25  -9.501  -3.182  13.115
  196   1HG   PRO  25          1HG       PRO  25  -8.460  -5.723  14.310
  197   2HG   PRO  25          2HG       PRO  25  -9.896  -4.781  14.758
  198   1HD   PRO  25          1HD       PRO  25 -10.114  -6.997  13.276
  199   2HD   PRO  25          2HD       PRO  25 -11.133  -5.578  12.958
  200    H    GLU  26           H        GLU  26  -7.296  -6.599  12.445
  201    HA   GLU  26           HA       GLU  26  -4.668  -5.776  12.356
  202   1HB   GLU  26          1HB       GLU  26  -4.072  -8.158  12.142
  203   2HB   GLU  26          2HB       GLU  26  -5.325  -7.894  13.346
  204   1HG   GLU  26          1HG       GLU  26  -7.020  -8.610  11.738
  205   2HG   GLU  26          2HG       GLU  26  -5.759  -8.881  10.536
  206    H    ILE  27           H        ILE  27  -6.740  -6.757   9.720
  207    HA   ILE  27           HA       ILE  27  -4.765  -7.191   7.748
  208    HB   ILE  27           HB       ILE  27  -7.502  -6.059   7.202
  209   1HG1  ILE  27          1HG1      ILE  27  -7.597  -7.990   8.816
  210   2HG1  ILE  27          2HG1      ILE  27  -8.454  -8.244   7.307
  211   1HG2  ILE  27          1HG2      ILE  27  -5.365  -7.020   5.585
  212   2HG2  ILE  27          2HG2      ILE  27  -6.746  -8.101   5.401
  213   3HG2  ILE  27          3HG2      ILE  27  -6.929  -6.376   5.086
  214   1HD1  ILE  27          1HD1      ILE  27  -5.660  -9.212   7.519
  215   2HD1  ILE  27          2HD1      ILE  27  -6.940 -10.099   8.348
  216   3HD1  ILE  27          3HD1      ILE  27  -7.023  -9.860   6.602
  217    H    TYR  28           H        TYR  28  -6.686  -4.343   8.606
  218    HA   TYR  28           HA       TYR  28  -5.718  -2.564   6.691
  219   1HB   TYR  28          1HB       TYR  28  -7.688  -2.211   8.180
  220   2HB   TYR  28          2HB       TYR  28  -6.575  -1.910   9.503
  221    HD1  TYR  28           HD1      TYR  28  -7.375  -0.699   6.076
  222    HD2  TYR  28           HD2      TYR  28  -5.928   0.268   9.954
  223    HE1  TYR  28           HE1      TYR  28  -7.312   1.681   5.451
  224    HE2  TYR  28           HE2      TYR  28  -5.862   2.650   9.344
  225    HH   TYR  28           HH       TYR  28  -6.676   4.181   7.797
  226    H    ARG  29           H        ARG  29  -4.588  -3.233   9.972
  227    HA   ARG  29           HA       ARG  29  -2.554  -1.329  10.114
  228   1HB   ARG  29          1HB       ARG  29  -2.768  -4.040  11.420
  229   2HB   ARG  29          2HB       ARG  29  -1.623  -2.797  11.885
  230   1HG   ARG  29          1HG       ARG  29  -4.616  -2.501  11.966
  231   2HG   ARG  29          2HG       ARG  29  -3.597  -2.890  13.352
  232   1HD   ARG  29          1HD       ARG  29  -2.444  -0.768  13.135
  233   2HD   ARG  29          2HD       ARG  29  -3.364  -0.390  11.679
  234    HE   ARG  29           HE       ARG  29  -4.177   0.081  14.329
  235   1HH1  ARG  29          1HH1      ARG  29  -5.442  -1.086  11.293
  236   2HH1  ARG  29          2HH1      ARG  29  -7.071  -0.617  11.649
  237   1HH2  ARG  29          1HH2      ARG  29  -6.317   0.698  14.799
  238   2HH2  ARG  29          2HH2      ARG  29  -7.568   0.397  13.638
  239    H    SER  30           H        SER  30  -2.262  -4.802   9.376
  240    HA   SER  30           HA       SER  30   0.433  -4.910   8.826
  241   1HB   SER  30          1HB       SER  30  -1.777  -6.453   7.444
  242   2HB   SER  30          2HB       SER  30  -0.068  -6.892   7.439
  243    HG   SER  30           HG       SER  30  -0.175  -7.394   9.553
  244    H    PHE  31           H        PHE  31  -2.198  -4.233   6.528
  245    HA   PHE  31           HA       PHE  31  -0.750  -3.955   4.200
  246   1HB   PHE  31          1HB       PHE  31  -3.164  -3.874   4.186
  247   2HB   PHE  31          2HB       PHE  31  -3.164  -2.407   5.159
  248    HD1  PHE  31           HD1      PHE  31  -1.701  -3.617   1.939
  249    HD2  PHE  31           HD2      PHE  31  -3.593  -0.450   4.067
  250    HE1  PHE  31           HE1      PHE  31  -1.725  -2.259  -0.114
  251    HE2  PHE  31           HE2      PHE  31  -3.625   0.910   2.015
  252    HZ   PHE  31           HZ       PHE  31  -2.688   0.008  -0.077
  253    H    LEU  32           H        LEU  32  -1.499  -1.434   6.594
  254    HA   LEU  32           HA       LEU  32  -0.127   0.654   5.331
  255   1HB   LEU  32          1HB       LEU  32  -0.638   0.234   8.274
  256   2HB   LEU  32          2HB       LEU  32  -0.150   1.748   7.538
  257    HG   LEU  32           HG       LEU  32  -2.736   0.297   6.971
  258   1HD1  LEU  32          1HD1      LEU  32  -2.045   2.594   8.769
  259   2HD1  LEU  32          2HD1      LEU  32  -3.669   2.377   8.118
  260   3HD1  LEU  32          3HD1      LEU  32  -2.955   1.131   9.141
  261   1HD2  LEU  32          1HD2      LEU  32  -1.330   2.302   5.532
  262   2HD2  LEU  32          2HD2      LEU  32  -2.916   1.608   5.195
  263   3HD2  LEU  32          3HD2      LEU  32  -2.776   3.029   6.231
  264    H    GLU  33           H        GLU  33   0.958  -1.787   7.636
  265    HA   GLU  33           HA       GLU  33   3.544  -0.726   8.070
  266   1HB   GLU  33          1HB       GLU  33   2.550  -2.414   9.548
  267   2HB   GLU  33          2HB       GLU  33   2.575  -3.590   8.243
  268   1HG   GLU  33          1HG       GLU  33   5.016  -3.490   8.200
  269   2HG   GLU  33          2HG       GLU  33   4.987  -2.315   9.514
  270    H    ILE  34           H        ILE  34   2.160  -2.759   5.577
  271    HA   ILE  34           HA       ILE  34   4.525  -3.722   4.408
  272    HB   ILE  34           HB       ILE  34   1.870  -3.094   3.128
  273   1HG1  ILE  34          1HG1      ILE  34   3.033  -5.698   4.133
  274   2HG1  ILE  34          2HG1      ILE  34   1.825  -4.739   4.982
  275   1HG2  ILE  34          1HG2      ILE  34   4.373  -3.880   1.962
  276   2HG2  ILE  34          2HG2      ILE  34   3.176  -5.158   1.749
  277   3HG2  ILE  34          3HG2      ILE  34   2.835  -3.526   1.173
  278   1HD1  ILE  34          1HD1      ILE  34   1.455  -5.946   2.264
  279   2HD1  ILE  34          2HD1      ILE  34   0.882  -6.652   3.774
  280   3HD1  ILE  34          3HD1      ILE  34   0.240  -5.106   3.226
  281    H    LEU  35           H        LEU  35   2.472  -0.972   3.458
  282    HA   LEU  35           HA       LEU  35   4.223   0.091   1.527
  283   1HB   LEU  35          1HB       LEU  35   2.174   1.507   3.246
  284   2HB   LEU  35          2HB       LEU  35   2.921   2.176   1.803
  285    HG   LEU  35           HG       LEU  35   1.227  -0.322   1.780
  286   1HD1  LEU  35          1HD1      LEU  35   0.488   2.555   1.662
  287   2HD1  LEU  35          2HD1      LEU  35  -0.362   1.426   0.607
  288   3HD1  LEU  35          3HD1      LEU  35  -0.387   1.188   2.354
  289   1HD2  LEU  35          1HD2      LEU  35   2.978   0.442  -0.075
  290   2HD2  LEU  35          2HD2      LEU  35   1.436  -0.310  -0.482
  291   3HD2  LEU  35          3HD2      LEU  35   1.612   1.443  -0.568
  292    H    HIS  36           H        HIS  36   3.882   0.547   4.977
  293    HA   HIS  36           HA       HIS  36   5.647   2.700   5.331
  294   1HB   HIS  36          1HB       HIS  36   4.217   0.797   6.998
  295   2HB   HIS  36          2HB       HIS  36   5.797   1.180   7.665
  296    HD1  HIS  36           HD1      HIS  36   6.154   4.058   7.359
  297    HD2  HIS  36           HD2      HIS  36   2.406   2.437   8.109
  298    HE1  HIS  36           HE1      HIS  36   4.792   5.937   8.323
  299    HE2  HIS  36           HE2      HIS  36   2.519   4.938   8.758
  300    H    THR  37           H        THR  37   6.183  -0.781   5.223
  301    HA   THR  37           HA       THR  37   8.866  -0.774   6.089
  302    HB   THR  37           HB       THR  37   7.432  -2.728   4.276
  303    HG1  THR  37           HG1      THR  37   7.204  -2.238   6.873
  304   1HG2  THR  37          1HG2      THR  37  10.161  -2.540   4.665
  305   2HG2  THR  37          2HG2      THR  37   9.662  -3.752   5.845
  306   3HG2  THR  37          3HG2      THR  37   9.285  -3.978   4.136
  307    H    TYR  38           H        TYR  38   7.405  -0.660   2.870
  308    HA   TYR  38           HA       TYR  38   9.784  -0.676   1.389
  309   1HB   TYR  38          1HB       TYR  38   7.830  -1.172   0.213
  310   2HB   TYR  38          2HB       TYR  38   7.011   0.256   0.818
  311    HD1  TYR  38           HD1      TYR  38   9.942  -0.700  -1.272
  312    HD2  TYR  38           HD2      TYR  38   6.828   2.111  -0.561
  313    HE1  TYR  38           HE1      TYR  38  10.592   0.522  -3.303
  314    HE2  TYR  38           HE2      TYR  38   7.466   3.339  -2.595
  315    HH   TYR  38           HH       TYR  38   8.841   3.439  -4.332
  316    H    GLN  39           H        GLN  39   7.777   2.032   2.511
  317    HA   GLN  39           HA       GLN  39   9.293   4.063   1.343
  318   1HB   GLN  39          1HB       GLN  39   7.074   4.521   1.862
  319   2HB   GLN  39          2HB       GLN  39   7.245   3.916   3.507
  320   1HG   GLN  39          1HG       GLN  39   7.135   6.240   3.614
  321   2HG   GLN  39          2HG       GLN  39   8.785   5.758   3.948
  322   2HE2  GLN  39          2HE2      GLN  39   8.156   5.415   0.696
  323   1HE2  GLN  39          1HE2      GLN  39   8.808   6.912   0.136
  324    H    LYS  40           H        LYS  40   9.249   2.775   4.669
  325    HA   LYS  40           HA       LYS  40  10.984   4.522   5.861
  326   1HB   LYS  40          1HB       LYS  40   9.598   2.482   6.737
  327   2HB   LYS  40          2HB       LYS  40  11.092   1.601   6.472
  328   1HG   LYS  40          1HG       LYS  40  12.258   3.207   7.935
  329   2HG   LYS  40          2HG       LYS  40  10.706   4.001   8.215
  330   1HD   LYS  40          1HD       LYS  40  11.195   2.520  10.064
  331   2HD   LYS  40          2HD       LYS  40   9.828   1.887   9.146
  332   1HE   LYS  40          1HE       LYS  40  11.388   0.110   9.760
  333   2HE   LYS  40          2HE       LYS  40  11.301   0.314   8.010
  334   1HZ   LYS  40          1HZ       LYS  40  13.331   1.972   8.849
  335   2HZ   LYS  40          2HZ       LYS  40  13.547   0.546   9.731
  336   3HZ   LYS  40          3HZ       LYS  40  13.496   0.494   8.042
  337    H    GLU  41           H        GLU  41  11.724   1.570   4.033
  338    HA   GLU  41           HA       GLU  41  14.520   1.639   4.432
  339   1HB   GLU  41          1HB       GLU  41  13.354  -0.380   3.678
  340   2HB   GLU  41          2HB       GLU  41  12.922   0.419   2.172
  341   1HG   GLU  41          1HG       GLU  41  14.786  -1.098   1.853
  342   2HG   GLU  41          2HG       GLU  41  15.272   0.571   1.561
  343    H    GLN  42           H        GLN  42  12.421   2.938   1.906
  344    HA   GLN  42           HA       GLN  42  14.379   3.837   0.135
  345   1HB   GLN  42          1HB       GLN  42  11.985   3.751  -0.420
  346   2HB   GLN  42          2HB       GLN  42  11.674   5.060   0.712
  347   1HG   GLN  42          1HG       GLN  42  13.066   6.553  -0.632
  348   2HG   GLN  42          2HG       GLN  42  13.372   5.242  -1.767
  349   2HE2  GLN  42          2HE2      GLN  42  10.278   4.864  -0.695
  350   1HE2  GLN  42          1HE2      GLN  42   9.441   5.714  -1.942
  351    H    LEU  43           H        LEU  43  13.264   5.160   3.153
  352    HA   LEU  43           HA       LEU  43  14.138   7.803   2.860
  353   1HB   LEU  43          1HB       LEU  43  13.986   6.128   5.356
  354   2HB   LEU  43          2HB       LEU  43  14.158   7.870   5.322
  355    HG   LEU  43           HG       LEU  43  11.789   6.356   4.225
  356   1HD1  LEU  43          1HD1      LEU  43  12.267   7.732   6.852
  357   2HD1  LEU  43          2HD1      LEU  43  10.645   7.483   6.206
  358   3HD1  LEU  43          3HD1      LEU  43  11.676   6.096   6.556
  359   1HD2  LEU  43          1HD2      LEU  43  12.224   8.500   3.108
  360   2HD2  LEU  43          2HD2      LEU  43  10.739   8.538   4.058
  361   3HD2  LEU  43          3HD2      LEU  43  12.199   9.311   4.674
  362    H    HIS  44           H        HIS  44  15.847   4.887   3.852
  363    HA   HIS  44           HA       HIS  44  18.268   6.355   4.470
  364   1HB   HIS  44          1HB       HIS  44  17.697   3.387   4.445
  365   2HB   HIS  44          2HB       HIS  44  19.202   4.119   4.991
  366    HD1  HIS  44           HD1      HIS  44  18.154   2.582   7.139
  367    HD2  HIS  44           HD2      HIS  44  16.572   6.347   6.371
  368    HE1  HIS  44           HE1      HIS  44  17.023   3.285   9.273
  369    HE2  HIS  44           HE2      HIS  44  16.002   5.530   8.757
  370    H    THR  45           H        THR  45  16.967   4.439   1.868
  371    HA   THR  45           HA       THR  45  17.737   3.853  -0.177
  372    HB   THR  45           HB       THR  45  19.190   5.492  -1.365
  373    HG1  THR  45           HG1      THR  45  19.468   7.529  -0.086
  374   1HG2  THR  45          1HG2      THR  45  16.556   5.823  -0.432
  375   2HG2  THR  45          2HG2      THR  45  17.337   7.399  -0.301
  376   3HG2  THR  45          3HG2      THR  45  17.302   6.559  -1.850
  377    H    LYS  46           H        LYS  46  18.980   2.428   1.795
  378    HA   LYS  46           HA       LYS  46  21.517   1.814   0.522
  379   1HB   LYS  46          1HB       LYS  46  21.304   2.520   3.455
  380   2HB   LYS  46          2HB       LYS  46  22.683   1.692   2.748
  381   1HG   LYS  46          1HG       LYS  46  21.723   4.439   1.972
  382   2HG   LYS  46          2HG       LYS  46  23.075   4.094   3.049
  383   1HD   LYS  46          1HD       LYS  46  22.884   3.243   0.158
  384   2HD   LYS  46          2HD       LYS  46  23.809   4.621   0.755
  385   1HE   LYS  46          1HE       LYS  46  25.176   3.110   2.115
  386   2HE   LYS  46          2HE       LYS  46  24.250   1.734   1.516
  387   1HZ   LYS  46          1HZ       LYS  46  25.080   3.017  -0.743
  388   2HZ   LYS  46          2HZ       LYS  46  26.417   3.138   0.287
  389   3HZ   LYS  46          3HZ       LYS  46  25.770   1.620  -0.085
  390    H    GLY  47           H        GLY  47  19.160   0.404   0.418
  391   1HA   GLY  47          1HA       GLY  47  18.200  -1.627   0.800
  392   2HA   GLY  47          2HA       GLY  47  18.961  -1.621   2.383
  393    H    ARG  48           H        ARG  48  19.708  -3.622   2.434
  394    HA   ARG  48           HA       ARG  48  22.179  -4.287   1.417
  395   1HB   ARG  48          1HB       ARG  48  19.934  -6.125   2.262
  396   2HB   ARG  48          2HB       ARG  48  21.585  -6.655   1.971
  397   1HG   ARG  48          1HG       ARG  48  22.373  -5.194   3.763
  398   2HG   ARG  48          2HG       ARG  48  20.714  -4.669   4.057
  399   1HD   ARG  48          1HD       ARG  48  21.388  -6.393   5.650
  400   2HD   ARG  48          2HD       ARG  48  20.076  -6.956   4.615
  401    HE   ARG  48           HE       ARG  48  21.451  -8.641   3.964
  402   1HH1  ARG  48          1HH1      ARG  48  23.452  -5.952   4.935
  403   2HH1  ARG  48          2HH1      ARG  48  24.938  -6.783   4.623
  404   1HH2  ARG  48          1HH2      ARG  48  23.406  -9.737   3.555
  405   2HH2  ARG  48          2HH2      ARG  48  24.913  -8.931   3.841
  406    HA   PRO  49           HA       PRO  49  21.654  -5.262  -2.860
  407   1HB   PRO  49          1HB       PRO  49  23.570  -7.221  -3.087
  408   2HB   PRO  49          2HB       PRO  49  23.918  -5.489  -3.085
  409   1HG   PRO  49          1HG       PRO  49  24.075  -7.456  -0.833
  410   2HG   PRO  49          2HG       PRO  49  25.216  -6.170  -1.274
  411   1HD   PRO  49          1HD       PRO  49  23.492  -5.851   0.742
  412   2HD   PRO  49          2HD       PRO  49  23.880  -4.503  -0.350
  413    H    PHE  50           H        PHE  50  20.292  -6.527  -3.935
  414    HA   PHE  50           HA       PHE  50  18.939  -8.258  -4.505
  415   1HB   PHE  50          1HB       PHE  50  21.067  -9.540  -4.508
  416   2HB   PHE  50          2HB       PHE  50  20.798  -9.939  -2.816
  417    HD1  PHE  50           HD1      PHE  50  18.413  -9.892  -5.677
  418    HD2  PHE  50           HD2      PHE  50  20.446 -12.221  -2.752
  419    HE1  PHE  50           HE1      PHE  50  17.112 -11.867  -6.352
  420    HE2  PHE  50           HE2      PHE  50  19.150 -14.202  -3.424
  421    HZ   PHE  50           HZ       PHE  50  17.479 -14.026  -5.225
  422    H    ARG  51           H        ARG  51  17.073  -9.228  -3.749
  423    HA   ARG  51           HA       ARG  51  15.287  -9.454  -2.400
  424   1HB   ARG  51          1HB       ARG  51  17.444 -10.269  -0.465
  425   2HB   ARG  51          2HB       ARG  51  15.730 -10.568  -0.282
  426   1HG   ARG  51          1HG       ARG  51  15.732 -11.941  -2.274
  427   2HG   ARG  51          2HG       ARG  51  17.462 -11.651  -2.469
  428   1HD   ARG  51          1HD       ARG  51  16.120 -13.043  -0.154
  429   2HD   ARG  51          2HD       ARG  51  17.077 -13.809  -1.420
  430    HE   ARG  51           HE       ARG  51  18.665 -11.868  -0.196
  431   1HH1  ARG  51          1HH1      ARG  51  17.131 -14.896   0.596
  432   2HH1  ARG  51          2HH1      ARG  51  18.312 -15.330   1.786
  433   1HH2  ARG  51          1HH2      ARG  51  20.224 -12.434   1.373
  434   2HH2  ARG  51          2HH2      ARG  51  20.065 -13.931   2.230
  435    H    GLY  52           H        GLY  52  16.449  -6.844  -2.519
  436   1HA   GLY  52          1HA       GLY  52  16.388  -4.801  -1.481
  437   2HA   GLY  52          2HA       GLY  52  16.561  -5.638   0.050
  438    H    MET  53           H        MET  53  14.657  -3.618  -1.552
  439    HA   MET  53           HA       MET  53  12.074  -4.694  -0.857
  440   1HB   MET  53          1HB       MET  53  12.927  -3.892   1.302
  441   2HB   MET  53          2HB       MET  53  13.174  -2.301   0.602
  442   1HG   MET  53          1HG       MET  53  11.149  -2.246   1.850
  443   2HG   MET  53          2HG       MET  53  10.738  -2.194   0.136
  444   1HE   MET  53          1HE       MET  53   8.641  -2.385   1.564
  445   2HE   MET  53          2HE       MET  53   7.806  -3.660   0.679
  446   3HE   MET  53          3HE       MET  53   8.096  -3.833   2.410
  447    H    SER  54           H        SER  54  10.736  -4.044  -2.400
  448    HA   SER  54           HA       SER  54  10.709  -1.326  -3.325
  449   1HB   SER  54          1HB       SER  54  11.453  -3.631  -5.131
  450   2HB   SER  54          2HB       SER  54  10.955  -2.052  -5.706
  451    HG   SER  54           HG       SER  54  12.750  -1.153  -4.654
  452    H    GLU  55           H        GLU  55   9.296  -2.161  -5.794
  453    HA   GLU  55           HA       GLU  55   6.671  -2.306  -4.721
  454   1HB   GLU  55          1HB       GLU  55   7.649  -2.631  -7.563
  455   2HB   GLU  55          2HB       GLU  55   5.962  -2.485  -7.097
  456   1HG   GLU  55          1HG       GLU  55   6.735  -0.366  -7.886
  457   2HG   GLU  55          2HG       GLU  55   6.457  -0.257  -6.149
  458    H    GLU  56           H        GLU  56   8.900  -4.654  -6.049
  459    HA   GLU  56           HA       GLU  56   7.163  -6.757  -6.576
  460   1HB   GLU  56          1HB       GLU  56   9.134  -8.226  -6.271
  461   2HB   GLU  56          2HB       GLU  56   9.465  -6.831  -7.289
  462   1HG   GLU  56          1HG       GLU  56  10.537  -5.712  -5.393
  463   2HG   GLU  56          2HG       GLU  56  10.220  -7.127  -4.390
  464    H    GLU  57           H        GLU  57   8.861  -6.003  -3.532
  465    HA   GLU  57           HA       GLU  57   7.799  -8.220  -2.114
  466   1HB   GLU  57          1HB       GLU  57   9.836  -7.054  -1.391
  467   2HB   GLU  57          2HB       GLU  57   8.890  -5.612  -1.046
  468   1HG   GLU  57          1HG       GLU  57   9.212  -6.629   1.032
  469   2HG   GLU  57          2HG       GLU  57   7.562  -7.056   0.570
  470    H    VAL  58           H        VAL  58   6.962  -4.763  -2.073
  471    HA   VAL  58           HA       VAL  58   4.897  -4.835  -0.241
  472    HB   VAL  58           HB       VAL  58   4.980  -3.103  -2.713
  473   1HG1  VAL  58          1HG1      VAL  58   2.876  -3.271  -1.196
  474   2HG1  VAL  58          2HG1      VAL  58   3.831  -2.300  -0.076
  475   3HG1  VAL  58          3HG1      VAL  58   3.473  -1.688  -1.691
  476   1HG2  VAL  58          1HG2      VAL  58   7.069  -3.131  -1.263
  477   2HG2  VAL  58          2HG2      VAL  58   6.313  -1.560  -1.537
  478   3HG2  VAL  58          3HG2      VAL  58   6.074  -2.398  -0.005
  479    H    PHE  59           H        PHE  59   4.757  -5.406  -3.733
  480    HA   PHE  59           HA       PHE  59   1.980  -5.691  -3.960
  481   1HB   PHE  59          1HB       PHE  59   3.474  -5.448  -5.902
  482   2HB   PHE  59          2HB       PHE  59   4.150  -7.042  -5.583
  483    HD1  PHE  59           HD1      PHE  59   0.685  -5.655  -5.804
  484    HD2  PHE  59           HD2      PHE  59   3.473  -8.587  -7.125
  485    HE1  PHE  59           HE1      PHE  59  -1.060  -6.676  -7.207
  486    HE2  PHE  59           HE2      PHE  59   1.734  -9.613  -8.531
  487    HZ   PHE  59           HZ       PHE  59  -0.537  -8.657  -8.573
  488    H    THR  60           H        THR  60   4.502  -7.971  -3.070
  489    HA   THR  60           HA       THR  60   2.817 -10.268  -3.099
  490    HB   THR  60           HB       THR  60   5.480  -9.853  -1.732
  491    HG1  THR  60           HG1      THR  60   5.157  -9.757  -4.189
  492   1HG2  THR  60          1HG2      THR  60   3.653 -12.171  -1.943
  493   2HG2  THR  60          2HG2      THR  60   5.364 -12.492  -2.229
  494   3HG2  THR  60          3HG2      THR  60   4.845 -11.775  -0.703
  495    H    GLU  61           H        GLU  61   4.086  -8.225  -0.477
  496    HA   GLU  61           HA       GLU  61   2.995  -9.593   1.677
  497   1HB   GLU  61          1HB       GLU  61   3.428  -6.613   1.414
  498   2HB   GLU  61          2HB       GLU  61   3.238  -7.496   2.922
  499   1HG   GLU  61          1HG       GLU  61   5.482  -7.876   0.952
  500   2HG   GLU  61          2HG       GLU  61   5.574  -6.940   2.443
  501    H    VAL  62           H        VAL  62   1.614  -6.939  -0.241
  502    HA   VAL  62           HA       VAL  62  -0.812  -6.757   1.202
  503    HB   VAL  62           HB       VAL  62  -0.277  -6.041  -1.690
  504   1HG1  VAL  62          1HG1      VAL  62  -2.696  -6.077  -0.187
  505   2HG1  VAL  62          2HG1      VAL  62  -2.256  -4.399  -0.505
  506   3HG1  VAL  62          3HG1      VAL  62  -2.433  -5.532  -1.844
  507   1HG2  VAL  62          1HG2      VAL  62   0.914  -4.963   0.511
  508   2HG2  VAL  62          2HG2      VAL  62   0.656  -4.115  -1.015
  509   3HG2  VAL  62          3HG2      VAL  62  -0.489  -3.912   0.311
  510    H    ALA  63           H        ALA  63   0.164  -8.588  -1.672
  511    HA   ALA  63           HA       ALA  63  -2.332  -9.682  -2.330
  512   1HB   ALA  63          1HB       ALA  63  -0.762 -11.625  -3.193
  513   2HB   ALA  63          2HB       ALA  63   0.498 -10.436  -2.862
  514   3HB   ALA  63          3HB       ALA  63  -0.802 -10.053  -3.991
  515    H    ASN  64           H        ASN  64   0.188 -10.729  -0.114
  516    HA   ASN  64           HA       ASN  64  -0.896 -13.210   0.631
  517   1HB   ASN  64          1HB       ASN  64   0.965 -11.279   2.022
  518   2HB   ASN  64          2HB       ASN  64   0.505 -12.821   2.741
  519   2HD2  ASN  64          2HD2      ASN  64   2.929 -11.390   1.190
  520   1HD2  ASN  64          1HD2      ASN  64   3.577 -12.725   0.306
  521    H    LEU  65           H        LEU  65  -1.385  -9.947   1.873
  522    HA   LEU  65           HA       LEU  65  -2.974 -10.644   4.107
  523   1HB   LEU  65          1HB       LEU  65  -2.251  -8.220   2.611
  524   2HB   LEU  65          2HB       LEU  65  -3.806  -8.148   3.406
  525    HG   LEU  65           HG       LEU  65  -1.212  -8.786   4.807
  526   1HD1  LEU  65          1HD1      LEU  65  -2.160  -6.334   3.810
  527   2HD1  LEU  65          2HD1      LEU  65  -2.420  -6.304   5.555
  528   3HD1  LEU  65          3HD1      LEU  65  -0.805  -6.606   4.910
  529   1HD2  LEU  65          1HD2      LEU  65  -4.055  -8.703   5.595
  530   2HD2  LEU  65          2HD2      LEU  65  -2.711  -9.614   6.288
  531   3HD2  LEU  65          3HD2      LEU  65  -2.925  -7.911   6.697
  532    H    PHE  66           H        PHE  66  -3.942  -9.068   1.090
  533    HA   PHE  66           HA       PHE  66  -6.716  -9.632   1.463
  534   1HB   PHE  66          1HB       PHE  66  -5.255  -8.659  -0.997
  535   2HB   PHE  66          2HB       PHE  66  -6.992  -8.601  -0.745
  536    HD1  PHE  66           HD1      PHE  66  -5.703  -7.865   2.375
  537    HD2  PHE  66           HD2      PHE  66  -6.037  -6.177  -1.526
  538    HE1  PHE  66           HE1      PHE  66  -5.469  -5.611   3.329
  539    HE2  PHE  66           HE2      PHE  66  -5.809  -3.922  -0.569
  540    HZ   PHE  66           HZ       PHE  66  -5.522  -3.637   1.859
  541    H    ARG  67           H        ARG  67  -5.348 -12.077   1.525
  542    HA   ARG  67           HA       ARG  67  -5.267 -13.427  -0.934
  543   1HB   ARG  67          1HB       ARG  67  -4.171 -14.289   1.081
  544   2HB   ARG  67          2HB       ARG  67  -5.743 -14.544   1.835
  545   1HG   ARG  67          1HG       ARG  67  -6.280 -16.124  -0.038
  546   2HG   ARG  67          2HG       ARG  67  -4.597 -15.977  -0.547
  547   1HD   ARG  67          1HD       ARG  67  -4.861 -17.954   0.815
  548   2HD   ARG  67          2HD       ARG  67  -3.887 -16.765   1.680
  549    HE   ARG  67           HE       ARG  67  -6.540 -16.398   2.442
  550   1HH1  ARG  67          1HH1      ARG  67  -4.060 -18.833   2.698
  551   2HH1  ARG  67          2HH1      ARG  67  -4.665 -19.473   4.190
  552   1HH2  ARG  67          1HH2      ARG  67  -7.343 -17.233   4.401
  553   2HH2  ARG  67          2HH2      ARG  67  -6.531 -18.563   5.158
  554    H    GLY  68           H        GLY  68  -6.754 -14.540  -2.099
  555   1HA   GLY  68          1HA       GLY  68  -9.378 -15.140  -1.062
  556   2HA   GLY  68          2HA       GLY  68  -8.802 -15.449  -2.695
  557    H    GLN  69           H        GLN  69  -8.977 -12.426  -0.866
  558    HA   GLN  69           HA       GLN  69 -11.041 -11.429  -2.678
  559   1HB   GLN  69          1HB       GLN  69 -11.064  -9.471  -1.054
  560   2HB   GLN  69          2HB       GLN  69 -11.596 -11.021  -0.414
  561   1HG   GLN  69          1HG       GLN  69  -9.032 -11.177   0.263
  562   2HG   GLN  69          2HG       GLN  69  -9.193  -9.421   0.222
  563   2HE2  GLN  69          2HE2      GLN  69  -9.216 -11.903   2.245
  564   1HE2  GLN  69          1HE2      GLN  69 -10.329 -11.344   3.443
  565    H    GLU  70           H        GLU  70  -8.837 -11.760  -4.063
  566    HA   GLU  70           HA       GLU  70  -6.963  -9.647  -4.039
  567   1HB   GLU  70          1HB       GLU  70  -7.752 -11.494  -6.297
  568   2HB   GLU  70          2HB       GLU  70  -6.314 -10.486  -6.263
  569   1HG   GLU  70          1HG       GLU  70  -5.482 -11.721  -4.335
  570   2HG   GLU  70          2HG       GLU  70  -6.933 -12.723  -4.347
  571    H    ASP  71           H        ASP  71 -10.118  -9.253  -4.514
  572    HA   ASP  71           HA       ASP  71 -10.356  -7.873  -6.949
  573   1HB   ASP  71          1HB       ASP  71 -12.300  -8.612  -5.644
  574   2HB   ASP  71          2HB       ASP  71 -11.889  -7.454  -4.388
  575    H    LEU  72           H        LEU  72  -9.598  -6.791  -3.687
  576    HA   LEU  72           HA       LEU  72  -9.302  -4.037  -4.328
  577   1HB   LEU  72          1HB       LEU  72  -8.197  -5.667  -2.036
  578   2HB   LEU  72          2HB       LEU  72  -8.185  -3.915  -2.120
  579    HG   LEU  72           HG       LEU  72 -10.743  -5.495  -2.220
  580   1HD1  LEU  72          1HD1      LEU  72  -8.997  -4.910   0.068
  581   2HD1  LEU  72          2HD1      LEU  72 -10.687  -4.454   0.280
  582   3HD1  LEU  72          3HD1      LEU  72 -10.267  -6.122  -0.116
  583   1HD2  LEU  72          1HD2      LEU  72 -10.512  -3.041  -2.961
  584   2HD2  LEU  72          2HD2      LEU  72 -11.803  -3.461  -1.834
  585   3HD2  LEU  72          3HD2      LEU  72 -10.329  -2.694  -1.240
  586    H    LEU  73           H        LEU  73  -7.176  -6.810  -4.214
  587    HA   LEU  73           HA       LEU  73  -4.688  -5.638  -4.336
  588   1HB   LEU  73          1HB       LEU  73  -5.840  -8.172  -4.546
  589   2HB   LEU  73          2HB       LEU  73  -4.935  -7.966  -6.013
  590    HG   LEU  73           HG       LEU  73  -3.510  -9.067  -4.462
  591   1HD1  LEU  73          1HD1      LEU  73  -2.526  -7.175  -5.797
  592   2HD1  LEU  73          2HD1      LEU  73  -2.664  -6.187  -4.342
  593   3HD1  LEU  73          3HD1      LEU  73  -1.642  -7.625  -4.338
  594   1HD2  LEU  73          1HD2      LEU  73  -4.808  -8.461  -2.465
  595   2HD2  LEU  73          2HD2      LEU  73  -3.072  -8.248  -2.241
  596   3HD2  LEU  73          3HD2      LEU  73  -4.102  -6.845  -2.523
  597    H    SER  74           H        SER  74  -7.006  -6.356  -6.893
  598    HA   SER  74           HA       SER  74  -5.441  -5.818  -9.126
  599   1HB   SER  74          1HB       SER  74  -7.691  -6.814  -9.235
  600   2HB   SER  74          2HB       SER  74  -8.394  -5.273  -8.745
  601    HG   SER  74           HG       SER  74  -8.001  -4.450 -10.682
  602    H    GLU  75           H        GLU  75  -7.284  -3.642  -7.041
  603    HA   GLU  75           HA       GLU  75  -6.863  -1.298  -8.583
  604   1HB   GLU  75          1HB       GLU  75  -7.416  -1.581  -5.620
  605   2HB   GLU  75          2HB       GLU  75  -7.557  -0.096  -6.547
  606   1HG   GLU  75          1HG       GLU  75  -9.330  -1.104  -7.892
  607   2HG   GLU  75          2HG       GLU  75  -9.189  -2.591  -6.955
  608    H    PHE  76           H        PHE  76  -5.117  -2.855  -5.961
  609    HA   PHE  76           HA       PHE  76  -3.271  -0.858  -5.354
  610   1HB   PHE  76          1HB       PHE  76  -3.578  -2.914  -4.024
  611   2HB   PHE  76          2HB       PHE  76  -2.857  -3.855  -5.321
  612    HD1  PHE  76           HD1      PHE  76  -1.774  -0.581  -3.939
  613    HD2  PHE  76           HD2      PHE  76  -0.927  -4.727  -4.385
  614    HE1  PHE  76           HE1      PHE  76   0.450  -0.228  -2.951
  615    HE2  PHE  76           HE2      PHE  76   1.299  -4.384  -3.394
  616    HZ   PHE  76           HZ       PHE  76   1.988  -2.130  -2.679
  617    H    GLY  77           H        GLY  77  -3.112  -3.456  -7.763
  618   1HA   GLY  77          1HA       GLY  77  -1.824  -3.715  -9.642
  619   2HA   GLY  77          2HA       GLY  77  -0.523  -2.991  -8.706
  620    H    GLN  78           H        GLN  78  -3.559  -1.416  -9.503
  621    HA   GLN  78           HA       GLN  78  -2.905  -0.082 -11.828
  622   1HB   GLN  78          1HB       GLN  78  -4.508   1.062  -9.533
  623   2HB   GLN  78          2HB       GLN  78  -4.598   1.553 -11.218
  624   1HG   GLN  78          1HG       GLN  78  -5.331  -1.175 -10.186
  625   2HG   GLN  78          2HG       GLN  78  -6.475   0.126 -10.504
  626   2HE2  GLN  78          2HE2      GLN  78  -7.489  -0.083 -12.343
  627   1HE2  GLN  78          1HE2      GLN  78  -6.863  -0.795 -13.786
  628    H    PHE  79           H        PHE  79  -2.235   0.849  -8.484
  629    HA   PHE  79           HA       PHE  79  -0.998   3.329  -9.157
  630   1HB   PHE  79          1HB       PHE  79  -0.935   1.667  -6.632
  631   2HB   PHE  79          2HB       PHE  79  -0.180   3.249  -6.776
  632    HD1  PHE  79           HD1      PHE  79  -3.507   1.851  -7.775
  633    HD2  PHE  79           HD2      PHE  79  -1.355   4.847  -5.652
  634    HE1  PHE  79           HE1      PHE  79  -5.628   2.922  -7.149
  635    HE2  PHE  79           HE2      PHE  79  -3.476   5.922  -5.019
  636    HZ   PHE  79           HZ       PHE  79  -5.615   4.961  -5.770
  637    H    LEU  80           H        LEU  80   0.214   0.108  -8.315
  638    HA   LEU  80           HA       LEU  80   2.946   0.703  -8.319
  639   1HB   LEU  80          1HB       LEU  80   1.588  -1.881  -9.090
  640   2HB   LEU  80          2HB       LEU  80   3.285  -1.705  -8.686
  641    HG   LEU  80           HG       LEU  80   0.978  -1.220  -6.797
  642   1HD1  LEU  80          1HD1      LEU  80   1.575  -3.618  -7.558
  643   2HD1  LEU  80          2HD1      LEU  80   3.009  -3.402  -6.556
  644   3HD1  LEU  80          3HD1      LEU  80   1.405  -3.282  -5.836
  645   1HD2  LEU  80          1HD2      LEU  80   3.282   0.052  -6.595
  646   2HD2  LEU  80          2HD2      LEU  80   2.469  -0.607  -5.175
  647   3HD2  LEU  80          3HD2      LEU  80   3.806  -1.487  -5.914
  648    HA   PRO  81           HA       PRO  81   3.850   1.517 -12.572
  649   1HB   PRO  81          1HB       PRO  81   6.478   0.735 -12.597
  650   2HB   PRO  81          2HB       PRO  81   5.914   2.284 -11.963
  651   1HG   PRO  81          1HG       PRO  81   6.599  -0.230 -10.494
  652   2HG   PRO  81          2HG       PRO  81   6.967   1.453 -10.071
  653   1HD   PRO  81          1HD       PRO  81   4.959   0.095  -8.902
  654   2HD   PRO  81          2HD       PRO  81   4.849   1.837  -9.231
  655    H    GLU  82           H        GLU  82   3.354   0.357 -14.308
  656    HA   GLU  82           HA       GLU  82   3.516  -2.534 -14.232
  657   1HB   GLU  82          1HB       GLU  82   2.448  -0.680 -16.369
  658   2HB   GLU  82          2HB       GLU  82   2.289  -2.430 -16.363
  659   1HG   GLU  82          1HG       GLU  82   1.134  -0.570 -14.298
  660   2HG   GLU  82          2HG       GLU  82   0.245  -1.298 -15.635
  661    H    ALA  83           H        ALA  83   6.032  -1.923 -14.142
  662    HA   ALA  83           HA       ALA  83   7.053  -2.711 -16.731
  663   1HB   ALA  83          1HB       ALA  83   8.697  -0.873 -16.856
  664   2HB   ALA  83          2HB       ALA  83   7.903  -0.100 -15.484
  665   3HB   ALA  83          3HB       ALA  83   7.032  -0.311 -17.004
  666    H    LYS  84           H        LYS  84   7.077  -4.325 -14.650
  667    HA   LYS  84           HA       LYS  84   9.301  -4.077 -12.905
  668   1HB   LYS  84          1HB       LYS  84   8.853  -6.428 -12.342
  669   2HB   LYS  84          2HB       LYS  84   7.381  -5.468 -12.338
  670   1HG   LYS  84          1HG       LYS  84   6.832  -6.337 -14.573
  671   2HG   LYS  84          2HG       LYS  84   8.283  -7.340 -14.516
  672   1HD   LYS  84          1HD       LYS  84   7.407  -8.456 -12.504
  673   2HD   LYS  84          2HD       LYS  84   5.941  -7.481 -12.618
  674   1HE   LYS  84          1HE       LYS  84   5.577  -9.692 -13.563
  675   2HE   LYS  84          2HE       LYS  84   5.468  -8.455 -14.814
  676   1HZ   LYS  84          1HZ       LYS  84   7.966  -9.958 -14.304
  677   2HZ   LYS  84          2HZ       LYS  84   6.781 -10.525 -15.368
  678   3HZ   LYS  84          3HZ       LYS  84   7.550  -9.050 -15.670
  679    H    ARG  85           H        ARG  85  10.202  -6.913 -13.343
  680    HA   ARG  85           HA       ARG  85  12.456  -6.329 -14.954
  681   1HB   ARG  85          1HB       ARG  85  12.573  -7.929 -13.116
  682   2HB   ARG  85          2HB       ARG  85  11.428  -8.982 -13.934
  683   1HG   ARG  85          1HG       ARG  85  13.022  -9.368 -15.723
  684   2HG   ARG  85          2HG       ARG  85  14.164  -8.258 -14.965
  685   1HD   ARG  85          1HD       ARG  85  14.730 -10.586 -14.484
  686   2HD   ARG  85          2HD       ARG  85  14.305  -9.709 -13.015
  687    HE   ARG  85           HE       ARG  85  12.656 -11.237 -12.698
  688   1HH1  ARG  85          1HH1      ARG  85  13.315 -11.081 -16.121
  689   2HH1  ARG  85          2HH1      ARG  85  12.167 -12.313 -16.525
  690   1HH2  ARG  85          1HH2      ARG  85  11.147 -12.858 -13.226
  691   2HH2  ARG  85          2HH2      ARG  85  10.938 -13.323 -14.881
  692    H1   ASN   1           H1       ASN   1   4.622   6.621  -5.294
  693    H2   ASN   1           H2       ASN   1   4.574   6.756  -6.979
  694    H3   ASN   1           H3       ASN   1   3.969   8.005  -6.012
  695    HA   ASN   1           HA       ASN   1   1.996   7.071  -6.408
  696   1HB   ASN   1          1HB       ASN   1   3.495   4.480  -6.856
  697   2HB   ASN   1          2HB       ASN   1   1.773   4.713  -7.137
  698   2HD2  ASN   1          2HD2      ASN   1   3.136   7.569  -7.937
  699   1HD2  ASN   1          1HD2      ASN   1   3.398   7.311  -9.623
  700    H    ILE   2           H        ILE   2   4.163   4.972  -4.552
  701    HA   ILE   2           HA       ILE   2   2.203   3.919  -2.824
  702    HB   ILE   2           HB       ILE   2   5.174   4.250  -2.399
  703   1HG1  ILE   2          1HG1      ILE   2   4.589   2.846  -4.323
  704   2HG1  ILE   2          2HG1      ILE   2   5.279   1.875  -3.029
  705   1HG2  ILE   2          1HG2      ILE   2   3.058   3.196  -0.659
  706   2HG2  ILE   2          2HG2      ILE   2   4.459   2.141  -0.850
  707   3HG2  ILE   2          3HG2      ILE   2   4.670   3.789  -0.259
  708   1HD1  ILE   2          1HD1      ILE   2   2.624   1.699  -2.479
  709   2HD1  ILE   2          2HD1      ILE   2   2.622   1.788  -4.240
  710   3HD1  ILE   2          3HD1      ILE   2   3.544   0.526  -3.422
  711    H    GLN   3           H        GLN   3   4.202   6.806  -2.672
  712    HA   GLN   3           HA       GLN   3   3.812   7.541  -0.024
  713   1HB   GLN   3          1HB       GLN   3   5.396   8.636  -1.585
  714   2HB   GLN   3          2HB       GLN   3   4.040   9.370  -2.424
  715   1HG   GLN   3          1HG       GLN   3   4.452   9.830   0.500
  716   2HG   GLN   3          2HG       GLN   3   5.358  10.751  -0.695
  717   2HE2  GLN   3          2HE2      GLN   3   2.670  10.235  -2.322
  718   1HE2  GLN   3          1HE2      GLN   3   1.708  11.577  -1.818
  719    H    MET   4           H        MET   4   1.701   7.806  -2.794
  720    HA   MET   4           HA       MET   4  -0.150   9.645  -1.754
  721   1HB   MET   4          1HB       MET   4  -0.623   7.387  -3.707
  722   2HB   MET   4          2HB       MET   4  -1.716   8.735  -3.421
  723   1HG   MET   4          1HG       MET   4   1.080   8.938  -4.515
  724   2HG   MET   4          2HG       MET   4  -0.411   9.056  -5.447
  725   1HE   MET   4          1HE       MET   4   1.903  11.195  -5.544
  726   2HE   MET   4          2HE       MET   4   0.414  11.442  -6.455
  727   3HE   MET   4          3HE       MET   4   1.039  12.729  -5.423
  728    H    LEU   5           H        LEU   5  -0.075   6.089  -1.610
  729    HA   LEU   5           HA       LEU   5  -2.515   5.859  -0.179
  730   1HB   LEU   5          1HB       LEU   5  -0.205   3.929  -0.427
  731   2HB   LEU   5          2HB       LEU   5  -1.755   3.538   0.294
  732    HG   LEU   5           HG       LEU   5  -1.239   4.250  -2.593
  733   1HD1  LEU   5          1HD1      LEU   5  -1.408   1.769  -1.106
  734   2HD1  LEU   5          2HD1      LEU   5  -2.579   1.840  -2.424
  735   3HD1  LEU   5          3HD1      LEU   5  -0.861   2.065  -2.757
  736   1HD2  LEU   5          1HD2      LEU   5  -3.642   4.489  -1.015
  737   2HD2  LEU   5          2HD2      LEU   5  -3.347   4.952  -2.690
  738   3HD2  LEU   5          3HD2      LEU   5  -3.848   3.306  -2.308
  739    H    LEU   6           H        LEU   6   0.887   5.834   0.848
  740    HA   LEU   6           HA       LEU   6   0.474   5.382   3.575
  741   1HB   LEU   6          1HB       LEU   6   2.617   6.882   2.083
  742   2HB   LEU   6          2HB       LEU   6   2.666   6.671   3.823
  743    HG   LEU   6           HG       LEU   6   2.499   4.330   1.939
  744   1HD1  LEU   6          1HD1      LEU   6   4.544   5.961   1.696
  745   2HD1  LEU   6          2HD1      LEU   6   5.069   5.174   3.185
  746   3HD1  LEU   6          3HD1      LEU   6   4.781   4.213   1.732
  747   1HD2  LEU   6          1HD2      LEU   6   3.324   4.661   4.821
  748   2HD2  LEU   6          2HD2      LEU   6   1.887   3.840   4.213
  749   3HD2  LEU   6          3HD2      LEU   6   3.486   3.167   3.897
  750    H    GLU   7           H        GLU   7   0.639   8.396   1.748
  751    HA   GLU   7           HA       GLU   7   0.230  10.122   3.960
  752   1HB   GLU   7          1HB       GLU   7   1.247  10.877   1.853
  753   2HB   GLU   7          2HB       GLU   7  -0.264  10.573   1.007
  754   1HG   GLU   7          1HG       GLU   7  -1.357  12.276   2.427
  755   2HG   GLU   7          2HG       GLU   7   0.206  12.620   3.164
  756    H    ALA   8           H        ALA   8  -1.894   8.550   1.650
  757    HA   ALA   8           HA       ALA   8  -4.270   9.904   2.178
  758   1HB   ALA   8          1HB       ALA   8  -3.558   7.268   1.034
  759   2HB   ALA   8          2HB       ALA   8  -4.516   8.581   0.351
  760   3HB   ALA   8          3HB       ALA   8  -5.227   7.500   1.549
  761    H    ALA   9           H        ALA   9  -2.901   7.030   3.744
  762    HA   ALA   9           HA       ALA   9  -5.064   6.450   5.420
  763   1HB   ALA   9          1HB       ALA   9  -2.873   5.125   4.914
  764   2HB   ALA   9          2HB       ALA   9  -2.262   5.970   6.335
  765   3HB   ALA   9          3HB       ALA   9  -3.683   4.935   6.470
  766    H    ASP  10           H        ASP  10  -2.248   8.550   5.946
  767    HA   ASP  10           HA       ASP  10  -2.755   9.185   8.633
  768   1HB   ASP  10          1HB       ASP  10  -0.624   9.665   7.453
  769   2HB   ASP  10          2HB       ASP  10  -1.441  10.921   6.530
  770    H    TYR  11           H        TYR  11  -3.687  10.856   5.653
  771    HA   TYR  11           HA       TYR  11  -5.067  13.007   6.812
  772   1HB   TYR  11          1HB       TYR  11  -4.479  13.133   4.507
  773   2HB   TYR  11          2HB       TYR  11  -5.314  11.626   4.141
  774    HD1  TYR  11           HD1      TYR  11  -5.789  15.179   5.004
  775    HD2  TYR  11           HD2      TYR  11  -7.656  11.584   3.677
  776    HE1  TYR  11           HE1      TYR  11  -7.803  16.451   4.413
  777    HE2  TYR  11           HE2      TYR  11  -9.673  12.858   3.073
  778    HH   TYR  11           HH       TYR  11 -10.750  15.071   3.827
  779    H    LEU  12           H        LEU  12  -6.352  10.045   5.369
  780    HA   LEU  12           HA       LEU  12  -9.025  10.420   5.941
  781   1HB   LEU  12          1HB       LEU  12  -7.948   8.726   4.436
  782   2HB   LEU  12          2HB       LEU  12  -7.598   7.771   5.866
  783    HG   LEU  12           HG       LEU  12 -10.036   7.623   6.320
  784   1HD1  LEU  12          1HD1      LEU  12 -10.203   9.735   4.548
  785   2HD1  LEU  12          2HD1      LEU  12 -10.839   8.368   3.632
  786   3HD1  LEU  12          3HD1      LEU  12 -11.556   8.796   5.186
  787   1HD2  LEU  12          1HD2      LEU  12  -8.503   6.199   4.537
  788   2HD2  LEU  12          2HD2      LEU  12 -10.102   5.735   5.121
  789   3HD2  LEU  12          3HD2      LEU  12  -9.939   6.598   3.591
  790    H    GLU  13           H        GLU  13  -6.607   8.657   7.878
  791    HA   GLU  13           HA       GLU  13  -8.438   8.015   9.960
  792   1HB   GLU  13          1HB       GLU  13  -5.418   8.050   9.898
  793   2HB   GLU  13          2HB       GLU  13  -6.365   7.450  11.252
  794   1HG   GLU  13          1HG       GLU  13  -6.491   6.357   8.451
  795   2HG   GLU  13          2HG       GLU  13  -5.534   5.670   9.761

  No H/Q in entry =         795
  Start of MODEL    8
    1    H1   GLU   1           H1       GLU   1 -11.124  21.960  -6.585
    2    H2   GLU   1           H2       GLU   1 -11.316  23.099  -7.822
    3    H3   GLU   1           H3       GLU   1 -11.615  21.461  -8.126
    4    HA   GLU   1           HA       GLU   1  -9.519  21.066  -8.625
    5   1HB   GLU   1          1HB       GLU   1  -9.232  24.045  -8.168
    6   2HB   GLU   1          2HB       GLU   1  -8.105  23.045  -9.074
    7   1HG   GLU   1          1HG       GLU   1  -9.852  22.539 -10.699
    8   2HG   GLU   1          2HG       GLU   1 -10.988  23.534  -9.788
    9    H    SER   2           H        SER   2  -7.262  22.883  -7.572
   10    HA   SER   2           HA       SER   2  -5.694  22.823  -5.935
   11   1HB   SER   2          1HB       SER   2  -7.416  23.850  -4.542
   12   2HB   SER   2          2HB       SER   2  -8.081  22.263  -4.161
   13    HG   SER   2           HG       SER   2  -5.440  23.100  -3.540
   14    H    ASP   3           H        ASP   3  -7.783  20.430  -4.383
   15    HA   ASP   3           HA       ASP   3  -5.669  18.585  -4.038
   16   1HB   ASP   3          1HB       ASP   3  -8.661  18.168  -3.846
   17   2HB   ASP   3          2HB       ASP   3  -7.444  17.032  -3.273
   18    H    SER   4           H        SER   4  -4.869  17.092  -5.370
   19    HA   SER   4           HA       SER   4  -5.755  16.825  -8.027
   20   1HB   SER   4          1HB       SER   4  -3.963  14.891  -6.648
   21   2HB   SER   4          2HB       SER   4  -3.930  15.417  -8.312
   22    HG   SER   4           HG       SER   4  -3.462  17.582  -7.294
   23    H    VAL   5           H        VAL   5  -6.734  15.131  -9.050
   24    HA   VAL   5           HA       VAL   5  -8.761  13.750  -7.686
   25    HB   VAL   5           HB       VAL   5  -7.506  13.087 -10.356
   26   1HG1  VAL   5          1HG1      VAL   5  -8.743  11.196  -9.411
   27   2HG1  VAL   5          2HG1      VAL   5 -10.159  12.227  -9.202
   28   3HG1  VAL   5          3HG1      VAL   5  -9.565  11.863 -10.823
   29   1HG2  VAL   5          1HG2      VAL   5  -9.615  15.002  -9.496
   30   2HG2  VAL   5          2HG2      VAL   5  -8.369  15.175 -10.732
   31   3HG2  VAL   5          3HG2      VAL   5  -9.798  14.193 -11.052
   32    H    GLU   6           H        GLU   6  -5.516  12.816  -8.675
   33    HA   GLU   6           HA       GLU   6  -5.606  10.096  -8.089
   34   1HB   GLU   6          1HB       GLU   6  -3.257  11.972  -7.790
   35   2HB   GLU   6          2HB       GLU   6  -3.170  10.220  -7.897
   36   1HG   GLU   6          1HG       GLU   6  -4.090  10.309 -10.157
   37   2HG   GLU   6          2HG       GLU   6  -4.178  12.066 -10.050
   38    H    PHE   7           H        PHE   7  -5.150  12.875  -5.989
   39    HA   PHE   7           HA       PHE   7  -4.249  11.530  -3.693
   40   1HB   PHE   7          1HB       PHE   7  -4.178  13.978  -3.920
   41   2HB   PHE   7          2HB       PHE   7  -5.936  14.038  -3.883
   42    HD1  PHE   7           HD1      PHE   7  -3.601  12.060  -1.763
   43    HD2  PHE   7           HD2      PHE   7  -6.452  15.215  -1.961
   44    HE1  PHE   7           HE1      PHE   7  -3.544  12.261   0.689
   45    HE2  PHE   7           HE2      PHE   7  -6.399  15.422   0.490
   46    HZ   PHE   7           HZ       PHE   7  -4.945  13.944   1.818
   47    H    ASN   8           H        ASN   8  -7.556  12.673  -4.418
   48    HA   ASN   8           HA       ASN   8  -8.797  11.255  -2.318
   49   1HB   ASN   8          1HB       ASN   8  -9.939  12.227  -4.955
   50   2HB   ASN   8          2HB       ASN   8 -10.901  11.649  -3.597
   51   2HD2  ASN   8          2HD2      ASN   8  -9.870  14.333  -5.103
   52   1HD2  ASN   8          1HD2      ASN   8  -9.909  15.457  -3.791
   53    H    ASN   9           H        ASN   9  -7.849  10.459  -5.535
   54    HA   ASN   9           HA       ASN   9  -9.293   8.128  -6.028
   55   1HB   ASN   9          1HB       ASN   9  -7.861   9.395  -7.650
   56   2HB   ASN   9          2HB       ASN   9  -6.445   8.742  -6.855
   57   2HD2  ASN   9          2HD2      ASN   9  -7.735   8.528  -9.558
   58   1HD2  ASN   9          1HD2      ASN   9  -7.689   6.843  -9.879
   59    H    ALA  10           H        ALA  10  -6.215   8.661  -4.379
   60    HA   ALA  10           HA       ALA  10  -5.719   5.908  -3.820
   61   1HB   ALA  10          1HB       ALA  10  -4.131   7.078  -2.061
   62   2HB   ALA  10          2HB       ALA  10  -3.757   7.085  -3.785
   63   3HB   ALA  10          3HB       ALA  10  -4.492   8.503  -3.035
   64    H    ILE  11           H        ILE  11  -7.170   8.600  -2.055
   65    HA   ILE  11           HA       ILE  11  -7.354   7.489   0.478
   66    HB   ILE  11           HB       ILE  11  -9.454   9.214  -0.835
   67   1HG1  ILE  11          1HG1      ILE  11  -7.253  10.267  -0.973
   68   2HG1  ILE  11          2HG1      ILE  11  -8.266  11.114   0.185
   69   1HG2  ILE  11          1HG2      ILE  11  -8.801   8.684   2.056
   70   2HG2  ILE  11          2HG2      ILE  11  -9.953   9.892   1.485
   71   3HG2  ILE  11          3HG2      ILE  11 -10.253   8.177   1.190
   72   1HD1  ILE  11          1HD1      ILE  11  -6.656   9.033   1.412
   73   2HD1  ILE  11          2HD1      ILE  11  -5.692  10.263   0.596
   74   3HD1  ILE  11          3HD1      ILE  11  -6.844  10.730   1.847
   75    H    SER  12           H        SER  12  -9.590   7.169  -2.262
   76    HA   SER  12           HA       SER  12 -11.568   5.703  -0.949
   77   1HB   SER  12          1HB       SER  12 -12.254   4.943  -3.202
   78   2HB   SER  12          2HB       SER  12 -11.927   6.674  -3.167
   79    HG   SER  12           HG       SER  12 -10.756   4.748  -4.643
   80    H    TYR  13           H        TYR  13  -8.499   4.681  -2.339
   81    HA   TYR  13           HA       TYR  13  -8.991   1.904  -2.342
   82   1HB   TYR  13          1HB       TYR  13  -7.060   2.959  -3.486
   83   2HB   TYR  13          2HB       TYR  13  -6.362   3.350  -1.919
   84    HD1  TYR  13           HD1      TYR  13  -7.880   0.267  -3.409
   85    HD2  TYR  13           HD2      TYR  13  -4.547   2.024  -1.434
   86    HE1  TYR  13           HE1      TYR  13  -6.768  -1.924  -3.350
   87    HE2  TYR  13           HE2      TYR  13  -3.423  -0.161  -1.371
   88    HH   TYR  13           HH       TYR  13  -4.977  -3.064  -2.710
   89    H    VAL  14           H        VAL  14  -7.362   3.996   0.011
   90    HA   VAL  14           HA       VAL  14  -6.992   2.026   2.002
   91    HB   VAL  14           HB       VAL  14  -7.282   5.010   2.404
   92   1HG1  VAL  14          1HG1      VAL  14  -7.415   3.726   4.474
   93   2HG1  VAL  14          2HG1      VAL  14  -5.902   2.910   4.077
   94   3HG1  VAL  14          3HG1      VAL  14  -5.912   4.645   4.397
   95   1HG2  VAL  14          1HG2      VAL  14  -5.327   3.578   0.940
   96   2HG2  VAL  14          2HG2      VAL  14  -5.343   5.291   1.358
   97   3HG2  VAL  14          3HG2      VAL  14  -4.570   4.128   2.436
   98    H    ASN  15           H        ASN  15  -9.567   4.336   1.390
   99    HA   ASN  15           HA       ASN  15 -11.050   3.964   3.737
  100   1HB   ASN  15          1HB       ASN  15 -11.403   5.856   2.231
  101   2HB   ASN  15          2HB       ASN  15 -11.972   4.775   0.974
  102   2HD2  ASN  15          2HD2      ASN  15 -12.930   6.861   3.292
  103   1HD2  ASN  15          1HD2      ASN  15 -14.536   6.286   3.569
  104    H    LYS  16           H        LYS  16 -11.278   2.382   0.570
  105    HA   LYS  16           HA       LYS  16 -13.496   0.750   1.212
  106   1HB   LYS  16          1HB       LYS  16 -12.825   1.184  -1.104
  107   2HB   LYS  16          2HB       LYS  16 -11.312   0.328  -0.841
  108   1HG   LYS  16          1HG       LYS  16 -12.560  -1.743  -0.446
  109   2HG   LYS  16          2HG       LYS  16 -14.070  -0.878  -0.735
  110   1HD   LYS  16          1HD       LYS  16 -13.352  -0.365  -3.011
  111   2HD   LYS  16          2HD       LYS  16 -11.822  -1.197  -2.723
  112   1HE   LYS  16          1HE       LYS  16 -13.055  -3.287  -2.328
  113   2HE   LYS  16          2HE       LYS  16 -14.568  -2.445  -2.659
  114   1HZ   LYS  16          1HZ       LYS  16 -12.331  -2.758  -4.587
  115   2HZ   LYS  16          2HZ       LYS  16 -13.751  -3.674  -4.587
  116   3HZ   LYS  16          3HZ       LYS  16 -13.819  -2.014  -4.900
  117    H    ILE  17           H        ILE  17 -10.011   0.294   1.478
  118    HA   ILE  17           HA       ILE  17 -10.009  -2.428   2.159
  119    HB   ILE  17           HB       ILE  17  -8.087  -0.218   2.887
  120   1HG1  ILE  17          1HG1      ILE  17  -7.906  -2.443   0.843
  121   2HG1  ILE  17          2HG1      ILE  17  -8.327  -0.774   0.479
  122   1HG2  ILE  17          1HG2      ILE  17  -8.272  -2.760   4.070
  123   2HG2  ILE  17          2HG2      ILE  17  -6.894  -2.816   2.971
  124   3HG2  ILE  17          3HG2      ILE  17  -6.970  -1.582   4.228
  125   1HD1  ILE  17          1HD1      ILE  17  -5.737  -1.485   1.802
  126   2HD1  ILE  17          2HD1      ILE  17  -5.934  -1.524   0.050
  127   3HD1  ILE  17          3HD1      ILE  17  -6.170  -0.014   0.931
  128    H    LYS  18           H        LYS  18 -10.316   0.489   4.120
  129    HA   LYS  18           HA       LYS  18 -10.269  -0.768   6.651
  130   1HB   LYS  18          1HB       LYS  18  -9.936   1.653   6.312
  131   2HB   LYS  18          2HB       LYS  18 -11.608   1.813   5.807
  132   1HG   LYS  18          1HG       LYS  18 -12.329   1.059   8.038
  133   2HG   LYS  18          2HG       LYS  18 -10.638   0.988   8.537
  134   1HD   LYS  18          1HD       LYS  18 -12.074   3.462   7.573
  135   2HD   LYS  18          2HD       LYS  18 -11.741   3.066   9.261
  136   1HE   LYS  18          1HE       LYS  18  -9.341   3.117   8.801
  137   2HE   LYS  18          2HE       LYS  18  -9.668   3.493   7.110
  138   1HZ   LYS  18          1HZ       LYS  18 -11.029   5.334   8.739
  139   2HZ   LYS  18          2HZ       LYS  18  -9.416   5.268   9.242
  140   3HZ   LYS  18          3HZ       LYS  18  -9.785   5.627   7.631
  141    H    THR  19           H        THR  19 -12.968   0.487   4.741
  142    HA   THR  19           HA       THR  19 -15.035  -0.472   6.368
  143    HB   THR  19           HB       THR  19 -15.325   1.240   4.569
  144    HG1  THR  19           HG1      THR  19 -17.419   0.588   4.154
  145   1HG2  THR  19          1HG2      THR  19 -15.065  -1.184   2.802
  146   2HG2  THR  19          2HG2      THR  19 -15.857   0.301   2.276
  147   3HG2  THR  19          3HG2      THR  19 -14.152   0.324   2.727
  148    H    ARG  20           H        ARG  20 -13.146  -2.062   3.915
  149    HA   ARG  20           HA       ARG  20 -14.885  -4.238   3.443
  150   1HB   ARG  20          1HB       ARG  20 -13.091  -3.728   1.895
  151   2HB   ARG  20          2HB       ARG  20 -11.885  -4.005   3.148
  152   1HG   ARG  20          1HG       ARG  20 -12.100  -5.863   1.521
  153   2HG   ARG  20          2HG       ARG  20 -12.378  -6.345   3.196
  154   1HD   ARG  20          1HD       ARG  20 -14.779  -6.242   2.841
  155   2HD   ARG  20          2HD       ARG  20 -14.525  -5.722   1.176
  156    HE   ARG  20           HE       ARG  20 -14.296  -7.915   0.626
  157   1HH1  ARG  20          1HH1      ARG  20 -13.429  -7.551   3.984
  158   2HH1  ARG  20          2HH1      ARG  20 -13.128  -9.240   4.221
  159   1HH2  ARG  20          1HH2      ARG  20 -13.895 -10.137   0.931
  160   2HH2  ARG  20          2HH2      ARG  20 -13.389 -10.707   2.486
  161    H    PHE  21           H        PHE  21 -11.963  -4.011   5.449
  162    HA   PHE  21           HA       PHE  21 -12.736  -6.461   6.830
  163   1HB   PHE  21          1HB       PHE  21 -10.175  -4.863   6.940
  164   2HB   PHE  21          2HB       PHE  21 -10.466  -6.360   7.810
  165    HD1  PHE  21           HD1      PHE  21 -10.270  -4.930   4.390
  166    HD2  PHE  21           HD2      PHE  21 -10.040  -8.414   6.818
  167    HE1  PHE  21           HE1      PHE  21  -9.434  -6.214   2.464
  168    HE2  PHE  21           HE2      PHE  21  -9.194  -9.702   4.908
  169    HZ   PHE  21           HZ       PHE  21  -8.893  -8.604   2.720
  170    H    LEU  22           H        LEU  22 -14.427  -4.372   7.492
  171    HA   LEU  22           HA       LEU  22 -13.730  -2.750   9.623
  172   1HB   LEU  22          1HB       LEU  22 -16.338  -4.125   9.003
  173   2HB   LEU  22          2HB       LEU  22 -16.164  -2.967  10.307
  174    HG   LEU  22           HG       LEU  22 -15.664  -2.366   7.391
  175   1HD1  LEU  22          1HD1      LEU  22 -18.020  -1.816   9.180
  176   2HD1  LEU  22          2HD1      LEU  22 -17.741  -0.986   7.650
  177   3HD1  LEU  22          3HD1      LEU  22 -17.997  -2.730   7.673
  178   1HD2  LEU  22          1HD2      LEU  22 -15.545  -0.717   9.895
  179   2HD2  LEU  22          2HD2      LEU  22 -14.336  -0.885   8.623
  180   3HD2  LEU  22          3HD2      LEU  22 -15.822   0.013   8.314
  181    H    ASP  23           H        ASP  23 -14.804  -6.126   9.680
  182    HA   ASP  23           HA       ASP  23 -14.660  -6.306  12.544
  183   1HB   ASP  23          1HB       ASP  23 -16.275  -7.660  11.315
  184   2HB   ASP  23          2HB       ASP  23 -14.969  -8.454  10.442
  185    H    HIS  24           H        HIS  24 -12.518  -6.699   9.898
  186    HA   HIS  24           HA       HIS  24 -10.534  -8.045  11.592
  187   1HB   HIS  24          1HB       HIS  24 -10.652  -7.806   8.578
  188   2HB   HIS  24          2HB       HIS  24  -9.435  -8.668   9.499
  189    HD1  HIS  24           HD1      HIS  24 -11.147 -10.145   7.408
  190    HD2  HIS  24           HD2      HIS  24 -11.975  -9.928  11.456
  191    HE1  HIS  24           HE1      HIS  24 -12.589 -12.150   7.899
  192    HE2  HIS  24           HE2      HIS  24 -13.089 -11.999  10.367
  193    HA   PRO  25           HA       PRO  25  -9.080  -3.607  11.105
  194   1HB   PRO  25          1HB       PRO  25  -8.222  -3.348  13.658
  195   2HB   PRO  25          2HB       PRO  25  -9.874  -2.984  13.157
  196   1HG   PRO  25          1HG       PRO  25  -8.794  -5.464  14.449
  197   2HG   PRO  25          2HG       PRO  25 -10.283  -4.570  14.816
  198   1HD   PRO  25          1HD       PRO  25 -10.314  -6.813  13.334
  199   2HD   PRO  25          2HD       PRO  25 -11.416  -5.461  13.002
  200    H    GLU  26           H        GLU  26  -7.646  -6.400  12.722
  201    HA   GLU  26           HA       GLU  26  -5.001  -5.629  12.857
  202   1HB   GLU  26          1HB       GLU  26  -4.448  -8.032  12.782
  203   2HB   GLU  26          2HB       GLU  26  -5.794  -7.689  13.860
  204   1HG   GLU  26          1HG       GLU  26  -7.360  -8.429  12.135
  205   2HG   GLU  26          2HG       GLU  26  -6.005  -8.786  11.066
  206    H    ILE  27           H        ILE  27  -6.809  -6.774  10.074
  207    HA   ILE  27           HA       ILE  27  -4.632  -7.262   8.342
  208    HB   ILE  27           HB       ILE  27  -7.158  -6.162   7.219
  209   1HG1  ILE  27          1HG1      ILE  27  -7.749  -7.607   9.234
  210   2HG1  ILE  27          2HG1      ILE  27  -8.480  -8.045   7.703
  211   1HG2  ILE  27          1HG2      ILE  27  -5.283  -8.406   6.535
  212   2HG2  ILE  27          2HG2      ILE  27  -6.833  -8.182   5.725
  213   3HG2  ILE  27          3HG2      ILE  27  -5.601  -6.925   5.632
  214   1HD1  ILE  27          1HD1      ILE  27  -6.016  -9.391   8.747
  215   2HD1  ILE  27          2HD1      ILE  27  -7.653  -9.924   9.149
  216   3HD1  ILE  27          3HD1      ILE  27  -7.109  -9.929   7.467
  217    H    TYR  28           H        TYR  28  -6.650  -4.415   8.894
  218    HA   TYR  28           HA       TYR  28  -5.691  -2.701   6.960
  219   1HB   TYR  28          1HB       TYR  28  -7.625  -2.268   8.429
  220   2HB   TYR  28          2HB       TYR  28  -6.524  -1.991   9.766
  221    HD1  TYR  28           HD1      TYR  28  -7.155  -0.773   6.300
  222    HD2  TYR  28           HD2      TYR  28  -5.956   0.191  10.263
  223    HE1  TYR  28           HE1      TYR  28  -7.022   1.604   5.674
  224    HE2  TYR  28           HE2      TYR  28  -5.825   2.569   9.654
  225    HH   TYR  28           HH       TYR  28  -6.123   3.640   6.352
  226    H    ARG  29           H        ARG  29  -4.492  -3.112  10.278
  227    HA   ARG  29           HA       ARG  29  -2.447  -1.217  10.173
  228   1HB   ARG  29          1HB       ARG  29  -2.711  -3.759  11.771
  229   2HB   ARG  29          2HB       ARG  29  -1.464  -2.556  12.050
  230   1HG   ARG  29          1HG       ARG  29  -4.425  -2.046  12.219
  231   2HG   ARG  29          2HG       ARG  29  -3.367  -2.353  13.594
  232   1HD   ARG  29          1HD       ARG  29  -3.151  -0.047  11.661
  233   2HD   ARG  29          2HD       ARG  29  -3.767   0.038  13.311
  234    HE   ARG  29           HE       ARG  29  -1.066   0.168  12.529
  235   1HH1  ARG  29          1HH1      ARG  29  -3.104  -1.246  14.978
  236   2HH1  ARG  29          2HH1      ARG  29  -1.848  -1.304  16.169
  237   1HH2  ARG  29          1HH2      ARG  29   0.590   0.095  14.093
  238   2HH2  ARG  29          2HH2      ARG  29   0.249  -0.541  15.668
  239    H    SER  30           H        SER  30  -2.216  -4.743   9.742
  240    HA   SER  30           HA       SER  30   0.475  -4.945   9.193
  241   1HB   SER  30          1HB       SER  30  -1.004  -6.888   9.504
  242   2HB   SER  30          2HB       SER  30  -1.750  -6.570   7.938
  243    HG   SER  30           HG       SER  30   0.101  -8.167   8.149
  244    H    PHE  31           H        PHE  31  -2.145  -4.442   6.825
  245    HA   PHE  31           HA       PHE  31  -0.639  -4.378   4.505
  246   1HB   PHE  31          1HB       PHE  31  -3.015  -4.370   4.325
  247   2HB   PHE  31          2HB       PHE  31  -3.153  -2.899   5.283
  248    HD1  PHE  31           HD1      PHE  31  -1.454  -4.036   2.152
  249    HD2  PHE  31           HD2      PHE  31  -3.651  -0.985   4.149
  250    HE1  PHE  31           HE1      PHE  31  -1.455  -2.691   0.091
  251    HE2  PHE  31           HE2      PHE  31  -3.657   0.362   2.090
  252    HZ   PHE  31           HZ       PHE  31  -2.556  -0.490   0.059
  253    H    LEU  32           H        LEU  32  -1.508  -1.662   6.631
  254    HA   LEU  32           HA       LEU  32  -0.178   0.339   5.204
  255   1HB   LEU  32          1HB       LEU  32  -0.730   0.152   8.162
  256   2HB   LEU  32          2HB       LEU  32  -0.213   1.607   7.335
  257    HG   LEU  32           HG       LEU  32  -2.805   0.133   6.852
  258   1HD1  LEU  32          1HD1      LEU  32  -2.023   2.412   8.570
  259   2HD1  LEU  32          2HD1      LEU  32  -3.546   2.548   7.692
  260   3HD1  LEU  32          3HD1      LEU  32  -3.282   1.196   8.794
  261   1HD2  LEU  32          1HD2      LEU  32  -1.403   2.305   5.430
  262   2HD2  LEU  32          2HD2      LEU  32  -2.554   1.112   4.830
  263   3HD2  LEU  32          3HD2      LEU  32  -3.130   2.532   5.702
  264    H    GLU  33           H        GLU  33   0.967  -1.914   7.650
  265    HA   GLU  33           HA       GLU  33   3.501  -0.755   8.089
  266   1HB   GLU  33          1HB       GLU  33   2.584  -2.462   9.583
  267   2HB   GLU  33          2HB       GLU  33   2.621  -3.648   8.287
  268   1HG   GLU  33          1HG       GLU  33   4.465  -4.026   9.773
  269   2HG   GLU  33          2HG       GLU  33   5.073  -3.463   8.218
  270    H    ILE  34           H        ILE  34   2.264  -2.972   5.658
  271    HA   ILE  34           HA       ILE  34   4.703  -3.766   4.512
  272    HB   ILE  34           HB       ILE  34   2.059  -3.391   3.120
  273   1HG1  ILE  34          1HG1      ILE  34   3.218  -5.804   4.530
  274   2HG1  ILE  34          2HG1      ILE  34   1.891  -4.809   5.124
  275   1HG2  ILE  34          1HG2      ILE  34   4.372  -3.782   1.883
  276   2HG2  ILE  34          2HG2      ILE  34   4.047  -5.455   2.337
  277   3HG2  ILE  34          3HG2      ILE  34   2.886  -4.567   1.348
  278   1HD1  ILE  34          1HD1      ILE  34   1.867  -6.415   2.592
  279   2HD1  ILE  34          2HD1      ILE  34   1.118  -6.886   4.117
  280   3HD1  ILE  34          3HD1      ILE  34   0.529  -5.471   3.246
  281    H    LEU  35           H        LEU  35   2.402  -1.263   3.461
  282    HA   LEU  35           HA       LEU  35   3.991  -0.125   1.454
  283   1HB   LEU  35          1HB       LEU  35   1.904   1.154   3.231
  284   2HB   LEU  35          2HB       LEU  35   2.584   1.910   1.799
  285    HG   LEU  35           HG       LEU  35   1.037  -0.683   1.750
  286   1HD1  LEU  35          1HD1      LEU  35   0.126   2.034   2.024
  287   2HD1  LEU  35          2HD1      LEU  35  -0.416   1.343   0.495
  288   3HD1  LEU  35          3HD1      LEU  35  -0.803   0.535   2.014
  289   1HD2  LEU  35          1HD2      LEU  35   2.758   0.230  -0.106
  290   2HD2  LEU  35          2HD2      LEU  35   1.306  -0.694  -0.494
  291   3HD2  LEU  35          3HD2      LEU  35   1.289   1.067  -0.612
  292    H    HIS  36           H        HIS  36   3.757   0.455   4.895
  293    HA   HIS  36           HA       HIS  36   5.387   2.725   5.077
  294   1HB   HIS  36          1HB       HIS  36   4.051   0.919   6.853
  295   2HB   HIS  36          2HB       HIS  36   5.686   1.172   7.442
  296    HD1  HIS  36           HD1      HIS  36   6.239   4.028   7.160
  297    HD2  HIS  36           HD2      HIS  36   2.423   2.663   8.065
  298    HE1  HIS  36           HE1      HIS  36   5.063   5.980   8.224
  299    HE2  HIS  36           HE2      HIS  36   2.775   5.112   8.823
  300    H    THR  37           H        THR  37   6.130  -0.725   5.159
  301    HA   THR  37           HA       THR  37   8.838  -0.560   5.880
  302    HB   THR  37           HB       THR  37   7.444  -2.612   4.142
  303    HG1  THR  37           HG1      THR  37   7.879  -3.692   6.401
  304   1HG2  THR  37          1HG2      THR  37  10.177  -2.293   4.476
  305   2HG2  THR  37          2HG2      THR  37   9.747  -3.526   5.661
  306   3HG2  THR  37          3HG2      THR  37   9.353  -3.765   3.956
  307    H    TYR  38           H        TYR  38   7.199  -0.396   2.777
  308    HA   TYR  38           HA       TYR  38   9.454  -0.398   1.099
  309   1HB   TYR  38          1HB       TYR  38   7.276  -0.805   0.190
  310   2HB   TYR  38          2HB       TYR  38   6.675   0.737   0.782
  311    HD1  TYR  38           HD1      TYR  38   9.376  -0.572  -1.454
  312    HD2  TYR  38           HD2      TYR  38   6.467   2.446  -0.722
  313    HE1  TYR  38           HE1      TYR  38   9.934   0.479  -3.608
  314    HE2  TYR  38           HE2      TYR  38   7.017   3.504  -2.873
  315    HH   TYR  38           HH       TYR  38   9.184   1.988  -5.171
  316    H    GLN  39           H        GLN  39   7.404   2.343   2.038
  317    HA   GLN  39           HA       GLN  39   8.996   4.358   0.982
  318   1HB   GLN  39          1HB       GLN  39   7.003   4.396   3.235
  319   2HB   GLN  39          2HB       GLN  39   7.746   5.850   2.584
  320   1HG   GLN  39          1HG       GLN  39   6.161   3.883   0.955
  321   2HG   GLN  39          2HG       GLN  39   5.505   5.352   1.664
  322   2HE2  GLN  39          2HE2      GLN  39   8.466   6.311   0.988
  323   1HE2  GLN  39          1HE2      GLN  39   8.278   6.870  -0.635
  324    H    LYS  40           H        LYS  40   8.998   3.041   4.292
  325    HA   LYS  40           HA       LYS  40  10.646   4.804   5.546
  326   1HB   LYS  40          1HB       LYS  40   9.401   2.674   6.353
  327   2HB   LYS  40          2HB       LYS  40  10.912   1.857   5.986
  328   1HG   LYS  40          1HG       LYS  40  12.088   3.355   7.512
  329   2HG   LYS  40          2HG       LYS  40  10.562   4.173   7.845
  330   1HD   LYS  40          1HD       LYS  40  10.976   2.660   9.649
  331   2HD   LYS  40          2HD       LYS  40   9.664   1.991   8.679
  332   1HE   LYS  40          1HE       LYS  40  12.557   1.175   8.434
  333   2HE   LYS  40          2HE       LYS  40  11.359   0.313   9.397
  334   1HZ   LYS  40          1HZ       LYS  40  10.061   0.243   7.185
  335   2HZ   LYS  40          2HZ       LYS  40  11.563   0.547   6.470
  336   3HZ   LYS  40          3HZ       LYS  40  11.341  -0.836   7.420
  337    H    GLU  41           H        GLU  41  11.672   1.854   3.810
  338    HA   GLU  41           HA       GLU  41  14.448   2.411   4.136
  339   1HB   GLU  41          1HB       GLU  41  13.607   0.127   3.825
  340   2HB   GLU  41          2HB       GLU  41  13.067   0.541   2.203
  341   1HG   GLU  41          1HG       GLU  41  15.385   0.973   1.548
  342   2HG   GLU  41          2HG       GLU  41  15.918   0.535   3.171
  343    H    GLN  42           H        GLN  42  12.104   2.998   1.576
  344    HA   GLN  42           HA       GLN  42  13.744   3.661  -0.532
  345   1HB   GLN  42          1HB       GLN  42  11.308   3.537  -0.713
  346   2HB   GLN  42          2HB       GLN  42  11.149   4.994   0.259
  347   1HG   GLN  42          1HG       GLN  42  12.277   6.286  -1.466
  348   2HG   GLN  42          2HG       GLN  42  12.482   4.828  -2.435
  349   2HE2  GLN  42          2HE2      GLN  42   9.584   4.471  -0.970
  350   1HE2  GLN  42          1HE2      GLN  42   8.554   5.151  -2.176
  351    H    LEU  43           H        LEU  43  12.763   5.711   2.185
  352    HA   LEU  43           HA       LEU  43  13.865   8.110   1.266
  353   1HB   LEU  43          1HB       LEU  43  13.539   7.140   4.097
  354   2HB   LEU  43          2HB       LEU  43  13.874   8.797   3.638
  355    HG   LEU  43           HG       LEU  43  11.389   7.263   2.879
  356   1HD1  LEU  43          1HD1      LEU  43  12.010   9.155   5.108
  357   2HD1  LEU  43          2HD1      LEU  43  10.381   9.068   4.440
  358   3HD1  LEU  43          3HD1      LEU  43  11.122   7.633   5.148
  359   1HD2  LEU  43          1HD2      LEU  43  12.402   9.265   1.463
  360   2HD2  LEU  43          2HD2      LEU  43  10.667   9.085   1.724
  361   3HD2  LEU  43          3HD2      LEU  43  11.594  10.217   2.709
  362    H    HIS  44           H        HIS  44  15.278   6.602   4.119
  363    HA   HIS  44           HA       HIS  44  17.758   5.874   3.082
  364   1HB   HIS  44          1HB       HIS  44  19.170   7.767   3.877
  365   2HB   HIS  44          2HB       HIS  44  18.127   8.194   2.527
  366    HD1  HIS  44           HD1      HIS  44  18.971  10.593   3.806
  367    HD2  HIS  44           HD2      HIS  44  15.865   8.384   5.463
  368    HE1  HIS  44           HE1      HIS  44  17.713  12.200   5.275
  369    HE2  HIS  44           HE2      HIS  44  15.775  10.868   6.179
  370    H    THR  45           H        THR  45  15.850   5.040   5.039
  371    HA   THR  45           HA       THR  45  16.967   5.498   7.651
  372    HB   THR  45           HB       THR  45  15.324   3.817   8.416
  373    HG1  THR  45           HG1      THR  45  13.968   2.837   6.923
  374   1HG2  THR  45          1HG2      THR  45  14.798   6.346   7.260
  375   2HG2  THR  45          2HG2      THR  45  13.460   5.284   6.825
  376   3HG2  THR  45          3HG2      THR  45  13.887   5.514   8.521
  377    H    LYS  46           H        LYS  46  16.349   2.539   8.246
  378    HA   LYS  46           HA       LYS  46  19.026   1.661   8.315
  379   1HB   LYS  46          1HB       LYS  46  17.033   0.998   9.816
  380   2HB   LYS  46          2HB       LYS  46  16.653  -0.169   8.558
  381   1HG   LYS  46          1HG       LYS  46  17.926  -1.238  10.292
  382   2HG   LYS  46          2HG       LYS  46  18.901  -1.145   8.822
  383   1HD   LYS  46          1HD       LYS  46  20.061   0.812   9.705
  384   2HD   LYS  46          2HD       LYS  46  19.070   0.756  11.161
  385   1HE   LYS  46          1HE       LYS  46  21.258  -0.233  11.567
  386   2HE   LYS  46          2HE       LYS  46  19.986  -1.445  11.705
  387   1HZ   LYS  46          1HZ       LYS  46  21.635  -1.040   9.270
  388   2HZ   LYS  46          2HZ       LYS  46  21.965  -2.201  10.455
  389   3HZ   LYS  46          3HZ       LYS  46  20.535  -2.294   9.558
  390    H    GLY  47           H        GLY  47  20.063  -0.005   7.187
  391   1HA   GLY  47          1HA       GLY  47  18.757  -1.286   4.949
  392   2HA   GLY  47          2HA       GLY  47  20.423  -1.515   5.459
  393    H    ARG  48           H        ARG  48  21.647  -1.124   3.745
  394    HA   ARG  48           HA       ARG  48  21.855   1.506   2.685
  395   1HB   ARG  48          1HB       ARG  48  23.094  -1.083   1.736
  396   2HB   ARG  48          2HB       ARG  48  23.559   0.521   1.190
  397   1HG   ARG  48          1HG       ARG  48  24.278   1.099   3.437
  398   2HG   ARG  48          2HG       ARG  48  23.773  -0.489   4.016
  399   1HD   ARG  48          1HD       ARG  48  25.403  -1.555   2.554
  400   2HD   ARG  48          2HD       ARG  48  25.887   0.019   1.925
  401    HE   ARG  48           HE       ARG  48  27.270   0.194   3.717
  402   1HH1  ARG  48          1HH1      ARG  48  24.633  -1.910   4.603
  403   2HH1  ARG  48          2HH1      ARG  48  25.232  -2.197   6.202
  404   1HH2  ARG  48          1HH2      ARG  48  28.062  -0.181   5.820
  405   2HH2  ARG  48          2HH2      ARG  48  27.180  -1.215   6.893
  406    HA   PRO  49           HA       PRO  49  18.828   1.194  -0.564
  407   1HB   PRO  49          1HB       PRO  49  19.622   3.344  -2.025
  408   2HB   PRO  49          2HB       PRO  49  18.741   3.498  -0.504
  409   1HG   PRO  49          1HG       PRO  49  21.682   3.723  -1.021
  410   2HG   PRO  49          2HG       PRO  49  20.640   4.758  -0.029
  411   1HD   PRO  49          1HD       PRO  49  22.213   2.853   1.051
  412   2HD   PRO  49          2HD       PRO  49  20.630   3.270   1.739
  413    H    PHE  50           H        PHE  50  19.370   2.023  -3.203
  414    HA   PHE  50           HA       PHE  50  20.305   1.345  -5.170
  415   1HB   PHE  50          1HB       PHE  50  22.449   1.776  -3.978
  416   2HB   PHE  50          2HB       PHE  50  22.446   0.097  -3.464
  417    HD1  PHE  50           HD1      PHE  50  21.768   1.776  -6.732
  418    HD2  PHE  50           HD2      PHE  50  24.073  -1.083  -4.579
  419    HE1  PHE  50           HE1      PHE  50  22.921   1.146  -8.812
  420    HE2  PHE  50           HE2      PHE  50  25.231  -1.717  -6.657
  421    HZ   PHE  50           HZ       PHE  50  24.654  -0.603  -8.776
  422    H    ARG  51           H        ARG  51  18.274  -0.016  -4.684
  423    HA   ARG  51           HA       ARG  51  17.158  -1.908  -5.186
  424   1HB   ARG  51          1HB       ARG  51  18.732  -2.360  -6.933
  425   2HB   ARG  51          2HB       ARG  51  19.923  -2.937  -5.780
  426   1HG   ARG  51          1HG       ARG  51  18.452  -4.826  -5.245
  427   2HG   ARG  51          2HG       ARG  51  17.302  -4.237  -6.446
  428   1HD   ARG  51          1HD       ARG  51  18.983  -4.506  -8.196
  429   2HD   ARG  51          2HD       ARG  51  20.142  -5.085  -7.000
  430    HE   ARG  51           HE       ARG  51  18.198  -6.631  -8.311
  431   1HH1  ARG  51          1HH1      ARG  51  19.557  -6.166  -5.131
  432   2HH1  ARG  51          2HH1      ARG  51  19.209  -7.780  -4.609
  433   1HH2  ARG  51          1HH2      ARG  51  17.740  -8.755  -7.627
  434   2HH2  ARG  51          2HH2      ARG  51  18.178  -9.252  -6.028
  435    H    GLY  52           H        GLY  52  16.193  -2.635  -3.492
  436   1HA   GLY  52          1HA       GLY  52  17.103  -3.178  -0.984
  437   2HA   GLY  52          2HA       GLY  52  17.381  -4.675  -1.852
  438    H    MET  53           H        MET  53  14.754  -2.440  -2.320
  439    HA   MET  53           HA       MET  53  12.804  -4.522  -2.137
  440   1HB   MET  53          1HB       MET  53  13.168  -4.035   0.240
  441   2HB   MET  53          2HB       MET  53  12.793  -2.344  -0.048
  442   1HG   MET  53          1HG       MET  53  10.533  -2.919  -0.696
  443   2HG   MET  53          2HG       MET  53  10.888  -4.631  -0.490
  444   1HE   MET  53          1HE       MET  53   8.751  -4.803   0.903
  445   2HE   MET  53          2HE       MET  53   8.486  -4.058   2.479
  446   3HE   MET  53          3HE       MET  53   8.367  -3.086   1.013
  447    H    SER  54           H        SER  54  10.831  -3.942  -3.022
  448    HA   SER  54           HA       SER  54  10.143  -1.233  -3.590
  449   1HB   SER  54          1HB       SER  54  10.257  -1.419  -6.065
  450   2HB   SER  54          2HB       SER  54  11.848  -1.488  -5.309
  451    HG   SER  54           HG       SER  54  10.322  -3.623  -6.368
  452    H    GLU  55           H        GLU  55   8.756  -2.207  -6.122
  453    HA   GLU  55           HA       GLU  55   6.286  -2.852  -4.937
  454   1HB   GLU  55          1HB       GLU  55   7.201  -3.103  -7.805
  455   2HB   GLU  55          2HB       GLU  55   5.535  -3.284  -7.275
  456   1HG   GLU  55          1HG       GLU  55   5.840  -1.085  -8.162
  457   2HG   GLU  55          2HG       GLU  55   5.591  -0.969  -6.421
  458    H    GLU  56           H        GLU  56   8.893  -4.817  -6.138
  459    HA   GLU  56           HA       GLU  56   7.611  -7.220  -6.618
  460   1HB   GLU  56          1HB       GLU  56   9.780  -8.293  -6.079
  461   2HB   GLU  56          2HB       GLU  56   9.935  -6.921  -7.166
  462   1HG   GLU  56          1HG       GLU  56  10.638  -5.519  -5.286
  463   2HG   GLU  56          2HG       GLU  56  10.500  -6.908  -4.209
  464    H    GLU  57           H        GLU  57   8.883  -6.014  -3.509
  465    HA   GLU  57           HA       GLU  57   7.923  -8.341  -2.101
  466   1HB   GLU  57          1HB       GLU  57   9.963  -7.181  -1.367
  467   2HB   GLU  57          2HB       GLU  57   9.016  -5.740  -1.020
  468   1HG   GLU  57          1HG       GLU  57   9.319  -6.774   1.057
  469   2HG   GLU  57          2HG       GLU  57   7.671  -7.192   0.575
  470    H    VAL  58           H        VAL  58   7.103  -4.873  -2.047
  471    HA   VAL  58           HA       VAL  58   5.057  -4.934  -0.208
  472    HB   VAL  58           HB       VAL  58   5.083  -3.216  -2.689
  473   1HG1  VAL  58          1HG1      VAL  58   3.710  -2.984  -0.026
  474   2HG1  VAL  58          2HG1      VAL  58   3.955  -1.597  -1.087
  475   3HG1  VAL  58          3HG1      VAL  58   2.992  -2.968  -1.637
  476   1HG2  VAL  58          1HG2      VAL  58   6.956  -3.358  -0.552
  477   2HG2  VAL  58          2HG2      VAL  58   6.922  -2.243  -1.918
  478   3HG2  VAL  58          3HG2      VAL  58   6.075  -1.836  -0.425
  479    H    PHE  59           H        PHE  59   4.788  -5.426  -3.719
  480    HA   PHE  59           HA       PHE  59   2.009  -5.740  -3.808
  481   1HB   PHE  59          1HB       PHE  59   3.376  -5.410  -5.817
  482   2HB   PHE  59          2HB       PHE  59   4.116  -6.991  -5.586
  483    HD1  PHE  59           HD1      PHE  59   0.607  -5.703  -5.587
  484    HD2  PHE  59           HD2      PHE  59   3.405  -8.511  -7.136
  485    HE1  PHE  59           HE1      PHE  59  -1.174  -6.726  -6.943
  486    HE2  PHE  59           HE2      PHE  59   1.631  -9.537  -8.496
  487    HZ   PHE  59           HZ       PHE  59  -0.663  -8.645  -8.399
  488    H    THR  60           H        THR  60   4.586  -8.014  -3.066
  489    HA   THR  60           HA       THR  60   2.902 -10.324  -3.120
  490    HB   THR  60           HB       THR  60   5.630  -9.959  -1.868
  491    HG1  THR  60           HG1      THR  60   5.281  -9.717  -4.267
  492   1HG2  THR  60          1HG2      THR  60   3.770 -12.220  -1.970
  493   2HG2  THR  60          2HG2      THR  60   5.389 -12.597  -2.558
  494   3HG2  THR  60          3HG2      THR  60   5.170 -11.951  -0.932
  495    H    GLU  61           H        GLU  61   4.409  -8.500  -0.451
  496    HA   GLU  61           HA       GLU  61   3.324  -9.939   1.657
  497   1HB   GLU  61          1HB       GLU  61   5.142  -8.169   1.735
  498   2HB   GLU  61          2HB       GLU  61   3.853  -6.974   1.721
  499   1HG   GLU  61          1HG       GLU  61   4.591  -7.334   3.975
  500   2HG   GLU  61          2HG       GLU  61   2.953  -7.957   3.788
  501    H    VAL  62           H        VAL  62   2.040  -7.113  -0.055
  502    HA   VAL  62           HA       VAL  62  -0.274  -6.803   1.547
  503    HB   VAL  62           HB       VAL  62   0.225  -5.995  -1.326
  504   1HG1  VAL  62          1HG1      VAL  62  -2.037  -5.274   0.533
  505   2HG1  VAL  62          2HG1      VAL  62  -1.695  -4.452  -0.989
  506   3HG1  VAL  62          3HG1      VAL  62  -2.151  -6.155  -0.991
  507   1HG2  VAL  62          1HG2      VAL  62   0.881  -4.837   1.282
  508   2HG2  VAL  62          2HG2      VAL  62   1.591  -4.538  -0.304
  509   3HG2  VAL  62          3HG2      VAL  62   0.104  -3.716   0.165
  510    H    ALA  63           H        ALA  63   0.337  -8.533  -1.499
  511    HA   ALA  63           HA       ALA  63  -2.274  -9.434  -1.969
  512   1HB   ALA  63          1HB       ALA  63  -1.285 -11.087  -3.427
  513   2HB   ALA  63          2HB       ALA  63   0.289 -10.870  -2.661
  514   3HB   ALA  63          3HB       ALA  63  -0.419  -9.561  -3.608
  515    H    ASN  64           H        ASN  64   0.361 -10.789  -0.061
  516    HA   ASN  64           HA       ASN  64  -0.807 -13.241   0.609
  517   1HB   ASN  64          1HB       ASN  64   1.226 -11.503   2.011
  518   2HB   ASN  64          2HB       ASN  64   0.721 -13.065   2.657
  519   2HD2  ASN  64          2HD2      ASN  64   3.129 -11.664   1.046
  520   1HD2  ASN  64          1HD2      ASN  64   3.645 -12.973   0.044
  521    H    LEU  65           H        LEU  65  -1.071 -10.047   2.068
  522    HA   LEU  65           HA       LEU  65  -2.620 -10.820   4.323
  523   1HB   LEU  65          1HB       LEU  65  -1.734  -8.354   3.016
  524   2HB   LEU  65          2HB       LEU  65  -3.303  -8.217   3.777
  525    HG   LEU  65           HG       LEU  65  -0.795  -9.115   5.189
  526   1HD1  LEU  65          1HD1      LEU  65  -1.624  -6.544   4.354
  527   2HD1  LEU  65          2HD1      LEU  65  -1.832  -6.631   6.104
  528   3HD1  LEU  65          3HD1      LEU  65  -0.257  -6.973   5.386
  529   1HD2  LEU  65          1HD2      LEU  65  -3.650  -8.893   5.935
  530   2HD2  LEU  65          2HD2      LEU  65  -2.391  -9.955   6.567
  531   3HD2  LEU  65          3HD2      LEU  65  -2.483  -8.279   7.108
  532    H    PHE  66           H        PHE  66  -3.503  -9.000   1.430
  533    HA   PHE  66           HA       PHE  66  -6.309  -9.338   1.789
  534   1HB   PHE  66          1HB       PHE  66  -4.693  -8.360  -0.572
  535   2HB   PHE  66          2HB       PHE  66  -6.445  -8.277  -0.467
  536    HD1  PHE  66           HD1      PHE  66  -4.954  -7.701   2.714
  537    HD2  PHE  66           HD2      PHE  66  -5.859  -5.838  -1.008
  538    HE1  PHE  66           HE1      PHE  66  -4.794  -5.492   3.784
  539    HE2  PHE  66           HE2      PHE  66  -5.704  -3.628   0.060
  540    HZ   PHE  66           HZ       PHE  66  -5.169  -3.453   2.457
  541    H    ARG  67           H        ARG  67  -5.018 -11.891   1.698
  542    HA   ARG  67           HA       ARG  67  -5.121 -13.141  -0.798
  543   1HB   ARG  67          1HB       ARG  67  -4.070 -14.174   1.157
  544   2HB   ARG  67          2HB       ARG  67  -5.638 -14.319   1.941
  545   1HG   ARG  67          1HG       ARG  67  -6.378 -15.880   0.243
  546   2HG   ARG  67          2HG       ARG  67  -4.851 -15.690  -0.622
  547   1HD   ARG  67          1HD       ARG  67  -5.174 -16.788   2.169
  548   2HD   ARG  67          2HD       ARG  67  -4.890 -17.742   0.715
  549    HE   ARG  67           HE       ARG  67  -2.853 -15.835   0.944
  550   1HH1  ARG  67          1HH1      ARG  67  -4.003 -18.705   2.552
  551   2HH1  ARG  67          2HH1      ARG  67  -2.438 -19.157   3.141
  552   1HH2  ARG  67          1HH2      ARG  67  -0.789 -16.423   1.715
  553   2HH2  ARG  67          2HH2      ARG  67  -0.613 -17.860   2.665
  554    H    GLY  68           H        GLY  68  -6.742 -13.931  -2.028
  555   1HA   GLY  68          1HA       GLY  68  -9.393 -14.348  -0.925
  556   2HA   GLY  68          2HA       GLY  68  -8.888 -14.664  -2.580
  557    H    GLN  69           H        GLN  69  -8.610 -11.675  -0.702
  558    HA   GLN  69           HA       GLN  69 -10.777 -10.382  -2.070
  559   1HB   GLN  69          1HB       GLN  69  -8.656  -9.373  -0.171
  560   2HB   GLN  69          2HB       GLN  69  -9.909  -8.345  -0.849
  561   1HG   GLN  69          1HG       GLN  69 -10.520  -9.024   1.371
  562   2HG   GLN  69          2HG       GLN  69 -11.617  -9.752   0.204
  563   2HE2  GLN  69          2HE2      GLN  69  -9.620 -10.291   2.831
  564   1HE2  GLN  69          1HE2      GLN  69  -9.583 -12.017   2.785
  565    H    GLU  70           H        GLU  70  -9.269 -11.250  -4.064
  566    HA   GLU  70           HA       GLU  70  -7.136  -9.693  -4.942
  567   1HB   GLU  70          1HB       GLU  70  -9.196 -11.208  -6.547
  568   2HB   GLU  70          2HB       GLU  70  -7.700 -10.557  -7.206
  569   1HG   GLU  70          1HG       GLU  70  -6.393 -11.993  -5.798
  570   2HG   GLU  70          2HG       GLU  70  -7.840 -12.558  -4.969
  571    H    ASP  71           H        ASP  71 -10.420  -8.859  -4.673
  572    HA   ASP  71           HA       ASP  71 -10.730  -7.106  -6.840
  573   1HB   ASP  71          1HB       ASP  71 -12.539  -6.071  -5.516
  574   2HB   ASP  71          2HB       ASP  71 -12.637  -7.827  -5.515
  575    H    LEU  72           H        LEU  72  -9.377  -6.609  -3.618
  576    HA   LEU  72           HA       LEU  72  -8.977  -3.799  -3.939
  577   1HB   LEU  72          1HB       LEU  72  -7.696  -5.766  -2.040
  578   2HB   LEU  72          2HB       LEU  72  -7.515  -4.025  -1.946
  579    HG   LEU  72           HG       LEU  72 -10.122  -5.518  -1.639
  580   1HD1  LEU  72          1HD1      LEU  72  -8.341  -4.204   0.410
  581   2HD1  LEU  72          2HD1      LEU  72  -9.949  -4.859   0.720
  582   3HD1  LEU  72          3HD1      LEU  72  -8.638  -5.933   0.235
  583   1HD2  LEU  72          1HD2      LEU  72  -9.408  -2.665  -1.884
  584   2HD2  LEU  72          2HD2      LEU  72 -10.915  -3.498  -2.268
  585   3HD2  LEU  72          3HD2      LEU  72 -10.543  -3.071  -0.597
  586    H    LEU  73           H        LEU  73  -6.982  -6.682  -4.379
  587    HA   LEU  73           HA       LEU  73  -4.529  -5.513  -4.822
  588   1HB   LEU  73          1HB       LEU  73  -5.892  -8.047  -5.284
  589   2HB   LEU  73          2HB       LEU  73  -4.632  -7.722  -6.423
  590    HG   LEU  73           HG       LEU  73  -3.732  -9.039  -4.623
  591   1HD1  LEU  73          1HD1      LEU  73  -2.585  -6.769  -5.536
  592   2HD1  LEU  73          2HD1      LEU  73  -2.611  -6.450  -3.801
  593   3HD1  LEU  73          3HD1      LEU  73  -1.809  -7.894  -4.422
  594   1HD2  LEU  73          1HD2      LEU  73  -5.408  -8.465  -2.957
  595   2HD2  LEU  73          2HD2      LEU  73  -3.777  -8.244  -2.320
  596   3HD2  LEU  73          3HD2      LEU  73  -4.727  -6.844  -2.820
  597    H    SER  74           H        SER  74  -7.293  -5.948  -6.934
  598    HA   SER  74           HA       SER  74  -6.078  -5.481  -9.404
  599   1HB   SER  74          1HB       SER  74  -8.408  -6.270  -9.147
  600   2HB   SER  74          2HB       SER  74  -8.865  -4.684  -8.524
  601    HG   SER  74           HG       SER  74  -8.295  -5.481 -11.120
  602    H    GLU  75           H        GLU  75  -7.331  -3.254  -6.969
  603    HA   GLU  75           HA       GLU  75  -6.891  -0.892  -8.515
  604   1HB   GLU  75          1HB       GLU  75  -7.194  -1.199  -5.521
  605   2HB   GLU  75          2HB       GLU  75  -7.342   0.301  -6.424
  606   1HG   GLU  75          1HG       GLU  75  -9.286  -0.630  -7.610
  607   2HG   GLU  75          2HG       GLU  75  -9.150  -2.095  -6.637
  608    H    PHE  76           H        PHE  76  -5.143  -2.532  -5.924
  609    HA   PHE  76           HA       PHE  76  -3.067  -0.716  -5.542
  610   1HB   PHE  76          1HB       PHE  76  -3.577  -2.684  -4.103
  611   2HB   PHE  76          2HB       PHE  76  -2.929  -3.734  -5.353
  612    HD1  PHE  76           HD1      PHE  76  -1.562  -0.486  -4.176
  613    HD2  PHE  76           HD2      PHE  76  -1.112  -4.718  -4.297
  614    HE1  PHE  76           HE1      PHE  76   0.675  -0.273  -3.173
  615    HE2  PHE  76           HE2      PHE  76   1.124  -4.515  -3.293
  616    HZ   PHE  76           HZ       PHE  76   2.020  -2.289  -2.730
  617    H    GLY  77           H        GLY  77  -3.412  -3.346  -7.859
  618   1HA   GLY  77          1HA       GLY  77  -2.194  -3.949  -9.705
  619   2HA   GLY  77          2HA       GLY  77  -0.796  -3.231  -8.922
  620    H    GLN  78           H        GLN  78  -3.749  -1.490  -9.730
  621    HA   GLN  78           HA       GLN  78  -3.162  -0.513 -12.228
  622   1HB   GLN  78          1HB       GLN  78  -4.492   0.961  -9.950
  623   2HB   GLN  78          2HB       GLN  78  -4.550   1.457 -11.635
  624   1HG   GLN  78          1HG       GLN  78  -5.700  -0.621 -12.206
  625   2HG   GLN  78          2HG       GLN  78  -5.647  -1.111 -10.514
  626   2HE2  GLN  78          2HE2      GLN  78  -7.592   0.131 -12.799
  627   1HE2  GLN  78          1HE2      GLN  78  -8.694   1.025 -11.813
  628    H    PHE  79           H        PHE  79  -2.254   0.995  -9.129
  629    HA   PHE  79           HA       PHE  79  -0.761   3.086 -10.337
  630   1HB   PHE  79          1HB       PHE  79  -0.816   1.998  -7.524
  631   2HB   PHE  79          2HB       PHE  79   0.182   3.366  -7.997
  632    HD1  PHE  79           HD1      PHE  79  -3.359   2.364  -8.678
  633    HD2  PHE  79           HD2      PHE  79  -0.679   5.337  -7.231
  634    HE1  PHE  79           HE1      PHE  79  -5.256   3.881  -8.291
  635    HE2  PHE  79           HE2      PHE  79  -2.573   6.858  -6.840
  636    HZ   PHE  79           HZ       PHE  79  -4.865   6.131  -7.371
  637    H    LEU  80           H        LEU  80   0.160  -0.004  -8.863
  638    HA   LEU  80           HA       LEU  80   2.941   0.317  -9.094
  639   1HB   LEU  80          1HB       LEU  80   1.326  -2.231  -9.120
  640   2HB   LEU  80          2HB       LEU  80   3.054  -2.127  -8.847
  641    HG   LEU  80           HG       LEU  80   0.895  -1.022  -7.048
  642   1HD1  LEU  80          1HD1      LEU  80   1.475  -3.567  -7.214
  643   2HD1  LEU  80          2HD1      LEU  80   2.889  -3.095  -6.271
  644   3HD1  LEU  80          3HD1      LEU  80   1.268  -2.794  -5.642
  645   1HD2  LEU  80          1HD2      LEU  80   3.205   0.202  -7.288
  646   2HD2  LEU  80          2HD2      LEU  80   2.497  -0.083  -5.698
  647   3HD2  LEU  80          3HD2      LEU  80   3.776  -1.140  -6.296
  648    HA   PRO  81           HA       PRO  81   3.456  -0.262 -13.478
  649   1HB   PRO  81          1HB       PRO  81   6.135  -0.347 -13.564
  650   2HB   PRO  81          2HB       PRO  81   5.271   1.147 -13.180
  651   1HG   PRO  81          1HG       PRO  81   6.611  -0.792 -11.335
  652   2HG   PRO  81          2HG       PRO  81   6.641   0.981 -11.309
  653   1HD   PRO  81          1HD       PRO  81   5.021  -0.543  -9.707
  654   2HD   PRO  81          2HD       PRO  81   4.640   1.118 -10.203
  655    H    GLU  82           H        GLU  82   2.518  -2.562 -12.533
  656    HA   GLU  82           HA       GLU  82   4.093  -4.786 -12.249
  657   1HB   GLU  82          1HB       GLU  82   2.205  -6.110 -12.954
  658   2HB   GLU  82          2HB       GLU  82   1.619  -4.740 -12.024
  659   1HG   GLU  82          1HG       GLU  82   1.615  -4.943 -15.028
  660   2HG   GLU  82          2HG       GLU  82   0.225  -5.206 -13.978
  661    H    ALA  83           H        ALA  83   5.339  -6.025 -13.500
  662    HA   ALA  83           HA       ALA  83   5.491  -5.365 -16.367
  663   1HB   ALA  83          1HB       ALA  83   7.637  -4.989 -15.820
  664   2HB   ALA  83          2HB       ALA  83   7.523  -5.917 -14.325
  665   3HB   ALA  83          3HB       ALA  83   7.780  -6.746 -15.861
  666    H    LYS  84           H        LYS  84   5.760  -8.064 -14.075
  667    HA   LYS  84           HA       LYS  84   4.355  -9.811 -15.910
  668   1HB   LYS  84          1HB       LYS  84   7.206 -10.326 -15.062
  669   2HB   LYS  84          2HB       LYS  84   6.145 -11.589 -15.667
  670   1HG   LYS  84          1HG       LYS  84   6.950  -9.114 -17.184
  671   2HG   LYS  84          2HG       LYS  84   7.645 -10.722 -17.396
  672   1HD   LYS  84          1HD       LYS  84   4.748  -9.992 -17.837
  673   2HD   LYS  84          2HD       LYS  84   5.954 -10.209 -19.108
  674   1HE   LYS  84          1HE       LYS  84   6.254 -12.537 -18.434
  675   2HE   LYS  84          2HE       LYS  84   5.070 -12.323 -17.145
  676   1HZ   LYS  84          1HZ       LYS  84   4.196 -11.631 -19.832
  677   2HZ   LYS  84          2HZ       LYS  84   4.449 -13.275 -19.533
  678   3HZ   LYS  84          3HZ       LYS  84   3.354 -12.401 -18.584
  679    H    ARG  85           H        ARG  85   3.137 -11.270 -14.846
  680    HA   ARG  85           HA       ARG  85   2.885 -11.090 -12.029
  681   1HB   ARG  85          1HB       ARG  85   1.726 -13.069 -13.999
  682   2HB   ARG  85          2HB       ARG  85   1.296 -13.016 -12.295
  683   1HG   ARG  85          1HG       ARG  85  -0.408 -11.876 -13.461
  684   2HG   ARG  85          2HG       ARG  85   0.562 -10.640 -12.659
  685   1HD   ARG  85          1HD       ARG  85   0.022  -9.952 -14.921
  686   2HD   ARG  85          2HD       ARG  85   1.756 -10.232 -14.766
  687    HE   ARG  85           HE       ARG  85   1.552 -11.786 -16.411
  688   1HH1  ARG  85          1HH1      ARG  85  -1.531 -11.517 -14.802
  689   2HH1  ARG  85          2HH1      ARG  85  -2.313 -12.666 -15.835
  690   1HH2  ARG  85          1HH2      ARG  85   0.526 -13.295 -17.776
  691   2HH2  ARG  85          2HH2      ARG  85  -1.145 -13.676 -17.524
  692    H1   ASN   1           H1       ASN   1   4.397   4.879  -6.382
  693    H2   ASN   1           H2       ASN   1   4.674   6.002  -7.617
  694    H3   ASN   1           H3       ASN   1   5.451   6.177  -6.124
  695    HA   ASN   1           HA       ASN   1   3.805   7.690  -5.844
  696   1HB   ASN   1          1HB       ASN   1   1.532   7.329  -6.826
  697   2HB   ASN   1          2HB       ASN   1   2.822   7.411  -8.021
  698   2HD2  ASN   1          2HD2      ASN   1   2.674   5.959  -9.559
  699   1HD2  ASN   1          1HD2      ASN   1   1.969   4.389  -9.421
  700    H    ILE   2           H        ILE   2   4.547   5.317  -4.329
  701    HA   ILE   2           HA       ILE   2   2.200   4.259  -3.082
  702    HB   ILE   2           HB       ILE   2   5.081   4.151  -2.180
  703   1HG1  ILE   2          1HG1      ILE   2   4.745   3.089  -4.353
  704   2HG1  ILE   2          2HG1      ILE   2   5.037   1.869  -3.118
  705   1HG2  ILE   2          1HG2      ILE   2   3.469   3.784  -0.353
  706   2HG2  ILE   2          2HG2      ILE   2   2.740   2.475  -1.283
  707   3HG2  ILE   2          3HG2      ILE   2   4.408   2.339  -0.728
  708   1HD1  ILE   2          1HD1      ILE   2   2.509   1.624  -2.997
  709   2HD1  ILE   2          2HD1      ILE   2   2.467   2.558  -4.494
  710   3HD1  ILE   2          3HD1      ILE   2   3.314   1.012  -4.441
  711    H    GLN   3           H        GLN   3   4.287   6.976  -2.550
  712    HA   GLN   3           HA       GLN   3   3.919   7.584   0.106
  713   1HB   GLN   3          1HB       GLN   3   5.409   8.916  -1.189
  714   2HB   GLN   3          2HB       GLN   3   4.140   9.359  -2.322
  715   1HG   GLN   3          1HG       GLN   3   3.014  10.566  -0.432
  716   2HG   GLN   3          2HG       GLN   3   4.472  10.282   0.518
  717   2HE2  GLN   3          2HE2      GLN   3   2.922  12.347  -1.587
  718   1HE2  GLN   3          1HE2      GLN   3   4.265  13.344  -2.023
  719    H    MET   4           H        MET   4   1.766   8.100  -2.615
  720    HA   MET   4           HA       MET   4  -0.123   9.747  -1.402
  721   1HB   MET   4          1HB       MET   4  -0.591   7.633  -3.510
  722   2HB   MET   4          2HB       MET   4  -1.655   8.988  -3.148
  723   1HG   MET   4          1HG       MET   4   0.089  10.549  -3.836
  724   2HG   MET   4          2HG       MET   4   1.163   9.197  -4.188
  725   1HE   MET   4          1HE       MET   4   1.385  10.794  -6.059
  726   2HE   MET   4          2HE       MET   4   1.005   9.950  -7.560
  727   3HE   MET   4          3HE       MET   4   0.059  11.358  -7.074
  728    H    LEU   5           H        LEU   5   0.187   6.216  -1.382
  729    HA   LEU   5           HA       LEU   5  -2.290   5.800  -0.034
  730   1HB   LEU   5          1HB       LEU   5   0.091   3.968  -0.331
  731   2HB   LEU   5          2HB       LEU   5  -1.462   3.491   0.331
  732    HG   LEU   5           HG       LEU   5  -0.798   4.237  -2.506
  733   1HD1  LEU   5          1HD1      LEU   5  -1.022   1.814  -1.153
  734   2HD1  LEU   5          2HD1      LEU   5  -2.515   1.966  -2.082
  735   3HD1  LEU   5          3HD1      LEU   5  -0.952   2.060  -2.896
  736   1HD2  LEU   5          1HD2      LEU   5  -3.316   4.639  -1.078
  737   2HD2  LEU   5          2HD2      LEU   5  -2.774   5.280  -2.629
  738   3HD2  LEU   5          3HD2      LEU   5  -3.471   3.662  -2.539
  739    H    LEU   6           H        LEU   6   1.107   5.897   1.083
  740    HA   LEU   6           HA       LEU   6   0.606   5.339   3.786
  741   1HB   LEU   6          1HB       LEU   6   2.739   6.920   2.386
  742   2HB   LEU   6          2HB       LEU   6   2.658   6.926   4.134
  743    HG   LEU   6           HG       LEU   6   4.290   5.319   3.457
  744   1HD1  LEU   6          1HD1      LEU   6   1.737   4.223   4.546
  745   2HD1  LEU   6          2HD1      LEU   6   3.105   3.152   4.241
  746   3HD1  LEU   6          3HD1      LEU   6   3.278   4.507   5.356
  747   1HD2  LEU   6          1HD2      LEU   6   3.387   4.989   1.160
  748   2HD2  LEU   6          2HD2      LEU   6   3.887   3.505   1.976
  749   3HD2  LEU   6          3HD2      LEU   6   2.173   3.911   1.852
  750    H    GLU   7           H        GLU   7   0.562   8.330   1.963
  751    HA   GLU   7           HA       GLU   7  -0.010  10.061   4.136
  752   1HB   GLU   7          1HB       GLU   7   0.999  10.845   2.040
  753   2HB   GLU   7          2HB       GLU   7  -0.456  10.402   1.161
  754   1HG   GLU   7          1HG       GLU   7  -0.421  12.777   1.522
  755   2HG   GLU   7          2HG       GLU   7  -1.725  12.059   2.467
  756    H    ALA   8           H        ALA   8  -1.974   8.274   1.836
  757    HA   ALA   8           HA       ALA   8  -4.456   9.481   2.329
  758   1HB   ALA   8          1HB       ALA   8  -3.479   7.070   1.011
  759   2HB   ALA   8          2HB       ALA   8  -4.778   8.169   0.550
  760   3HB   ALA   8          3HB       ALA   8  -5.084   6.882   1.716
  761    H    ALA   9           H        ALA   9  -2.914   6.666   3.853
  762    HA   ALA   9           HA       ALA   9  -5.010   5.864   5.490
  763   1HB   ALA   9          1HB       ALA   9  -2.031   5.713   5.909
  764   2HB   ALA   9          2HB       ALA   9  -3.104   4.460   5.285
  765   3HB   ALA   9          3HB       ALA   9  -3.202   4.942   6.978
  766    H    ASP  10           H        ASP  10  -2.527   8.322   6.035
  767    HA   ASP  10           HA       ASP  10  -3.252   8.927   8.702
  768   1HB   ASP  10          1HB       ASP  10  -1.077   9.570   7.765
  769   2HB   ASP  10          2HB       ASP  10  -1.874  10.657   6.633
  770    H    TYR  11           H        TYR  11  -4.285  10.185   5.575
  771    HA   TYR  11           HA       TYR  11  -5.745  12.403   6.408
  772   1HB   TYR  11          1HB       TYR  11  -5.295  11.981   4.060
  773   2HB   TYR  11          2HB       TYR  11  -6.264  10.513   4.104
  774    HD1  TYR  11           HD1      TYR  11  -6.710  14.129   4.993
  775    HD2  TYR  11           HD2      TYR  11  -8.329  10.667   3.127
  776    HE1  TYR  11           HE1      TYR  11  -8.697  15.419   4.336
  777    HE2  TYR  11           HE2      TYR  11 -10.317  11.946   2.462
  778    HH   TYR  11           HH       TYR  11 -11.279  14.663   3.765
  779    H    LEU  12           H        LEU  12  -6.932   9.090   5.825
  780    HA   LEU  12           HA       LEU  12  -9.545   9.603   6.792
  781   1HB   LEU  12          1HB       LEU  12  -8.045   6.997   6.503
  782   2HB   LEU  12          2HB       LEU  12  -9.761   7.129   6.840
  783    HG   LEU  12           HG       LEU  12  -8.420   8.151   4.335
  784   1HD1  LEU  12          1HD1      LEU  12  -9.840   5.592   4.972
  785   2HD1  LEU  12          2HD1      LEU  12  -9.817   6.240   3.331
  786   3HD1  LEU  12          3HD1      LEU  12  -8.302   5.835   4.142
  787   1HD2  LEU  12          1HD2      LEU  12 -11.316   7.954   5.151
  788   2HD2  LEU  12          2HD2      LEU  12 -10.394   9.426   4.846
  789   3HD2  LEU  12          3HD2      LEU  12 -10.758   8.322   3.519
  790    H    GLU  13           H        GLU  13  -6.650   8.205   8.252
  791    HA   GLU  13           HA       GLU  13  -6.061   7.750  10.396
  792   1HB   GLU  13          1HB       GLU  13  -6.308  10.193  10.542
  793   2HB   GLU  13          2HB       GLU  13  -7.997   9.993  10.986
  794   1HG   GLU  13          1HG       GLU  13  -7.318   8.818  13.022
  795   2HG   GLU  13          2HG       GLU  13  -5.626   9.037  12.575

  No H/Q in entry =         795
  Start of MODEL    9
    1    H1   GLU   1           H1       GLU   1  -8.909  17.945   0.635
    2    H2   GLU   1           H2       GLU   1  -8.600  19.409   1.427
    3    H3   GLU   1           H3       GLU   1  -9.383  18.153   2.245
    4    HA   GLU   1           HA       GLU   1 -11.374  18.593   1.368
    5   1HB   GLU   1          1HB       GLU   1 -11.651  21.010   0.928
    6   2HB   GLU   1          2HB       GLU   1 -10.664  20.697   2.348
    7   1HG   GLU   1          1HG       GLU   1  -8.646  21.127   1.038
    8   2HG   GLU   1          2HG       GLU   1  -9.641  21.446  -0.383
    9    H    SER   2           H        SER   2  -8.883  19.610  -0.948
   10    HA   SER   2           HA       SER   2 -10.023  18.188  -3.094
   11   1HB   SER   2          1HB       SER   2 -10.766  20.081  -4.502
   12   2HB   SER   2          2HB       SER   2 -11.742  19.927  -3.041
   13    HG   SER   2           HG       SER   2 -10.044  21.947  -3.829
   14    H    ASP   3           H        ASP   3  -8.502  17.854  -4.598
   15    HA   ASP   3           HA       ASP   3  -6.606  19.748  -5.456
   16   1HB   ASP   3          1HB       ASP   3  -4.554  18.740  -4.498
   17   2HB   ASP   3          2HB       ASP   3  -5.595  19.448  -3.268
   18    H    SER   4           H        SER   4  -4.601  17.293  -5.535
   19    HA   SER   4           HA       SER   4  -5.086  16.550  -8.156
   20   1HB   SER   4          1HB       SER   4  -3.659  14.714  -6.336
   21   2HB   SER   4          2HB       SER   4  -3.235  15.229  -7.954
   22    HG   SER   4           HG       SER   4  -2.916  16.633  -5.533
   23    H    VAL   5           H        VAL   5  -6.053  14.864  -9.108
   24    HA   VAL   5           HA       VAL   5  -8.243  13.625  -7.836
   25    HB   VAL   5           HB       VAL   5  -6.833  12.860 -10.394
   26   1HG1  VAL   5          1HG1      VAL   5  -8.355  11.128  -9.245
   27   2HG1  VAL   5          2HG1      VAL   5  -9.678  12.195  -9.716
   28   3HG1  VAL   5          3HG1      VAL   5  -8.635  11.486 -10.949
   29   1HG2  VAL   5          1HG2      VAL   5  -8.159  15.183  -9.861
   30   2HG2  VAL   5          2HG2      VAL   5  -7.974  14.468 -11.464
   31   3HG2  VAL   5          3HG2      VAL   5  -9.443  14.178 -10.533
   32    H    GLU   6           H        GLU   6  -4.997  12.522  -8.649
   33    HA   GLU   6           HA       GLU   6  -5.223   9.837  -7.982
   34   1HB   GLU   6          1HB       GLU   6  -2.813  11.624  -7.654
   35   2HB   GLU   6          2HB       GLU   6  -2.793   9.867  -7.701
   36   1HG   GLU   6          1HG       GLU   6  -3.641   9.917  -9.991
   37   2HG   GLU   6          2HG       GLU   6  -3.650  11.680  -9.945
   38    H    PHE   7           H        PHE   7  -4.651  12.633  -5.899
   39    HA   PHE   7           HA       PHE   7  -3.904  11.260  -3.575
   40   1HB   PHE   7          1HB       PHE   7  -3.693  13.695  -3.794
   41   2HB   PHE   7          2HB       PHE   7  -5.445  13.858  -3.805
   42    HD1  PHE   7           HD1      PHE   7  -3.252  11.768  -1.630
   43    HD2  PHE   7           HD2      PHE   7  -5.969  15.035  -1.886
   44    HE1  PHE   7           HE1      PHE   7  -3.244  11.961   0.821
   45    HE2  PHE   7           HE2      PHE   7  -5.966  15.233   0.566
   46    HZ   PHE   7           HZ       PHE   7  -4.602  13.695   1.923
   47    H    ASN   8           H        ASN   8  -7.148  12.478  -4.469
   48    HA   ASN   8           HA       ASN   8  -8.492  11.162  -2.360
   49   1HB   ASN   8          1HB       ASN   8  -9.800  12.840  -3.214
   50   2HB   ASN   8          2HB       ASN   8  -9.236  12.586  -4.862
   51   2HD2  ASN   8          2HD2      ASN   8 -10.589  11.725  -6.203
   52   1HD2  ASN   8          1HD2      ASN   8 -11.967  10.779  -5.796
   53    H    ASN   9           H        ASN   9  -7.540  10.323  -5.575
   54    HA   ASN   9           HA       ASN   9  -9.044   8.045  -6.090
   55   1HB   ASN   9          1HB       ASN   9  -7.490   9.253  -7.662
   56   2HB   ASN   9          2HB       ASN   9  -6.145   8.495  -6.833
   57   2HD2  ASN   9          2HD2      ASN   9  -7.383   8.393  -9.574
   58   1HD2  ASN   9          1HD2      ASN   9  -7.440   6.710  -9.910
   59    H    ALA  10           H        ALA  10  -6.050   8.487  -4.293
   60    HA   ALA  10           HA       ALA  10  -5.616   5.725  -3.738
   61   1HB   ALA  10          1HB       ALA  10  -4.292   7.190  -1.778
   62   2HB   ALA  10          2HB       ALA  10  -3.623   6.614  -3.305
   63   3HB   ALA  10          3HB       ALA  10  -4.299   8.240  -3.195
   64    H    ILE  11           H        ILE  11  -7.100   8.418  -1.977
   65    HA   ILE  11           HA       ILE  11  -7.469   7.288   0.510
   66    HB   ILE  11           HB       ILE  11  -9.582   8.924  -0.889
   67   1HG1  ILE  11          1HG1      ILE  11  -7.399  10.039  -1.096
   68   2HG1  ILE  11          2HG1      ILE  11  -8.469  10.919  -0.018
   69   1HG2  ILE  11          1HG2      ILE  11  -9.146   7.962   1.828
   70   2HG2  ILE  11          2HG2      ILE  11  -9.483   9.692   1.730
   71   3HG2  ILE  11          3HG2      ILE  11 -10.622   8.531   1.045
   72   1HD1  ILE  11          1HD1      ILE  11  -6.967   9.128   1.563
   73   2HD1  ILE  11          2HD1      ILE  11  -5.852   9.944   0.466
   74   3HD1  ILE  11          3HD1      ILE  11  -6.897  10.891   1.526
   75    H    SER  12           H        SER  12  -9.478   6.957  -2.374
   76    HA   SER  12           HA       SER  12 -11.594   5.515  -1.338
   77   1HB   SER  12          1HB       SER  12 -11.573   6.393  -3.625
   78   2HB   SER  12          2HB       SER  12 -10.323   5.232  -4.070
   79    HG   SER  12           HG       SER  12 -11.830   3.565  -3.571
   80    H    TYR  13           H        TYR  13  -8.451   4.314  -2.476
   81    HA   TYR  13           HA       TYR  13  -9.084   1.571  -2.252
   82   1HB   TYR  13          1HB       TYR  13  -7.146   2.495  -3.527
   83   2HB   TYR  13          2HB       TYR  13  -6.357   2.849  -1.994
   84    HD1  TYR  13           HD1      TYR  13  -8.181  -0.101  -3.393
   85    HD2  TYR  13           HD2      TYR  13  -4.647   1.371  -1.538
   86    HE1  TYR  13           HE1      TYR  13  -7.261  -2.377  -3.354
   87    HE2  TYR  13           HE2      TYR  13  -3.715  -0.904  -1.493
   88    HH   TYR  13           HH       TYR  13  -5.627  -3.691  -2.500
   89    H    VAL  14           H        VAL  14  -7.168   3.658  -0.092
   90    HA   VAL  14           HA       VAL  14  -6.803   1.799   1.960
   91    HB   VAL  14           HB       VAL  14  -7.047   4.796   2.260
   92   1HG1  VAL  14          1HG1      VAL  14  -5.749   2.697   3.992
   93   2HG1  VAL  14          2HG1      VAL  14  -5.544   4.435   4.206
   94   3HG1  VAL  14          3HG1      VAL  14  -7.138   3.706   4.399
   95   1HG2  VAL  14          1HG2      VAL  14  -5.132   3.236   0.844
   96   2HG2  VAL  14          2HG2      VAL  14  -5.158   4.979   1.106
   97   3HG2  VAL  14          3HG2      VAL  14  -4.351   3.924   2.266
   98    H    ASN  15           H        ASN  15  -9.355   4.184   1.479
   99    HA   ASN  15           HA       ASN  15 -10.731   3.888   3.874
  100   1HB   ASN  15          1HB       ASN  15 -11.057   5.569   1.971
  101   2HB   ASN  15          2HB       ASN  15 -12.096   4.359   1.248
  102   2HD2  ASN  15          2HD2      ASN  15 -12.010   6.991   3.197
  103   1HD2  ASN  15          1HD2      ASN  15 -13.512   6.796   4.019
  104    H    LYS  16           H        LYS  16 -11.403   2.367   0.745
  105    HA   LYS  16           HA       LYS  16 -13.487   0.714   1.531
  106   1HB   LYS  16          1HB       LYS  16 -12.799   1.048  -0.822
  107   2HB   LYS  16          2HB       LYS  16 -11.355   0.086  -0.526
  108   1HG   LYS  16          1HG       LYS  16 -12.774  -1.853  -0.006
  109   2HG   LYS  16          2HG       LYS  16 -14.202  -0.883  -0.371
  110   1HD   LYS  16          1HD       LYS  16 -13.403  -0.569  -2.663
  111   2HD   LYS  16          2HD       LYS  16 -11.970  -1.535  -2.297
  112   1HE   LYS  16          1HE       LYS  16 -13.431  -3.454  -1.787
  113   2HE   LYS  16          2HE       LYS  16 -14.834  -2.482  -2.226
  114   1HZ   LYS  16          1HZ       LYS  16 -12.716  -2.645  -4.210
  115   2HZ   LYS  16          2HZ       LYS  16 -13.577  -4.074  -3.930
  116   3HZ   LYS  16          3HZ       LYS  16 -14.394  -2.672  -4.414
  117    H    ILE  17           H        ILE  17 -10.008   0.209   1.763
  118    HA   ILE  17           HA       ILE  17 -10.044  -2.482   2.565
  119    HB   ILE  17           HB       ILE  17  -8.065  -0.288   3.188
  120   1HG1  ILE  17          1HG1      ILE  17  -7.981  -2.557   1.185
  121   2HG1  ILE  17          2HG1      ILE  17  -8.337  -0.877   0.799
  122   1HG2  ILE  17          1HG2      ILE  17  -8.078  -2.225   4.819
  123   2HG2  ILE  17          2HG2      ILE  17  -7.560  -3.237   3.471
  124   3HG2  ILE  17          3HG2      ILE  17  -6.549  -1.893   4.006
  125   1HD1  ILE  17          1HD1      ILE  17  -6.083  -0.264   1.607
  126   2HD1  ILE  17          2HD1      ILE  17  -5.743  -1.977   1.848
  127   3HD1  ILE  17          3HD1      ILE  17  -6.064  -1.361   0.227
  128    H    LYS  18           H        LYS  18 -10.195   0.524   4.418
  129    HA   LYS  18           HA       LYS  18 -10.147  -0.636   6.992
  130   1HB   LYS  18          1HB       LYS  18  -9.729   1.757   6.543
  131   2HB   LYS  18          2HB       LYS  18 -11.410   1.960   6.088
  132   1HG   LYS  18          1HG       LYS  18 -12.071   1.290   8.375
  133   2HG   LYS  18          2HG       LYS  18 -10.363   1.226   8.814
  134   1HD   LYS  18          1HD       LYS  18 -11.814   3.667   7.790
  135   2HD   LYS  18          2HD       LYS  18 -11.428   3.347   9.481
  136   1HE   LYS  18          1HE       LYS  18  -9.045   3.353   8.940
  137   2HE   LYS  18          2HE       LYS  18  -9.428   3.655   7.245
  138   1HZ   LYS  18          1HZ       LYS  18 -10.329   5.487   9.381
  139   2HZ   LYS  18          2HZ       LYS  18  -8.798   5.638   8.678
  140   3HZ   LYS  18          3HZ       LYS  18 -10.185   5.791   7.722
  141    H    THR  19           H        THR  19 -12.844   0.667   5.109
  142    HA   THR  19           HA       THR  19 -14.903  -0.126   6.819
  143    HB   THR  19           HB       THR  19 -15.118   1.520   4.926
  144    HG1  THR  19           HG1      THR  19 -17.174  -0.247   4.411
  145   1HG2  THR  19          1HG2      THR  19 -15.249  -1.013   3.289
  146   2HG2  THR  19          2HG2      THR  19 -15.752   0.576   2.713
  147   3HG2  THR  19          3HG2      THR  19 -14.066   0.287   3.143
  148    H    ARG  20           H        ARG  20 -13.218  -1.913   4.327
  149    HA   ARG  20           HA       ARG  20 -15.100  -4.021   4.103
  150   1HB   ARG  20          1HB       ARG  20 -13.513  -3.705   2.336
  151   2HB   ARG  20          2HB       ARG  20 -12.156  -3.870   3.448
  152   1HG   ARG  20          1HG       ARG  20 -12.515  -5.862   2.041
  153   2HG   ARG  20          2HG       ARG  20 -12.639  -6.205   3.768
  154   1HD   ARG  20          1HD       ARG  20 -15.093  -6.048   3.584
  155   2HD   ARG  20          2HD       ARG  20 -14.928  -5.811   1.845
  156    HE   ARG  20           HE       ARG  20 -14.731  -8.067   1.644
  157   1HH1  ARG  20          1HH1      ARG  20 -13.754  -7.181   4.872
  158   2HH1  ARG  20          2HH1      ARG  20 -13.473  -8.815   5.373
  159   1HH2  ARG  20          1HH2      ARG  20 -14.360 -10.218   2.295
  160   2HH2  ARG  20          2HH2      ARG  20 -13.814 -10.540   3.907
  161    H    PHE  21           H        PHE  21 -11.948  -3.904   5.755
  162    HA   PHE  21           HA       PHE  21 -12.658  -6.292   7.255
  163   1HB   PHE  21          1HB       PHE  21 -10.075  -4.731   7.145
  164   2HB   PHE  21          2HB       PHE  21 -10.315  -6.234   8.026
  165    HD1  PHE  21           HD1      PHE  21 -10.259  -4.739   4.644
  166    HD2  PHE  21           HD2      PHE  21 -10.152  -8.313   6.949
  167    HE1  PHE  21           HE1      PHE  21  -9.616  -6.010   2.639
  168    HE2  PHE  21           HE2      PHE  21  -9.495  -9.589   4.956
  169    HZ   PHE  21           HZ       PHE  21  -9.232  -8.439   2.792
  170    H    LEU  22           H        LEU  22 -14.167  -3.984   7.954
  171    HA   LEU  22           HA       LEU  22 -13.214  -2.523  10.114
  172   1HB   LEU  22          1HB       LEU  22 -15.989  -3.506   9.486
  173   2HB   LEU  22          2HB       LEU  22 -15.647  -2.447  10.838
  174    HG   LEU  22           HG       LEU  22 -15.111  -1.781   7.942
  175   1HD1  LEU  22          1HD1      LEU  22 -17.514  -1.929   8.500
  176   2HD1  LEU  22          2HD1      LEU  22 -17.262  -0.738   9.777
  177   3HD1  LEU  22          3HD1      LEU  22 -16.999  -0.294   8.091
  178   1HD2  LEU  22          1HD2      LEU  22 -13.872  -0.744  10.139
  179   2HD2  LEU  22          2HD2      LEU  22 -14.101   0.104   8.610
  180   3HD2  LEU  22          3HD2      LEU  22 -15.235   0.357   9.937
  181    H    ASP  23           H        ASP  23 -14.484  -5.787   9.992
  182    HA   ASP  23           HA       ASP  23 -14.621  -6.138  12.825
  183   1HB   ASP  23          1HB       ASP  23 -16.041  -7.435  11.315
  184   2HB   ASP  23          2HB       ASP  23 -14.617  -8.180  10.599
  185    H    HIS  24           H        HIS  24 -12.274  -6.914  10.303
  186    HA   HIS  24           HA       HIS  24 -10.431  -7.927  12.333
  187   1HB   HIS  24          1HB       HIS  24 -10.455  -8.222   9.328
  188   2HB   HIS  24          2HB       HIS  24  -9.217  -8.862  10.387
  189    HD1  HIS  24           HD1      HIS  24 -10.418 -10.459  12.416
  190    HD2  HIS  24           HD2      HIS  24 -12.274 -10.107   8.716
  191    HE1  HIS  24           HE1      HIS  24 -11.961 -12.438  12.248
  192    HE2  HIS  24           HE2      HIS  24 -13.143 -12.151  10.042
  193    HA   PRO  25           HA       PRO  25  -8.888  -3.604  11.443
  194   1HB   PRO  25          1HB       PRO  25  -7.674  -3.413  13.885
  195   2HB   PRO  25          2HB       PRO  25  -9.331  -2.904  13.561
  196   1HG   PRO  25          1HG       PRO  25  -8.342  -5.477  14.740
  197   2HG   PRO  25          2HG       PRO  25  -9.701  -4.459  15.260
  198   1HD   PRO  25          1HD       PRO  25 -10.137  -6.664  13.827
  199   2HD   PRO  25          2HD       PRO  25 -11.066  -5.184  13.510
  200    H    GLU  26           H        GLU  26  -7.259  -6.362  12.954
  201    HA   GLU  26           HA       GLU  26  -4.625  -5.652  12.710
  202   1HB   GLU  26          1HB       GLU  26  -4.115  -8.056  12.546
  203   2HB   GLU  26          2HB       GLU  26  -5.318  -7.718  13.784
  204   1HG   GLU  26          1HG       GLU  26  -7.088  -8.433  12.269
  205   2HG   GLU  26          2HG       GLU  26  -5.890  -8.757  11.018
  206    H    ILE  27           H        ILE  27  -6.805  -6.727  10.184
  207    HA   ILE  27           HA       ILE  27  -4.893  -7.239   8.174
  208    HB   ILE  27           HB       ILE  27  -7.630  -6.138   7.604
  209   1HG1  ILE  27          1HG1      ILE  27  -7.698  -7.919   9.410
  210   2HG1  ILE  27          2HG1      ILE  27  -8.636  -8.259   7.967
  211   1HG2  ILE  27          1HG2      ILE  27  -5.535  -7.505   6.120
  212   2HG2  ILE  27          2HG2      ILE  27  -7.116  -8.263   5.931
  213   3HG2  ILE  27          3HG2      ILE  27  -6.904  -6.557   5.538
  214   1HD1  ILE  27          1HD1      ILE  27  -5.872  -9.311   8.104
  215   2HD1  ILE  27          2HD1      ILE  27  -7.117 -10.068   9.100
  216   3HD1  ILE  27          3HD1      ILE  27  -7.317  -9.991   7.349
  217    H    TYR  28           H        TYR  28  -6.828  -4.350   8.904
  218    HA   TYR  28           HA       TYR  28  -5.910  -2.704   6.857
  219   1HB   TYR  28          1HB       TYR  28  -7.839  -2.186   8.290
  220   2HB   TYR  28          2HB       TYR  28  -6.750  -1.903   9.639
  221    HD1  TYR  28           HD1      TYR  28  -7.039  -0.807   6.091
  222    HD2  TYR  28           HD2      TYR  28  -6.409   0.321  10.136
  223    HE1  TYR  28           HE1      TYR  28  -6.852   1.547   5.395
  224    HE2  TYR  28           HE2      TYR  28  -6.225   2.679   9.461
  225    HH   TYR  28           HH       TYR  28  -7.022   3.745   6.274
  226    H    ARG  29           H        ARG  29  -4.735  -2.985  10.197
  227    HA   ARG  29           HA       ARG  29  -2.681  -1.130  10.077
  228   1HB   ARG  29          1HB       ARG  29  -3.079  -3.643  11.673
  229   2HB   ARG  29          2HB       ARG  29  -1.648  -2.649  11.879
  230   1HG   ARG  29          1HG       ARG  29  -3.410  -2.202  13.534
  231   2HG   ARG  29          2HG       ARG  29  -2.977  -0.779  12.591
  232   1HD   ARG  29          1HD       ARG  29  -4.958  -1.156  11.179
  233   2HD   ARG  29          2HD       ARG  29  -5.384  -2.550  12.167
  234    HE   ARG  29           HE       ARG  29  -5.985   0.136  12.736
  235   1HH1  ARG  29          1HH1      ARG  29  -4.879  -2.768  14.327
  236   2HH1  ARG  29          2HH1      ARG  29  -5.512  -2.311  15.873
  237   1HH2  ARG  29          1HH2      ARG  29  -6.818   0.736  14.766
  238   2HH2  ARG  29          2HH2      ARG  29  -6.613  -0.322  16.123
  239    H    SER  30           H        SER  30  -2.509  -4.639   9.512
  240    HA   SER  30           HA       SER  30   0.174  -4.896   8.974
  241   1HB   SER  30          1HB       SER  30  -2.106  -6.351   7.615
  242   2HB   SER  30          2HB       SER  30  -0.422  -6.876   7.621
  243    HG   SER  30           HG       SER  30  -1.466  -7.944   9.264
  244    H    PHE  31           H        PHE  31  -2.395  -4.157   6.611
  245    HA   PHE  31           HA       PHE  31  -0.851  -3.957   4.322
  246   1HB   PHE  31          1HB       PHE  31  -3.236  -3.875   4.137
  247   2HB   PHE  31          2HB       PHE  31  -3.331  -2.454   5.173
  248    HD1  PHE  31           HD1      PHE  31  -1.872  -3.568   1.929
  249    HD2  PHE  31           HD2      PHE  31  -3.532  -0.376   4.207
  250    HE1  PHE  31           HE1      PHE  31  -1.812  -2.122  -0.060
  251    HE2  PHE  31           HE2      PHE  31  -3.479   1.073   2.219
  252    HZ   PHE  31           HZ       PHE  31  -2.615   0.201   0.083
  253    H    LEU  32           H        LEU  32  -1.629  -1.454   6.708
  254    HA   LEU  32           HA       LEU  32  -0.283   0.667   5.477
  255   1HB   LEU  32          1HB       LEU  32  -0.679   0.223   8.434
  256   2HB   LEU  32          2HB       LEU  32  -0.357   1.755   7.647
  257    HG   LEU  32           HG       LEU  32  -2.849   0.088   7.322
  258   1HD1  LEU  32          1HD1      LEU  32  -2.225   1.657   9.428
  259   2HD1  LEU  32          2HD1      LEU  32  -2.988   2.831   8.355
  260   3HD1  LEU  32          3HD1      LEU  32  -3.866   1.381   8.844
  261   1HD2  LEU  32          1HD2      LEU  32  -1.952   1.482   5.336
  262   2HD2  LEU  32          2HD2      LEU  32  -3.647   1.630   5.798
  263   3HD2  LEU  32          3HD2      LEU  32  -2.488   2.865   6.289
  264    H    GLU  33           H        GLU  33   0.826  -1.757   7.802
  265    HA   GLU  33           HA       GLU  33   3.418  -0.721   8.194
  266   1HB   GLU  33          1HB       GLU  33   2.006  -3.233   8.757
  267   2HB   GLU  33          2HB       GLU  33   3.723  -3.448   8.453
  268   1HG   GLU  33          1HG       GLU  33   3.318  -3.191  10.814
  269   2HG   GLU  33          2HG       GLU  33   4.236  -1.818  10.202
  270    H    ILE  34           H        ILE  34   1.998  -2.685   5.663
  271    HA   ILE  34           HA       ILE  34   4.345  -3.635   4.452
  272    HB   ILE  34           HB       ILE  34   1.709  -2.912   3.181
  273   1HG1  ILE  34          1HG1      ILE  34   2.817  -5.563   4.131
  274   2HG1  ILE  34          2HG1      ILE  34   1.591  -4.615   4.968
  275   1HG2  ILE  34          1HG2      ILE  34   4.101  -4.404   2.123
  276   2HG2  ILE  34          2HG2      ILE  34   2.490  -4.560   1.422
  277   3HG2  ILE  34          3HG2      ILE  34   3.299  -2.994   1.429
  278   1HD1  ILE  34          1HD1      ILE  34   0.132  -4.861   3.002
  279   2HD1  ILE  34          2HD1      ILE  34   1.349  -5.907   2.275
  280   3HD1  ILE  34          3HD1      ILE  34   0.546  -6.394   3.768
  281    H    LEU  35           H        LEU  35   2.330  -0.826   3.565
  282    HA   LEU  35           HA       LEU  35   4.144   0.276   1.711
  283   1HB   LEU  35          1HB       LEU  35   2.053   1.649   3.416
  284   2HB   LEU  35          2HB       LEU  35   2.866   2.381   2.041
  285    HG   LEU  35           HG       LEU  35   1.114  -0.074   1.855
  286   1HD1  LEU  35          1HD1      LEU  35   0.496   2.825   1.727
  287   2HD1  LEU  35          2HD1      LEU  35  -0.304   1.754   0.575
  288   3HD1  LEU  35          3HD1      LEU  35  -0.487   1.480   2.309
  289   1HD2  LEU  35          1HD2      LEU  35   3.008   0.973   0.091
  290   2HD2  LEU  35          2HD2      LEU  35   1.764  -0.228  -0.261
  291   3HD2  LEU  35          3HD2      LEU  35   1.441   1.487  -0.542
  292    H    HIS  36           H        HIS  36   3.722   0.630   5.163
  293    HA   HIS  36           HA       HIS  36   5.499   2.725   5.673
  294   1HB   HIS  36          1HB       HIS  36   4.251   0.538   7.236
  295   2HB   HIS  36          2HB       HIS  36   5.679   1.270   7.946
  296    HD1  HIS  36           HD1      HIS  36   5.368   4.165   7.589
  297    HD2  HIS  36           HD2      HIS  36   2.091   1.717   8.305
  298    HE1  HIS  36           HE1      HIS  36   3.591   5.680   8.521
  299    HE2  HIS  36           HE2      HIS  36   1.634   4.166   9.002
  300    H    THR  37           H        THR  37   6.020  -0.753   5.396
  301    HA   THR  37           HA       THR  37   8.704  -0.836   6.211
  302    HB   THR  37           HB       THR  37   7.287  -2.613   4.208
  303    HG1  THR  37           HG1      THR  37   7.531  -2.648   7.028
  304   1HG2  THR  37          1HG2      THR  37   9.983  -2.497   4.647
  305   2HG2  THR  37          2HG2      THR  37   9.479  -3.725   5.807
  306   3HG2  THR  37          3HG2      THR  37   9.110  -3.927   4.095
  307    H    TYR  38           H        TYR  38   7.167  -0.127   3.149
  308    HA   TYR  38           HA       TYR  38   9.406  -0.184   1.467
  309   1HB   TYR  38          1HB       TYR  38   7.215  -0.104   0.519
  310   2HB   TYR  38          2HB       TYR  38   6.823   1.375   1.378
  311    HD1  TYR  38           HD1      TYR  38   9.301   0.105  -1.120
  312    HD2  TYR  38           HD2      TYR  38   6.909   3.354   0.236
  313    HE1  TYR  38           HE1      TYR  38  10.022   1.439  -3.060
  314    HE2  TYR  38           HE2      TYR  38   7.623   4.696  -1.695
  315    HH   TYR  38           HH       TYR  38   9.325   4.823  -3.323
  316    H    GLN  39           H        GLN  39   7.806   2.609   2.951
  317    HA   GLN  39           HA       GLN  39   9.721   4.507   2.198
  318   1HB   GLN  39          1HB       GLN  39   7.685   4.498   4.409
  319   2HB   GLN  39          2HB       GLN  39   8.698   5.891   4.048
  320   1HG   GLN  39          1HG       GLN  39   6.816   4.573   2.109
  321   2HG   GLN  39          2HG       GLN  39   6.481   6.039   3.027
  322   2HE2  GLN  39          2HE2      GLN  39   6.945   7.899   2.107
  323   1HE2  GLN  39          1HE2      GLN  39   8.003   8.127   0.760
  324    H    LYS  40           H        LYS  40   9.463   2.595   5.179
  325    HA   LYS  40           HA       LYS  40  11.282   3.856   6.787
  326   1HB   LYS  40          1HB       LYS  40  10.709   0.922   6.456
  327   2HB   LYS  40          2HB       LYS  40  11.826   1.519   7.673
  328   1HG   LYS  40          1HG       LYS  40  10.025   2.869   8.648
  329   2HG   LYS  40          2HG       LYS  40   8.908   2.224   7.443
  330   1HD   LYS  40          1HD       LYS  40   9.266  -0.029   8.293
  331   2HD   LYS  40          2HD       LYS  40  10.434   0.582   9.466
  332   1HE   LYS  40          1HE       LYS  40   7.501   1.282   9.342
  333   2HE   LYS  40          2HE       LYS  40   8.261   0.196  10.506
  334   1HZ   LYS  40          1HZ       LYS  40   9.683   2.551  10.644
  335   2HZ   LYS  40          2HZ       LYS  40   8.062   3.026  10.566
  336   3HZ   LYS  40          3HZ       LYS  40   8.572   1.966  11.781
  337    H    GLU  41           H        GLU  41  12.091   1.291   4.434
  338    HA   GLU  41           HA       GLU  41  14.866   1.396   4.895
  339   1HB   GLU  41          1HB       GLU  41  13.321   0.464   2.473
  340   2HB   GLU  41          2HB       GLU  41  15.047   0.217   2.699
  341   1HG   GLU  41          1HG       GLU  41  14.566  -1.067   4.746
  342   2HG   GLU  41          2HG       GLU  41  12.842  -0.868   4.436
  343    H    GLN  42           H        GLN  42  12.797   3.089   2.592
  344    HA   GLN  42           HA       GLN  42  14.861   4.274   1.085
  345   1HB   GLN  42          1HB       GLN  42  12.541   4.144   0.298
  346   2HB   GLN  42          2HB       GLN  42  12.045   5.262   1.561
  347   1HG   GLN  42          1HG       GLN  42  13.347   7.028   0.575
  348   2HG   GLN  42          2HG       GLN  42  14.003   5.917  -0.625
  349   2HE2  GLN  42          2HE2      GLN  42  10.911   4.958  -0.230
  350   1HE2  GLN  42          1HE2      GLN  42  10.148   5.888  -1.466
  351    H    LEU  43           H        LEU  43  13.343   5.170   4.109
  352    HA   LEU  43           HA       LEU  43  14.074   7.844   4.272
  353   1HB   LEU  43          1HB       LEU  43  13.816   5.782   6.449
  354   2HB   LEU  43          2HB       LEU  43  14.009   7.498   6.751
  355    HG   LEU  43           HG       LEU  43  11.708   6.267   5.237
  356   1HD1  LEU  43          1HD1      LEU  43  11.952   7.211   8.084
  357   2HD1  LEU  43          2HD1      LEU  43  10.409   6.954   7.269
  358   3HD1  LEU  43          3HD1      LEU  43  11.515   5.600   7.511
  359   1HD2  LEU  43          1HD2      LEU  43  12.678   8.885   5.238
  360   2HD2  LEU  43          2HD2      LEU  43  11.108   8.327   4.657
  361   3HD2  LEU  43          3HD2      LEU  43  11.281   8.901   6.315
  362    H    HIS  44           H        HIS  44  15.734   5.458   6.313
  363    HA   HIS  44           HA       HIS  44  18.309   5.835   5.267
  364   1HB   HIS  44          1HB       HIS  44  19.291   7.259   7.054
  365   2HB   HIS  44          2HB       HIS  44  18.147   8.119   6.032
  366    HD1  HIS  44           HD1      HIS  44  18.480   9.599   8.435
  367    HD2  HIS  44           HD2      HIS  44  15.977   6.283   8.420
  368    HE1  HIS  44           HE1      HIS  44  16.943   9.908  10.400
  369    HE2  HIS  44           HE2      HIS  44  15.367   7.946  10.303
  370    H    THR  45           H        THR  45  16.859   3.652   6.145
  371    HA   THR  45           HA       THR  45  17.555   2.842   8.779
  372    HB   THR  45           HB       THR  45  16.898   0.560   8.014
  373    HG1  THR  45           HG1      THR  45  17.330   1.641   5.615
  374   1HG2  THR  45          1HG2      THR  45  15.089   2.914   7.563
  375   2HG2  THR  45          2HG2      THR  45  14.508   1.259   7.390
  376   3HG2  THR  45          3HG2      THR  45  15.146   1.811   8.939
  377    H    LYS  46           H        LYS  46  18.358   0.169   7.188
  378    HA   LYS  46           HA       LYS  46  20.911  -0.113   8.056
  379   1HB   LYS  46          1HB       LYS  46  19.774  -1.206   5.478
  380   2HB   LYS  46          2HB       LYS  46  21.220  -1.805   6.278
  381   1HG   LYS  46          1HG       LYS  46  18.440  -1.838   7.435
  382   2HG   LYS  46          2HG       LYS  46  19.276  -3.216   6.721
  383   1HD   LYS  46          1HD       LYS  46  21.014  -3.047   8.441
  384   2HD   LYS  46          2HD       LYS  46  20.175  -1.668   9.153
  385   1HE   LYS  46          1HE       LYS  46  19.074  -4.464   8.890
  386   2HE   LYS  46          2HE       LYS  46  19.708  -3.743  10.369
  387   1HZ   LYS  46          1HZ       LYS  46  17.830  -1.965   9.468
  388   2HZ   LYS  46          2HZ       LYS  46  17.125  -3.478   9.192
  389   3HZ   LYS  46          3HZ       LYS  46  17.644  -3.057  10.746
  390    H    GLY  47           H        GLY  47  19.886   1.457   5.058
  391   1HA   GLY  47          1HA       GLY  47  22.359   1.735   3.812
  392   2HA   GLY  47          2HA       GLY  47  22.223   3.060   4.956
  393    H    ARG  48           H        ARG  48  22.271   2.917   1.965
  394    HA   ARG  48           HA       ARG  48  20.295   4.937   1.507
  395   1HB   ARG  48          1HB       ARG  48  22.160   3.548  -0.425
  396   2HB   ARG  48          2HB       ARG  48  21.204   4.979  -0.785
  397   1HG   ARG  48          1HG       ARG  48  22.425   6.232   0.917
  398   2HG   ARG  48          2HG       ARG  48  23.382   4.795   1.286
  399   1HD   ARG  48          1HD       ARG  48  23.294   6.256  -1.352
  400   2HD   ARG  48          2HD       ARG  48  24.611   6.301  -0.180
  401    HE   ARG  48           HE       ARG  48  24.229   4.358  -2.171
  402   1HH1  ARG  48          1HH1      ARG  48  25.104   4.608   1.198
  403   2HH1  ARG  48          2HH1      ARG  48  26.034   3.147   1.193
  404   1HH2  ARG  48          1HH2      ARG  48  25.449   2.438  -2.179
  405   2HH2  ARG  48          2HH2      ARG  48  26.230   1.915  -0.724
  406    HA   PRO  49           HA       PRO  49  16.873   2.528   0.097
  407   1HB   PRO  49          1HB       PRO  49  15.921   4.222  -1.848
  408   2HB   PRO  49          2HB       PRO  49  15.598   4.409  -0.123
  409   1HG   PRO  49          1HG       PRO  49  17.638   5.779  -1.828
  410   2HG   PRO  49          2HG       PRO  49  16.611   6.453  -0.548
  411   1HD   PRO  49          1HD       PRO  49  19.189   5.881  -0.112
  412   2HD   PRO  49          2HD       PRO  49  17.960   5.619   1.145
  413    H    PHE  50           H        PHE  50  15.787   2.017  -2.163
  414    HA   PHE  50           HA       PHE  50  15.949   0.954  -4.165
  415   1HB   PHE  50          1HB       PHE  50  18.268   2.792  -4.174
  416   2HB   PHE  50          2HB       PHE  50  18.226   1.540  -5.415
  417    HD1  PHE  50           HD1      PHE  50  15.568   3.672  -3.884
  418    HD2  PHE  50           HD2      PHE  50  17.629   2.501  -7.419
  419    HE1  PHE  50           HE1      PHE  50  14.056   5.075  -5.226
  420    HE2  PHE  50           HE2      PHE  50  16.120   3.901  -8.767
  421    HZ   PHE  50           HZ       PHE  50  14.331   5.189  -7.672
  422    H    ARG  51           H        ARG  51  16.934  -0.875  -5.180
  423    HA   ARG  51           HA       ARG  51  17.841  -2.931  -5.131
  424   1HB   ARG  51          1HB       ARG  51  20.127  -1.407  -3.903
  425   2HB   ARG  51          2HB       ARG  51  20.212  -2.997  -4.632
  426   1HG   ARG  51          1HG       ARG  51  19.655  -2.110  -6.780
  427   2HG   ARG  51          2HG       ARG  51  19.416  -0.506  -6.086
  428   1HD   ARG  51          1HD       ARG  51  21.780  -0.442  -5.444
  429   2HD   ARG  51          2HD       ARG  51  22.013  -2.040  -6.151
  430    HE   ARG  51           HE       ARG  51  20.940  -0.368  -8.116
  431   1HH1  ARG  51          1HH1      ARG  51  23.869  -0.712  -6.258
  432   2HH1  ARG  51          2HH1      ARG  51  24.878  -0.015  -7.481
  433   1HH2  ARG  51          1HH2      ARG  51  22.262   0.552  -9.729
  434   2HH2  ARG  51          2HH2      ARG  51  23.964   0.707  -9.451
  435    H    GLY  52           H        GLY  52  16.085  -2.788  -3.200
  436   1HA   GLY  52          1HA       GLY  52  16.809  -3.069  -0.541
  437   2HA   GLY  52          2HA       GLY  52  17.005  -4.652  -1.270
  438    H    MET  53           H        MET  53  14.627  -2.229  -2.045
  439    HA   MET  53           HA       MET  53  12.475  -4.076  -1.973
  440   1HB   MET  53          1HB       MET  53  12.777  -3.702   0.443
  441   2HB   MET  53          2HB       MET  53  12.542  -1.980   0.196
  442   1HG   MET  53          1HG       MET  53  10.282  -2.379  -0.605
  443   2HG   MET  53          2HG       MET  53  10.503  -4.113  -0.395
  444   1HE   MET  53          1HE       MET  53   8.202  -3.176   0.428
  445   2HE   MET  53          2HE       MET  53   8.161  -4.194   1.868
  446   3HE   MET  53          3HE       MET  53   7.919  -2.453   2.012
  447    H    SER  54           H        SER  54  10.745  -3.321  -3.108
  448    HA   SER  54           HA       SER  54  10.454  -0.490  -3.619
  449   1HB   SER  54          1HB       SER  54  11.021  -2.528  -5.779
  450   2HB   SER  54          2HB       SER  54  10.430  -0.904  -6.079
  451    HG   SER  54           HG       SER  54  12.798  -1.421  -4.631
  452    H    GLU  55           H        GLU  55   8.798  -1.240  -6.029
  453    HA   GLU  55           HA       GLU  55   6.324  -1.536  -4.664
  454   1HB   GLU  55          1HB       GLU  55   7.029  -1.554  -7.598
  455   2HB   GLU  55          2HB       GLU  55   5.381  -1.685  -7.006
  456   1HG   GLU  55          1HG       GLU  55   5.757   0.575  -7.623
  457   2HG   GLU  55          2HG       GLU  55   5.682   0.504  -5.865
  458    H    GLU  56           H        GLU  56   8.510  -3.725  -6.248
  459    HA   GLU  56           HA       GLU  56   6.818  -5.856  -6.809
  460   1HB   GLU  56          1HB       GLU  56   8.844  -7.273  -6.664
  461   2HB   GLU  56          2HB       GLU  56   9.084  -5.822  -7.625
  462   1HG   GLU  56          1HG       GLU  56  10.217  -4.759  -5.741
  463   2HG   GLU  56          2HG       GLU  56   9.977  -6.215  -4.777
  464    H    GLU  57           H        GLU  57   8.692  -5.290  -3.809
  465    HA   GLU  57           HA       GLU  57   7.701  -7.596  -2.498
  466   1HB   GLU  57          1HB       GLU  57   9.757  -6.479  -1.772
  467   2HB   GLU  57          2HB       GLU  57   8.829  -5.062  -1.298
  468   1HG   GLU  57          1HG       GLU  57   9.281  -6.268   0.683
  469   2HG   GLU  57          2HG       GLU  57   7.577  -6.536   0.306
  470    H    VAL  58           H        VAL  58   6.797  -4.164  -2.225
  471    HA   VAL  58           HA       VAL  58   4.826  -4.388  -0.300
  472    HB   VAL  58           HB       VAL  58   4.788  -2.527  -2.682
  473   1HG1  VAL  58          1HG1      VAL  58   2.694  -2.863  -1.170
  474   2HG1  VAL  58          2HG1      VAL  58   3.611  -1.904  -0.009
  475   3HG1  VAL  58          3HG1      VAL  58   3.219  -1.234  -1.593
  476   1HG2  VAL  58          1HG2      VAL  58   6.756  -2.710  -0.801
  477   2HG2  VAL  58          2HG2      VAL  58   6.351  -1.248  -1.700
  478   3HG2  VAL  58          3HG2      VAL  58   5.684  -1.506  -0.088
  479    H    PHE  59           H        PHE  59   4.592  -4.871  -3.786
  480    HA   PHE  59           HA       PHE  59   1.814  -5.214  -3.965
  481   1HB   PHE  59          1HB       PHE  59   3.345  -4.895  -5.907
  482   2HB   PHE  59          2HB       PHE  59   3.948  -6.529  -5.662
  483    HD1  PHE  59           HD1      PHE  59   0.467  -5.198  -5.575
  484    HD2  PHE  59           HD2      PHE  59   3.277  -7.755  -7.495
  485    HE1  PHE  59           HE1      PHE  59  -1.320  -6.066  -7.028
  486    HE2  PHE  59           HE2      PHE  59   1.496  -8.624  -8.952
  487    HZ   PHE  59           HZ       PHE  59  -0.806  -7.781  -8.719
  488    H    THR  60           H        THR  60   4.424  -7.465  -3.250
  489    HA   THR  60           HA       THR  60   2.817  -9.807  -3.272
  490    HB   THR  60           HB       THR  60   5.486  -9.327  -1.936
  491    HG1  THR  60           HG1      THR  60   6.336  -9.746  -3.851
  492   1HG2  THR  60          1HG2      THR  60   3.774 -11.734  -2.254
  493   2HG2  THR  60          2HG2      THR  60   5.512 -11.934  -2.471
  494   3HG2  THR  60          3HG2      THR  60   4.882 -11.296  -0.953
  495    H    GLU  61           H        GLU  61   4.067  -7.775  -0.630
  496    HA   GLU  61           HA       GLU  61   3.058  -9.237   1.508
  497   1HB   GLU  61          1HB       GLU  61   3.480  -6.256   1.288
  498   2HB   GLU  61          2HB       GLU  61   3.229  -7.129   2.792
  499   1HG   GLU  61          1HG       GLU  61   5.528  -7.562   0.899
  500   2HG   GLU  61          2HG       GLU  61   5.589  -6.602   2.376
  501    H    VAL  62           H        VAL  62   1.568  -6.551  -0.287
  502    HA   VAL  62           HA       VAL  62  -0.812  -6.471   1.235
  503    HB   VAL  62           HB       VAL  62  -0.394  -5.656  -1.651
  504   1HG1  VAL  62          1HG1      VAL  62  -2.674  -5.384   0.234
  505   2HG1  VAL  62          2HG1      VAL  62  -2.332  -4.040  -0.855
  506   3HG1  VAL  62          3HG1      VAL  62  -2.672  -5.643  -1.511
  507   1HG2  VAL  62          1HG2      VAL  62   0.445  -4.480   0.865
  508   2HG2  VAL  62          2HG2      VAL  62   0.911  -4.067  -0.784
  509   3HG2  VAL  62          3HG2      VAL  62  -0.556  -3.382  -0.085
  510    H    ALA  63           H        ALA  63   0.125  -8.218  -1.694
  511    HA   ALA  63           HA       ALA  63  -2.380  -9.354  -2.284
  512   1HB   ALA  63          1HB       ALA  63   0.016 -10.974  -2.877
  513   2HB   ALA  63          2HB       ALA  63  -1.301 -10.467  -3.933
  514   3HB   ALA  63          3HB       ALA  63  -0.002  -9.341  -3.543
  515    H    ASN  64           H        ASN  64   0.274 -10.374  -0.212
  516    HA   ASN  64           HA       ASN  64  -0.670 -12.926   0.461
  517   1HB   ASN  64          1HB       ASN  64   1.139 -10.970   1.871
  518   2HB   ASN  64          2HB       ASN  64   0.737 -12.535   2.575
  519   2HD2  ASN  64          2HD2      ASN  64   3.088 -11.017   0.988
  520   1HD2  ASN  64          1HD2      ASN  64   3.752 -12.327   0.079
  521    H    LEU  65           H        LEU  65  -1.269  -9.747   1.862
  522    HA   LEU  65           HA       LEU  65  -2.814 -10.606   4.073
  523   1HB   LEU  65          1HB       LEU  65  -2.153  -8.101   2.715
  524   2HB   LEU  65          2HB       LEU  65  -3.754  -8.107   3.417
  525    HG   LEU  65           HG       LEU  65  -1.227  -8.703   4.948
  526   1HD1  LEU  65          1HD1      LEU  65  -2.196  -6.254   3.974
  527   2HD1  LEU  65          2HD1      LEU  65  -2.568  -6.292   5.698
  528   3HD1  LEU  65          3HD1      LEU  65  -0.907  -6.518   5.150
  529   1HD2  LEU  65          1HD2      LEU  65  -4.097  -8.804   5.564
  530   2HD2  LEU  65          2HD2      LEU  65  -2.737  -9.602   6.355
  531   3HD2  LEU  65          3HD2      LEU  65  -3.117  -7.922   6.736
  532    H    PHE  66           H        PHE  66  -3.849  -8.933   1.137
  533    HA   PHE  66           HA       PHE  66  -6.590  -9.685   1.463
  534   1HB   PHE  66          1HB       PHE  66  -5.201  -8.441  -0.920
  535   2HB   PHE  66          2HB       PHE  66  -6.935  -8.482  -0.637
  536    HD1  PHE  66           HD1      PHE  66  -5.985  -7.944   2.527
  537    HD2  PHE  66           HD2      PHE  66  -5.738  -5.969  -1.241
  538    HE1  PHE  66           HE1      PHE  66  -5.821  -5.777   3.676
  539    HE2  PHE  66           HE2      PHE  66  -5.577  -3.799  -0.092
  540    HZ   PHE  66           HZ       PHE  66  -5.617  -3.702   2.368
  541    H    ARG  67           H        ARG  67  -5.045 -12.005   1.376
  542    HA   ARG  67           HA       ARG  67  -4.770 -13.217  -1.119
  543   1HB   ARG  67          1HB       ARG  67  -3.832 -14.116   0.987
  544   2HB   ARG  67          2HB       ARG  67  -5.455 -14.538   1.515
  545   1HG   ARG  67          1HG       ARG  67  -5.661 -16.084  -0.371
  546   2HG   ARG  67          2HG       ARG  67  -4.025 -15.669  -0.883
  547   1HD   ARG  67          1HD       ARG  67  -3.179 -16.472   1.298
  548   2HD   ARG  67          2HD       ARG  67  -4.818 -16.963   1.723
  549    HE   ARG  67           HE       ARG  67  -4.150 -18.160  -0.713
  550   1HH1  ARG  67          1HH1      ARG  67  -3.220 -18.289   2.644
  551   2HH1  ARG  67          2HH1      ARG  67  -2.727 -19.948   2.576
  552   1HH2  ARG  67          1HH2      ARG  67  -3.502 -20.343  -0.810
  553   2HH2  ARG  67          2HH2      ARG  67  -2.887 -21.115   0.613
  554    H    GLY  68           H        GLY  68  -6.150 -14.187  -2.504
  555   1HA   GLY  68          1HA       GLY  68  -8.792 -15.018  -1.688
  556   2HA   GLY  68          2HA       GLY  68  -8.114 -15.132  -3.305
  557    H    GLN  69           H        GLN  69  -8.452 -12.266  -1.255
  558    HA   GLN  69           HA       GLN  69 -10.689 -11.248  -2.754
  559   1HB   GLN  69          1HB       GLN  69  -8.955  -9.937  -0.652
  560   2HB   GLN  69          2HB       GLN  69 -10.437  -9.256  -1.309
  561   1HG   GLN  69          1HG       GLN  69 -11.708 -11.127  -0.412
  562   2HG   GLN  69          2HG       GLN  69 -10.226 -11.838   0.223
  563   2HE2  GLN  69          2HE2      GLN  69  -9.980 -11.535   2.304
  564   1HE2  GLN  69          1HE2      GLN  69 -10.498 -10.158   3.210
  565    H    GLU  70           H        GLU  70  -9.112 -11.619  -4.721
  566    HA   GLU  70           HA       GLU  70  -7.087  -9.776  -5.286
  567   1HB   GLU  70          1HB       GLU  70  -8.904 -11.285  -7.163
  568   2HB   GLU  70          2HB       GLU  70  -7.450 -10.426  -7.656
  569   1HG   GLU  70          1HG       GLU  70  -6.078 -11.890  -6.341
  570   2HG   GLU  70          2HG       GLU  70  -7.504 -12.677  -5.668
  571    H    ASP  71           H        ASP  71 -10.342  -9.129  -4.888
  572    HA   ASP  71           HA       ASP  71 -10.861  -7.318  -6.969
  573   1HB   ASP  71          1HB       ASP  71 -12.588  -6.371  -5.419
  574   2HB   ASP  71          2HB       ASP  71 -12.694  -8.111  -5.651
  575    H    LEU  72           H        LEU  72  -9.461  -6.841  -3.753
  576    HA   LEU  72           HA       LEU  72  -9.111  -4.022  -4.079
  577   1HB   LEU  72          1HB       LEU  72  -7.799  -5.956  -2.162
  578   2HB   LEU  72          2HB       LEU  72  -7.675  -4.210  -2.067
  579    HG   LEU  72           HG       LEU  72 -10.226  -5.796  -1.774
  580   1HD1  LEU  72          1HD1      LEU  72  -8.391  -4.502   0.226
  581   2HD1  LEU  72          2HD1      LEU  72 -10.068  -4.909   0.590
  582   3HD1  LEU  72          3HD1      LEU  72  -8.925  -6.181   0.158
  583   1HD2  LEU  72          1HD2      LEU  72 -10.066  -3.272  -2.677
  584   2HD2  LEU  72          2HD2      LEU  72 -11.384  -3.855  -1.660
  585   3HD2  LEU  72          3HD2      LEU  72 -10.042  -2.967  -0.939
  586    H    LEU  73           H        LEU  73  -7.079  -6.878  -4.491
  587    HA   LEU  73           HA       LEU  73  -4.630  -5.710  -4.917
  588   1HB   LEU  73          1HB       LEU  73  -5.979  -8.232  -5.357
  589   2HB   LEU  73          2HB       LEU  73  -4.799  -7.905  -6.581
  590    HG   LEU  73           HG       LEU  73  -3.744  -9.211  -4.883
  591   1HD1  LEU  73          1HD1      LEU  73  -2.942  -6.427  -5.281
  592   2HD1  LEU  73          2HD1      LEU  73  -2.288  -7.167  -3.819
  593   3HD1  LEU  73          3HD1      LEU  73  -1.994  -7.911  -5.392
  594   1HD2  LEU  73          1HD2      LEU  73  -5.471  -8.565  -3.164
  595   2HD2  LEU  73          2HD2      LEU  73  -3.814  -8.718  -2.579
  596   3HD2  LEU  73          3HD2      LEU  73  -4.502  -7.121  -2.866
  597    H    SER  74           H        SER  74  -7.350  -6.184  -7.085
  598    HA   SER  74           HA       SER  74  -6.099  -5.641  -9.522
  599   1HB   SER  74          1HB       SER  74  -8.387  -6.548  -9.316
  600   2HB   SER  74          2HB       SER  74  -8.937  -4.993  -8.689
  601    HG   SER  74           HG       SER  74  -8.418  -5.762 -11.270
  602    H    GLU  75           H        GLU  75  -7.494  -3.499  -7.096
  603    HA   GLU  75           HA       GLU  75  -7.197  -1.102  -8.593
  604   1HB   GLU  75          1HB       GLU  75  -7.524  -1.584  -5.640
  605   2HB   GLU  75          2HB       GLU  75  -7.562   0.005  -6.391
  606   1HG   GLU  75          1HG       GLU  75  -9.460  -2.264  -6.935
  607   2HG   GLU  75          2HG       GLU  75  -9.791  -0.824  -5.988
  608    H    PHE  76           H        PHE  76  -5.352  -2.505  -5.908
  609    HA   PHE  76           HA       PHE  76  -3.354  -0.575  -5.703
  610   1HB   PHE  76          1HB       PHE  76  -3.784  -2.390  -4.068
  611   2HB   PHE  76          2HB       PHE  76  -3.115  -3.550  -5.205
  612    HD1  PHE  76           HD1      PHE  76  -1.911  -0.166  -4.192
  613    HD2  PHE  76           HD2      PHE  76  -1.179  -4.358  -4.269
  614    HE1  PHE  76           HE1      PHE  76   0.322   0.211  -3.235
  615    HE2  PHE  76           HE2      PHE  76   1.056  -3.989  -3.313
  616    HZ   PHE  76           HZ       PHE  76   1.810  -1.701  -2.797
  617    H    GLY  77           H        GLY  77  -3.582  -3.422  -7.753
  618   1HA   GLY  77          1HA       GLY  77  -2.406  -4.094  -9.596
  619   2HA   GLY  77          2HA       GLY  77  -0.987  -3.480  -8.766
  620    H    GLN  78           H        GLN  78  -3.754  -1.546  -9.822
  621    HA   GLN  78           HA       GLN  78  -2.783  -0.689 -12.276
  622   1HB   GLN  78          1HB       GLN  78  -4.530   0.745 -10.280
  623   2HB   GLN  78          2HB       GLN  78  -4.207   1.357 -11.897
  624   1HG   GLN  78          1HG       GLN  78  -5.170  -0.712 -12.835
  625   2HG   GLN  78          2HG       GLN  78  -5.568  -1.235 -11.199
  626   2HE2  GLN  78          2HE2      GLN  78  -7.616  -0.952 -10.749
  627   1HE2  GLN  78          1HE2      GLN  78  -8.612   0.353 -11.281
  628    H    PHE  79           H        PHE  79  -2.250   0.761  -9.069
  629    HA   PHE  79           HA       PHE  79  -0.759   2.968  -9.965
  630   1HB   PHE  79          1HB       PHE  79  -0.801   1.502  -7.329
  631   2HB   PHE  79          2HB       PHE  79   0.195   2.927  -7.597
  632    HD1  PHE  79           HD1      PHE  79  -3.333   2.063  -8.497
  633    HD2  PHE  79           HD2      PHE  79  -0.681   4.726  -6.502
  634    HE1  PHE  79           HE1      PHE  79  -5.234   3.506  -7.905
  635    HE2  PHE  79           HE2      PHE  79  -2.577   6.175  -5.907
  636    HZ   PHE  79           HZ       PHE  79  -4.858   5.566  -6.608
  637    H    LEU  80           H        LEU  80   0.275  -0.222  -8.821
  638    HA   LEU  80           HA       LEU  80   3.053   0.269  -9.247
  639   1HB   LEU  80          1HB       LEU  80   1.705  -2.419  -9.058
  640   2HB   LEU  80          2HB       LEU  80   3.372  -2.029  -8.681
  641    HG   LEU  80           HG       LEU  80   0.934  -1.191  -7.113
  642   1HD1  LEU  80          1HD1      LEU  80   3.089  -3.224  -6.708
  643   2HD1  LEU  80          2HD1      LEU  80   2.241  -2.516  -5.334
  644   3HD1  LEU  80          3HD1      LEU  80   1.342  -3.404  -6.563
  645   1HD2  LEU  80          1HD2      LEU  80   2.992   0.420  -7.309
  646   2HD2  LEU  80          2HD2      LEU  80   2.228   0.116  -5.748
  647   3HD2  LEU  80          3HD2      LEU  80   3.723  -0.719  -6.178
  648    HA   PRO  81           HA       PRO  81   3.698  -0.499 -13.540
  649   1HB   PRO  81          1HB       PRO  81   5.625  -2.531 -13.396
  650   2HB   PRO  81          2HB       PRO  81   5.941  -0.795 -13.437
  651   1HG   PRO  81          1HG       PRO  81   5.839  -2.649 -11.107
  652   2HG   PRO  81          2HG       PRO  81   6.880  -1.240 -11.382
  653   1HD   PRO  81          1HD       PRO  81   4.799  -1.127  -9.699
  654   2HD   PRO  81          2HD       PRO  81   5.232   0.260 -10.724
  655    H    GLU  82           H        GLU  82   2.861  -1.781 -15.109
  656    HA   GLU  82           HA       GLU  82   0.914  -3.620 -14.618
  657   1HB   GLU  82          1HB       GLU  82   1.288  -2.564 -16.801
  658   2HB   GLU  82          2HB       GLU  82   2.728  -3.546 -17.035
  659   1HG   GLU  82          1HG       GLU  82   1.367  -5.564 -17.042
  660   2HG   GLU  82          2HG       GLU  82  -0.081  -4.595 -16.773
  661    H    ALA  83           H        ALA  83   4.334  -4.347 -15.270
  662    HA   ALA  83           HA       ALA  83   4.344  -6.644 -13.632
  663   1HB   ALA  83          1HB       ALA  83   4.398  -7.288 -16.575
  664   2HB   ALA  83          2HB       ALA  83   2.980  -7.500 -15.549
  665   3HB   ALA  83          3HB       ALA  83   4.449  -8.421 -15.225
  666    H    LYS  84           H        LYS  84   6.246  -7.913 -15.768
  667    HA   LYS  84           HA       LYS  84   8.444  -6.010 -15.725
  668   1HB   LYS  84          1HB       LYS  84   8.635  -8.708 -14.368
  669   2HB   LYS  84          2HB       LYS  84   9.982  -7.614 -14.645
  670   1HG   LYS  84          1HG       LYS  84   8.891  -5.942 -13.209
  671   2HG   LYS  84          2HG       LYS  84   7.586  -7.088 -12.898
  672   1HD   LYS  84          1HD       LYS  84  10.499  -7.521 -12.233
  673   2HD   LYS  84          2HD       LYS  84   9.242  -7.062 -11.082
  674   1HE   LYS  84          1HE       LYS  84   8.057  -9.151 -11.541
  675   2HE   LYS  84          2HE       LYS  84   9.301  -9.606 -12.705
  676   1HZ   LYS  84          1HZ       LYS  84   9.852  -9.088  -9.836
  677   2HZ   LYS  84          2HZ       LYS  84   9.545 -10.628 -10.466
  678   3HZ   LYS  84          3HZ       LYS  84  10.904  -9.759 -10.977
  679    H    ARG  85           H        ARG  85  10.343  -8.278 -16.148
  680    HA   ARG  85           HA       ARG  85   9.976  -8.495 -18.993
  681   1HB   ARG  85          1HB       ARG  85  12.104  -9.690 -17.208
  682   2HB   ARG  85          2HB       ARG  85  12.153  -9.626 -18.965
  683   1HG   ARG  85          1HG       ARG  85  12.191  -7.189 -18.883
  684   2HG   ARG  85          2HG       ARG  85  12.126  -7.246 -17.120
  685   1HD   ARG  85          1HD       ARG  85  14.257  -8.481 -17.108
  686   2HD   ARG  85          2HD       ARG  85  14.325  -8.348 -18.865
  687    HE   ARG  85           HE       ARG  85  14.046  -5.778 -17.809
  688   1HH1  ARG  85          1HH1      ARG  85  16.378  -8.367 -17.867
  689   2HH1  ARG  85          2HH1      ARG  85  17.743  -7.313 -17.716
  690   1HH2  ARG  85          1HH2      ARG  85  15.836  -4.384 -17.609
  691   2HH2  ARG  85          2HH2      ARG  85  17.434  -5.047 -17.566
  692    H1   ASN   1           H1       ASN   1   4.071   7.066  -5.660
  693    H2   ASN   1           H2       ASN   1   4.286   5.900  -6.866
  694    H3   ASN   1           H3       ASN   1   3.748   7.450  -7.276
  695    HA   ASN   1           HA       ASN   1   1.643   7.108  -6.538
  696   1HB   ASN   1          1HB       ASN   1   2.652   4.356  -7.299
  697   2HB   ASN   1          2HB       ASN   1   0.961   4.848  -7.296
  698   2HD2  ASN   1          2HD2      ASN   1   3.534   4.358  -9.224
  699   1HD2  ASN   1          1HD2      ASN   1   3.142   5.420 -10.530
  700    H    ILE   2           H        ILE   2   3.818   4.773  -5.018
  701    HA   ILE   2           HA       ILE   2   2.046   3.740  -3.115
  702    HB   ILE   2           HB       ILE   2   5.039   4.106  -2.937
  703   1HG1  ILE   2          1HG1      ILE   2   4.306   2.646  -4.763
  704   2HG1  ILE   2          2HG1      ILE   2   5.102   1.710  -3.502
  705   1HG2  ILE   2          1HG2      ILE   2   3.126   2.662  -1.123
  706   2HG2  ILE   2          2HG2      ILE   2   4.845   2.273  -1.192
  707   3HG2  ILE   2          3HG2      ILE   2   4.326   3.885  -0.702
  708   1HD1  ILE   2          1HD1      ILE   2   2.261   1.846  -3.047
  709   2HD1  ILE   2          2HD1      ILE   2   2.625   1.216  -4.654
  710   3HD1  ILE   2          3HD1      ILE   2   3.310   0.440  -3.226
  711    H    GLN   3           H        GLN   3   4.039   6.639  -3.091
  712    HA   GLN   3           HA       GLN   3   3.823   7.377  -0.424
  713   1HB   GLN   3          1HB       GLN   3   5.238   8.486  -2.166
  714   2HB   GLN   3          2HB       GLN   3   3.788   9.225  -2.822
  715   1HG   GLN   3          1HG       GLN   3   4.617   9.658   0.026
  716   2HG   GLN   3          2HG       GLN   3   5.286  10.619  -1.289
  717   2HE2  GLN   3          2HE2      GLN   3   4.137  12.281  -2.077
  718   1HE2  GLN   3          1HE2      GLN   3   2.545  12.711  -1.562
  719    H    MET   4           H        MET   4   1.662   8.089  -3.139
  720    HA   MET   4           HA       MET   4  -0.196   9.658  -1.774
  721   1HB   MET   4          1HB       MET   4  -0.654   7.813  -4.124
  722   2HB   MET   4          2HB       MET   4  -1.730   9.109  -3.619
  723   1HG   MET   4          1HG       MET   4   0.001  10.751  -4.090
  724   2HG   MET   4          2HG       MET   4   1.107   9.462  -4.561
  725   1HE   MET   4          1HE       MET   4   0.461  11.990  -6.356
  726   2HE   MET   4          2HE       MET   4   1.547  10.714  -6.908
  727   3HE   MET   4          3HE       MET   4   0.237  11.269  -7.950
  728    H    LEU   5           H        LEU   5  -0.277   6.132  -2.391
  729    HA   LEU   5           HA       LEU   5  -2.724   5.664  -1.092
  730   1HB   LEU   5          1HB       LEU   5  -0.361   3.833  -1.521
  731   2HB   LEU   5          2HB       LEU   5  -1.903   3.301  -0.879
  732    HG   LEU   5           HG       LEU   5  -1.472   4.491  -3.622
  733   1HD1  LEU   5          1HD1      LEU   5  -0.569   2.170  -3.190
  734   2HD1  LEU   5          2HD1      LEU   5  -2.240   1.672  -2.925
  735   3HD1  LEU   5          3HD1      LEU   5  -1.751   2.318  -4.492
  736   1HD2  LEU   5          1HD2      LEU   5  -3.744   4.703  -2.245
  737   2HD2  LEU   5          2HD2      LEU   5  -3.712   4.411  -3.984
  738   3HD2  LEU   5          3HD2      LEU   5  -3.957   3.067  -2.869
  739    H    LEU   6           H        LEU   6   0.598   5.429   0.110
  740    HA   LEU   6           HA       LEU   6  -0.013   4.606   2.719
  741   1HB   LEU   6          1HB       LEU   6   2.223   4.459   1.745
  742   2HB   LEU   6          2HB       LEU   6   2.331   6.206   1.690
  743    HG   LEU   6           HG       LEU   6   2.337   6.311   4.125
  744   1HD1  LEU   6          1HD1      LEU   6   2.025   3.327   3.924
  745   2HD1  LEU   6          2HD1      LEU   6   2.608   4.136   5.378
  746   3HD1  LEU   6          3HD1      LEU   6   0.989   4.477   4.768
  747   1HD2  LEU   6          1HD2      LEU   6   4.332   4.766   2.591
  748   2HD2  LEU   6          2HD2      LEU   6   4.517   6.248   3.530
  749   3HD2  LEU   6          3HD2      LEU   6   4.460   4.687   4.349
  750    H    GLU   7           H        GLU   7   0.240   7.791   1.257
  751    HA   GLU   7           HA       GLU   7   0.059   9.303   3.646
  752   1HB   GLU   7          1HB       GLU   7   0.688   9.935   1.123
  753   2HB   GLU   7          2HB       GLU   7  -1.010  10.385   1.080
  754   1HG   GLU   7          1HG       GLU   7   0.905  11.415   3.153
  755   2HG   GLU   7          2HG       GLU   7   0.613  12.224   1.616
  756    H    ALA   8           H        ALA   8  -2.296   8.049   1.360
  757    HA   ALA   8           HA       ALA   8  -4.602   9.338   2.124
  758   1HB   ALA   8          1HB       ALA   8  -4.804   7.984   0.255
  759   2HB   ALA   8          2HB       ALA   8  -5.713   7.091   1.474
  760   3HB   ALA   8          3HB       ALA   8  -4.073   6.593   1.056
  761    H    ALA   9           H        ALA   9  -3.143   6.455   3.585
  762    HA   ALA   9           HA       ALA   9  -5.165   5.831   5.393
  763   1HB   ALA   9          1HB       ALA   9  -2.613   4.890   4.835
  764   2HB   ALA   9          2HB       ALA   9  -2.540   5.386   6.526
  765   3HB   ALA   9          3HB       ALA   9  -3.754   4.220   5.999
  766    H    ASP  10           H        ASP  10  -2.426   8.053   5.739
  767    HA   ASP  10           HA       ASP  10  -2.841   8.725   8.436
  768   1HB   ASP  10          1HB       ASP  10  -0.770   9.233   7.167
  769   2HB   ASP  10          2HB       ASP  10  -1.652  10.445   6.245
  770    H    TYR  11           H        TYR  11  -4.109  10.093   5.445
  771    HA   TYR  11           HA       TYR  11  -5.377  12.354   6.481
  772   1HB   TYR  11          1HB       TYR  11  -5.100  12.089   4.107
  773   2HB   TYR  11          2HB       TYR  11  -6.063  10.615   4.107
  774    HD1  TYR  11           HD1      TYR  11  -6.488  14.158   5.263
  775    HD2  TYR  11           HD2      TYR  11  -8.159  10.828   3.211
  776    HE1  TYR  11           HE1      TYR  11  -8.508  15.475   4.784
  777    HE2  TYR  11           HE2      TYR  11 -10.182  12.135   2.722
  778    HH   TYR  11           HH       TYR  11 -11.372  14.054   3.517
  779    H    LEU  12           H        LEU  12  -6.780   9.141   5.815
  780    HA   LEU  12           HA       LEU  12  -9.325   9.737   6.868
  781   1HB   LEU  12          1HB       LEU  12  -7.941   7.074   6.550
  782   2HB   LEU  12          2HB       LEU  12  -9.645   7.279   6.907
  783    HG   LEU  12           HG       LEU  12  -8.278   8.230   4.386
  784   1HD1  LEU  12          1HD1      LEU  12  -9.873   5.778   5.043
  785   2HD1  LEU  12          2HD1      LEU  12  -9.804   6.416   3.400
  786   3HD1  LEU  12          3HD1      LEU  12  -8.323   5.905   4.211
  787   1HD2  LEU  12          1HD2      LEU  12 -11.190   8.181   5.171
  788   2HD2  LEU  12          2HD2      LEU  12 -10.183   9.618   4.991
  789   3HD2  LEU  12          3HD2      LEU  12 -10.558   8.624   3.585
  790    H    GLU  13           H        GLU  13  -6.567   8.006   8.302
  791    HA   GLU  13           HA       GLU  13  -7.806   7.582  10.811
  792   1HB   GLU  13          1HB       GLU  13  -5.900   6.246  10.041
  793   2HB   GLU  13          2HB       GLU  13  -4.869   7.668  10.096
  794   1HG   GLU  13          1HG       GLU  13  -5.179   7.810  12.509
  795   2HG   GLU  13          2HG       GLU  13  -6.227   6.393  12.460

  No H/Q in entry =         795
  Start of MODEL   10
    1    H1   GLU   1           H1       GLU   1  -4.613  24.553  -2.779
    2    H2   GLU   1           H2       GLU   1  -5.923  24.193  -1.771
    3    H3   GLU   1           H3       GLU   1  -5.076  25.645  -1.573
    4    HA   GLU   1           HA       GLU   1  -3.098  24.451  -0.912
    5   1HB   GLU   1          1HB       GLU   1  -5.593  23.662   0.606
    6   2HB   GLU   1          2HB       GLU   1  -3.960  23.646   1.258
    7   1HG   GLU   1          1HG       GLU   1  -5.477  26.071   0.319
    8   2HG   GLU   1          2HG       GLU   1  -5.171  25.610   1.993
    9    H    SER   2           H        SER   2  -3.701  22.928  -3.128
   10    HA   SER   2           HA       SER   2  -3.364  20.865  -4.011
   11   1HB   SER   2          1HB       SER   2  -2.499  20.154  -1.198
   12   2HB   SER   2          2HB       SER   2  -2.226  19.161  -2.630
   13    HG   SER   2           HG       SER   2  -0.393  20.311  -2.430
   14    H    ASP   3           H        ASP   3  -4.786  19.355  -4.601
   15    HA   ASP   3           HA       ASP   3  -6.286  17.735  -2.862
   16   1HB   ASP   3          1HB       ASP   3  -7.460  19.905  -2.436
   17   2HB   ASP   3          2HB       ASP   3  -7.901  19.956  -4.139
   18    H    SER   4           H        SER   4  -4.743  17.246  -5.084
   19    HA   SER   4           HA       SER   4  -6.133  17.080  -7.505
   20   1HB   SER   4          1HB       SER   4  -3.855  16.860  -7.759
   21   2HB   SER   4          2HB       SER   4  -3.699  15.721  -6.424
   22    HG   SER   4           HG       SER   4  -4.493  15.293  -9.074
   23    H    VAL   5           H        VAL   5  -7.078  15.439  -8.566
   24    HA   VAL   5           HA       VAL   5  -8.882  13.811  -7.201
   25    HB   VAL   5           HB       VAL   5  -7.744  13.583  -9.990
   26   1HG1  VAL   5          1HG1      VAL   5  -8.798  11.449  -8.969
   27   2HG1  VAL   5          2HG1      VAL   5 -10.328  12.315  -9.123
   28   3HG1  VAL   5          3HG1      VAL   5  -9.354  11.983 -10.556
   29   1HG2  VAL   5          1HG2      VAL   5  -8.938  15.648  -9.577
   30   2HG2  VAL   5          2HG2      VAL   5  -9.865  14.616 -10.666
   31   3HG2  VAL   5          3HG2      VAL   5 -10.329  14.750  -8.970
   32    H    GLU   6           H        GLU   6  -5.635  13.200  -8.400
   33    HA   GLU   6           HA       GLU   6  -5.547  10.428  -8.140
   34   1HB   GLU   6          1HB       GLU   6  -3.304  12.390  -7.623
   35   2HB   GLU   6          2HB       GLU   6  -3.122  10.678  -7.976
   36   1HG   GLU   6          1HG       GLU   6  -4.090  11.023 -10.188
   37   2HG   GLU   6          2HG       GLU   6  -4.278  12.741  -9.837
   38    H    PHE   7           H        PHE   7  -5.125  12.981  -5.762
   39    HA   PHE   7           HA       PHE   7  -4.242  11.356  -3.631
   40   1HB   PHE   7          1HB       PHE   7  -4.029  13.829  -3.670
   41   2HB   PHE   7          2HB       PHE   7  -5.775  13.962  -3.502
   42    HD1  PHE   7           HD1      PHE   7  -3.369  11.707  -1.768
   43    HD2  PHE   7           HD2      PHE   7  -6.150  14.911  -1.433
   44    HE1  PHE   7           HE1      PHE   7  -3.147  11.639   0.682
   45    HE2  PHE   7           HE2      PHE   7  -5.934  14.849   1.017
   46    HZ   PHE   7           HZ       PHE   7  -4.430  13.211   2.078
   47    H    ASN   8           H        ASN   8  -7.477  12.659  -4.392
   48    HA   ASN   8           HA       ASN   8  -8.801  11.302  -2.296
   49   1HB   ASN   8          1HB       ASN   8 -10.758  12.223  -3.133
   50   2HB   ASN   8          2HB       ASN   8  -9.566  13.310  -3.841
   51   2HD2  ASN   8          2HD2      ASN   8 -10.183  13.874  -5.759
   52   1HD2  ASN   8          1HD2      ASN   8 -10.828  12.835  -6.980
   53    H    ASN   9           H        ASN   9  -7.972  10.449  -5.552
   54    HA   ASN   9           HA       ASN   9  -9.618   8.218  -5.916
   55   1HB   ASN   9          1HB       ASN   9  -7.917   9.583  -7.474
   56   2HB   ASN   9          2HB       ASN   9  -6.882   8.235  -7.072
   57   2HD2  ASN   9          2HD2      ASN   9  -8.593   9.306  -9.401
   58   1HD2  ASN   9          1HD2      ASN   9  -9.248   7.858 -10.044
   59    H    ALA  10           H        ALA  10  -6.423   8.634  -4.498
   60    HA   ALA  10           HA       ALA  10  -5.920   5.879  -4.018
   61   1HB   ALA  10          1HB       ALA  10  -4.739   8.359  -2.770
   62   2HB   ALA  10          2HB       ALA  10  -4.137   6.722  -2.510
   63   3HB   ALA  10          3HB       ALA  10  -4.084   7.435  -4.122
   64    H    ILE  11           H        ILE  11  -7.281   8.525  -2.081
   65    HA   ILE  11           HA       ILE  11  -7.458   7.245   0.382
   66    HB   ILE  11           HB       ILE  11  -9.536   9.123  -0.754
   67   1HG1  ILE  11          1HG1      ILE  11  -7.304  10.113  -0.935
   68   2HG1  ILE  11          2HG1      ILE  11  -8.251  10.933   0.295
   69   1HG2  ILE  11          1HG2      ILE  11  -8.904   8.090   1.966
   70   2HG2  ILE  11          2HG2      ILE  11  -9.571   9.714   1.792
   71   3HG2  ILE  11          3HG2      ILE  11 -10.467   8.320   1.182
   72   1HD1  ILE  11          1HD1      ILE  11  -6.792   8.839   1.536
   73   2HD1  ILE  11          2HD1      ILE  11  -5.690   9.771   0.522
   74   3HD1  ILE  11          3HD1      ILE  11  -6.644  10.582   1.764
   75    H    SER  12           H        SER  12  -9.604   7.141  -2.402
   76    HA   SER  12           HA       SER  12 -11.751   5.762  -1.325
   77   1HB   SER  12          1HB       SER  12 -10.614   5.565  -4.123
   78   2HB   SER  12          2HB       SER  12 -12.220   5.021  -3.639
   79    HG   SER  12           HG       SER  12 -12.642   7.015  -4.293
   80    H    TYR  13           H        TYR  13  -8.687   4.493  -2.594
   81    HA   TYR  13           HA       TYR  13  -9.451   1.761  -2.450
   82   1HB   TYR  13          1HB       TYR  13  -7.563   2.547  -3.834
   83   2HB   TYR  13          2HB       TYR  13  -6.676   2.965  -2.374
   84    HD1  TYR  13           HD1      TYR  13  -8.706  -0.073  -3.120
   85    HD2  TYR  13           HD2      TYR  13  -4.839   1.527  -2.347
   86    HE1  TYR  13           HE1      TYR  13  -7.791  -2.350  -3.020
   87    HE2  TYR  13           HE2      TYR  13  -3.914  -0.748  -2.245
   88    HH   TYR  13           HH       TYR  13  -4.360  -2.925  -2.314
   89    H    VAL  14           H        VAL  14  -7.349   3.721  -0.353
   90    HA   VAL  14           HA       VAL  14  -6.938   1.786   1.625
   91    HB   VAL  14           HB       VAL  14  -7.051   4.766   2.090
   92   1HG1  VAL  14          1HG1      VAL  14  -6.887   3.324   4.094
   93   2HG1  VAL  14          2HG1      VAL  14  -5.402   2.634   3.440
   94   3HG1  VAL  14          3HG1      VAL  14  -5.469   4.345   3.860
   95   1HG2  VAL  14          1HG2      VAL  14  -5.571   3.646   0.133
   96   2HG2  VAL  14          2HG2      VAL  14  -5.073   5.074   1.042
   97   3HG2  VAL  14          3HG2      VAL  14  -4.463   3.484   1.497
   98    H    ASN  15           H        ASN  15  -9.489   4.149   1.195
   99    HA   ASN  15           HA       ASN  15 -10.740   3.899   3.698
  100   1HB   ASN  15          1HB       ASN  15 -11.099   5.657   1.900
  101   2HB   ASN  15          2HB       ASN  15 -12.149   4.496   1.113
  102   2HD2  ASN  15          2HD2      ASN  15 -12.096   7.058   3.121
  103   1HD2  ASN  15          1HD2      ASN  15 -13.582   6.816   3.960
  104    H    LYS  16           H        LYS  16 -11.611   2.515   0.563
  105    HA   LYS  16           HA       LYS  16 -13.702   0.891   1.384
  106   1HB   LYS  16          1HB       LYS  16 -13.119   1.328  -0.979
  107   2HB   LYS  16          2HB       LYS  16 -11.691   0.319  -0.806
  108   1HG   LYS  16          1HG       LYS  16 -13.124  -1.616  -0.345
  109   2HG   LYS  16          2HG       LYS  16 -14.549  -0.597  -0.562
  110   1HD   LYS  16          1HD       LYS  16 -13.856  -0.132  -2.868
  111   2HD   LYS  16          2HD       LYS  16 -12.442  -1.164  -2.647
  112   1HE   LYS  16          1HE       LYS  16 -13.942  -3.071  -2.200
  113   2HE   LYS  16          2HE       LYS  16 -15.329  -2.025  -2.502
  114   1HZ   LYS  16          1HZ       LYS  16 -14.414  -1.645  -4.760
  115   2HZ   LYS  16          2HZ       LYS  16 -13.232  -2.815  -4.448
  116   3HZ   LYS  16          3HZ       LYS  16 -14.866  -3.249  -4.475
  117    H    ILE  17           H        ILE  17 -10.233   0.244   1.373
  118    HA   ILE  17           HA       ILE  17 -10.342  -2.474   2.089
  119    HB   ILE  17           HB       ILE  17  -8.222  -0.391   2.613
  120   1HG1  ILE  17          1HG1      ILE  17  -8.391  -2.608   0.562
  121   2HG1  ILE  17          2HG1      ILE  17  -8.697  -0.903   0.241
  122   1HG2  ILE  17          1HG2      ILE  17  -8.216  -2.387   4.189
  123   2HG2  ILE  17          2HG2      ILE  17  -7.807  -3.360   2.774
  124   3HG2  ILE  17          3HG2      ILE  17  -6.730  -2.064   3.296
  125   1HD1  ILE  17          1HD1      ILE  17  -6.238  -0.754   1.319
  126   2HD1  ILE  17          2HD1      ILE  17  -6.163  -2.345   0.564
  127   3HD1  ILE  17          3HD1      ILE  17  -6.554  -0.926  -0.406
  128    H    LYS  18           H        LYS  18 -10.097   0.468   4.042
  129    HA   LYS  18           HA       LYS  18  -9.927  -0.770   6.561
  130   1HB   LYS  18          1HB       LYS  18  -9.405   1.611   6.094
  131   2HB   LYS  18          2HB       LYS  18 -11.112   1.924   5.867
  132   1HG   LYS  18          1HG       LYS  18 -11.464   1.128   8.224
  133   2HG   LYS  18          2HG       LYS  18  -9.709   1.145   8.402
  134   1HD   LYS  18          1HD       LYS  18 -11.462   3.502   7.698
  135   2HD   LYS  18          2HD       LYS  18 -10.676   3.213   9.250
  136   1HE   LYS  18          1HE       LYS  18  -9.310   4.776   8.150
  137   2HE   LYS  18          2HE       LYS  18  -8.484   3.231   7.970
  138   1HZ   LYS  18          1HZ       LYS  18 -10.278   3.709   5.814
  139   2HZ   LYS  18          2HZ       LYS  18  -9.158   4.968   5.962
  140   3HZ   LYS  18          3HZ       LYS  18  -8.620   3.377   5.776
  141    H    THR  19           H        THR  19 -12.695   0.737   4.952
  142    HA   THR  19           HA       THR  19 -14.638   0.038   6.825
  143    HB   THR  19           HB       THR  19 -14.923   1.713   4.961
  144    HG1  THR  19           HG1      THR  19 -17.051   1.461   5.154
  145   1HG2  THR  19          1HG2      THR  19 -14.227  -0.333   3.306
  146   2HG2  THR  19          2HG2      THR  19 -15.982  -0.332   3.140
  147   3HG2  THR  19          3HG2      THR  19 -15.062   1.133   2.794
  148    H    ARG  20           H        ARG  20 -13.287  -1.786   4.165
  149    HA   ARG  20           HA       ARG  20 -15.264  -3.812   4.099
  150   1HB   ARG  20          1HB       ARG  20 -13.822  -3.504   2.200
  151   2HB   ARG  20          2HB       ARG  20 -12.387  -3.783   3.182
  152   1HG   ARG  20          1HG       ARG  20 -13.010  -5.694   1.734
  153   2HG   ARG  20          2HG       ARG  20 -12.944  -6.094   3.452
  154   1HD   ARG  20          1HD       ARG  20 -14.900  -7.094   2.396
  155   2HD   ARG  20          2HD       ARG  20 -15.366  -5.892   3.600
  156    HE   ARG  20           HE       ARG  20 -16.457  -4.800   1.936
  157   1HH1  ARG  20          1HH1      ARG  20 -13.858  -6.620   0.487
  158   2HH1  ARG  20          2HH1      ARG  20 -14.249  -6.133  -1.128
  159   1HH2  ARG  20          1HH2      ARG  20 -16.971  -4.151  -0.186
  160   2HH2  ARG  20          2HH2      ARG  20 -16.015  -4.728  -1.511
  161    H    PHE  21           H        PHE  21 -11.964  -3.867   5.450
  162    HA   PHE  21           HA       PHE  21 -12.645  -6.249   6.968
  163   1HB   PHE  21          1HB       PHE  21 -10.026  -4.773   6.680
  164   2HB   PHE  21          2HB       PHE  21 -10.245  -6.268   7.577
  165    HD1  PHE  21           HD1      PHE  21 -10.473  -4.781   4.191
  166    HD2  PHE  21           HD2      PHE  21 -10.168  -8.340   6.500
  167    HE1  PHE  21           HE1      PHE  21 -10.049  -6.073   2.141
  168    HE2  PHE  21           HE2      PHE  21  -9.728  -9.636   4.463
  169    HZ   PHE  21           HZ       PHE  21  -9.674  -8.504   2.274
  170    H    LEU  22           H        LEU  22 -13.998  -3.867   7.801
  171    HA   LEU  22           HA       LEU  22 -12.808  -2.557   9.957
  172   1HB   LEU  22          1HB       LEU  22 -15.673  -3.219   9.345
  173   2HB   LEU  22          2HB       LEU  22 -15.225  -2.335  10.790
  174    HG   LEU  22           HG       LEU  22 -14.698  -1.452   7.950
  175   1HD1  LEU  22          1HD1      LEU  22 -16.653  -0.462  10.020
  176   2HD1  LEU  22          2HD1      LEU  22 -16.334   0.310   8.467
  177   3HD1  LEU  22          3HD1      LEU  22 -17.047  -1.302   8.520
  178   1HD2  LEU  22          1HD2      LEU  22 -13.990  -0.262  10.614
  179   2HD2  LEU  22          2HD2      LEU  22 -12.945  -0.563   9.226
  180   3HD2  LEU  22          3HD2      LEU  22 -14.147   0.727   9.161
  181    H    ASP  23           H        ASP  23 -14.321  -5.698   9.754
  182    HA   ASP  23           HA       ASP  23 -14.440  -6.150  12.574
  183   1HB   ASP  23          1HB       ASP  23 -14.556  -8.127  10.293
  184   2HB   ASP  23          2HB       ASP  23 -14.980  -8.462  11.968
  185    H    HIS  24           H        HIS  24 -12.164  -6.896   9.999
  186    HA   HIS  24           HA       HIS  24 -10.350  -8.131  11.931
  187   1HB   HIS  24          1HB       HIS  24 -10.451  -8.229   8.916
  188   2HB   HIS  24          2HB       HIS  24  -9.193  -8.958   9.889
  189    HD1  HIS  24           HD1      HIS  24 -10.356 -10.663  11.848
  190    HD2  HIS  24           HD2      HIS  24 -12.331 -10.035   8.247
  191    HE1  HIS  24           HE1      HIS  24 -11.940 -12.601  11.603
  192    HE2  HIS  24           HE2      HIS  24 -13.174 -12.164   9.450
  193    HA   PRO  25           HA       PRO  25  -8.668  -3.803  11.302
  194   1HB   PRO  25          1HB       PRO  25  -7.384  -3.858  13.726
  195   2HB   PRO  25          2HB       PRO  25  -9.003  -3.212  13.463
  196   1HG   PRO  25          1HG       PRO  25  -8.180  -5.905  14.484
  197   2HG   PRO  25          2HG       PRO  25  -9.486  -4.843  15.048
  198   1HD   PRO  25          1HD       PRO  25 -10.021  -6.947  13.500
  199   2HD   PRO  25          2HD       PRO  25 -10.881  -5.411  13.270
  200    H    GLU  26           H        GLU  26  -7.104  -6.711  12.575
  201    HA   GLU  26           HA       GLU  26  -4.452  -6.055  12.286
  202   1HB   GLU  26          1HB       GLU  26  -4.030  -8.473  11.988
  203   2HB   GLU  26          2HB       GLU  26  -5.147  -8.138  13.302
  204   1HG   GLU  26          1HG       GLU  26  -7.027  -8.718  11.851
  205   2HG   GLU  26          2HG       GLU  26  -5.901  -9.063  10.539
  206    H    ILE  27           H        ILE  27  -6.750  -6.943   9.794
  207    HA   ILE  27           HA       ILE  27  -4.927  -7.426   7.694
  208    HB   ILE  27           HB       ILE  27  -7.649  -6.211   7.299
  209   1HG1  ILE  27          1HG1      ILE  27  -7.679  -8.113   8.982
  210   2HG1  ILE  27          2HG1      ILE  27  -8.699  -8.316   7.571
  211   1HG2  ILE  27          1HG2      ILE  27  -5.697  -7.703   5.664
  212   2HG2  ILE  27          2HG2      ILE  27  -7.396  -8.111   5.420
  213   3HG2  ILE  27          3HG2      ILE  27  -6.849  -6.449   5.201
  214   1HD1  ILE  27          1HD1      ILE  27  -5.957  -9.503   7.728
  215   2HD1  ILE  27          2HD1      ILE  27  -7.387 -10.320   8.363
  216   3HD1  ILE  27          3HD1      ILE  27  -7.287  -9.926   6.645
  217    H    TYR  28           H        TYR  28  -6.826  -4.523   8.491
  218    HA   TYR  28           HA       TYR  28  -5.764  -2.849   6.520
  219   1HB   TYR  28          1HB       TYR  28  -7.809  -2.347   7.768
  220   2HB   TYR  28          2HB       TYR  28  -6.862  -2.112   9.227
  221    HD1  TYR  28           HD1      TYR  28  -6.743  -0.908   5.704
  222    HD2  TYR  28           HD2      TYR  28  -6.605   0.093   9.828
  223    HE1  TYR  28           HE1      TYR  28  -6.464   1.466   5.108
  224    HE2  TYR  28           HE2      TYR  28  -6.329   2.469   9.255
  225    HH   TYR  28           HH       TYR  28  -7.046   3.779   6.455
  226    H    ARG  29           H        ARG  29  -4.866  -3.216   9.930
  227    HA   ARG  29           HA       ARG  29  -2.859  -1.334  10.104
  228   1HB   ARG  29          1HB       ARG  29  -3.086  -4.044  11.415
  229   2HB   ARG  29          2HB       ARG  29  -1.929  -2.816  11.893
  230   1HG   ARG  29          1HG       ARG  29  -4.919  -2.482  11.939
  231   2HG   ARG  29          2HG       ARG  29  -3.917  -2.873  13.336
  232   1HD   ARG  29          1HD       ARG  29  -2.698  -0.761  13.037
  233   2HD   ARG  29          2HD       ARG  29  -3.727  -0.372  11.660
  234    HE   ARG  29           HE       ARG  29  -4.334   0.076  14.367
  235   1HH1  ARG  29          1HH1      ARG  29  -5.831  -1.072  11.433
  236   2HH1  ARG  29          2HH1      ARG  29  -7.424  -0.588  11.907
  237   1HH2  ARG  29          1HH2      ARG  29  -6.428   0.714  14.994
  238   2HH2  ARG  29          2HH2      ARG  29  -7.763   0.428  13.928
  239    H    SER  30           H        SER  30  -2.513  -4.772   9.278
  240    HA   SER  30           HA       SER  30   0.220  -4.831   8.839
  241   1HB   SER  30          1HB       SER  30  -1.935  -6.398   7.402
  242   2HB   SER  30          2HB       SER  30  -0.218  -6.797   7.394
  243    HG   SER  30           HG       SER  30  -0.463  -6.837   9.776
  244    H    PHE  31           H        PHE  31  -2.362  -4.170   6.472
  245    HA   PHE  31           HA       PHE  31  -0.843  -3.833   4.190
  246   1HB   PHE  31          1HB       PHE  31  -3.243  -3.803   4.055
  247   2HB   PHE  31          2HB       PHE  31  -3.338  -2.383   5.091
  248    HD1  PHE  31           HD1      PHE  31  -1.864  -3.465   1.839
  249    HD2  PHE  31           HD2      PHE  31  -3.612  -0.320   4.117
  250    HE1  PHE  31           HE1      PHE  31  -1.844  -2.016  -0.150
  251    HE2  PHE  31           HE2      PHE  31  -3.600   1.129   2.129
  252    HZ   PHE  31           HZ       PHE  31  -2.712   0.284  -0.006
  253    H    LEU  32           H        LEU  32  -1.737  -1.364   6.583
  254    HA   LEU  32           HA       LEU  32  -0.427   0.792   5.400
  255   1HB   LEU  32          1HB       LEU  32  -0.753   0.335   8.361
  256   2HB   LEU  32          2HB       LEU  32  -0.569   1.875   7.547
  257    HG   LEU  32           HG       LEU  32  -2.952   0.032   7.420
  258   1HD1  LEU  32          1HD1      LEU  32  -2.243   2.392   8.978
  259   2HD1  LEU  32          2HD1      LEU  32  -3.800   2.518   8.161
  260   3HD1  LEU  32          3HD1      LEU  32  -3.487   1.174   9.259
  261   1HD2  LEU  32          1HD2      LEU  32  -2.076   2.204   5.647
  262   2HD2  LEU  32          2HD2      LEU  32  -3.175   0.859   5.342
  263   3HD2  LEU  32          3HD2      LEU  32  -3.751   2.295   6.189
  264    H    GLU  33           H        GLU  33   0.724  -1.587   7.755
  265    HA   GLU  33           HA       GLU  33   3.305  -0.502   8.112
  266   1HB   GLU  33          1HB       GLU  33   2.372  -3.375   8.356
  267   2HB   GLU  33          2HB       GLU  33   3.903  -2.753   8.957
  268   1HG   GLU  33          1HG       GLU  33   2.701  -1.265  10.477
  269   2HG   GLU  33          2HG       GLU  33   1.169  -1.897   9.878
  270    H    ILE  34           H        ILE  34   1.905  -2.539   5.629
  271    HA   ILE  34           HA       ILE  34   4.260  -3.555   4.487
  272    HB   ILE  34           HB       ILE  34   1.631  -2.872   3.183
  273   1HG1  ILE  34          1HG1      ILE  34   2.782  -5.490   4.170
  274   2HG1  ILE  34          2HG1      ILE  34   1.533  -4.554   4.982
  275   1HG2  ILE  34          1HG2      ILE  34   4.053  -4.304   2.129
  276   2HG2  ILE  34          2HG2      ILE  34   2.444  -4.561   1.458
  277   3HG2  ILE  34          3HG2      ILE  34   3.173  -2.957   1.410
  278   1HD1  ILE  34          1HD1      ILE  34   0.246  -4.817   2.763
  279   2HD1  ILE  34          2HD1      ILE  34   1.376  -6.141   2.473
  280   3HD1  ILE  34          3HD1      ILE  34   0.328  -6.172   3.891
  281    H    LEU  35           H        LEU  35   2.310  -0.733   3.515
  282    HA   LEU  35           HA       LEU  35   4.190   0.268   1.645
  283   1HB   LEU  35          1HB       LEU  35   2.056   1.754   3.195
  284   2HB   LEU  35          2HB       LEU  35   2.876   2.345   1.757
  285    HG   LEU  35           HG       LEU  35   1.163  -0.140   1.771
  286   1HD1  LEU  35          1HD1      LEU  35   0.445   2.736   1.396
  287   2HD1  LEU  35          2HD1      LEU  35  -0.417   1.485   0.498
  288   3HD1  LEU  35          3HD1      LEU  35  -0.421   1.465   2.262
  289   1HD2  LEU  35          1HD2      LEU  35   2.996   0.782  -0.070
  290   2HD2  LEU  35          2HD2      LEU  35   1.675  -0.343  -0.391
  291   3HD2  LEU  35          3HD2      LEU  35   1.456   1.382  -0.690
  292    H    HIS  36           H        HIS  36   3.545   0.883   5.034
  293    HA   HIS  36           HA       HIS  36   5.273   3.000   5.528
  294   1HB   HIS  36          1HB       HIS  36   3.995   0.868   7.144
  295   2HB   HIS  36          2HB       HIS  36   5.360   1.684   7.885
  296    HD1  HIS  36           HD1      HIS  36   4.986   4.544   7.321
  297    HD2  HIS  36           HD2      HIS  36   1.753   2.040   8.044
  298    HE1  HIS  36           HE1      HIS  36   3.120   6.057   8.069
  299    HE2  HIS  36           HE2      HIS  36   1.180   4.515   8.530
  300    H    THR  37           H        THR  37   5.886  -0.477   5.505
  301    HA   THR  37           HA       THR  37   8.512  -0.445   6.475
  302    HB   THR  37           HB       THR  37   7.205  -2.364   4.534
  303    HG1  THR  37           HG1      THR  37   7.695  -2.592   7.333
  304   1HG2  THR  37          1HG2      THR  37   9.906  -2.153   4.980
  305   2HG2  THR  37          2HG2      THR  37   9.418  -3.361   6.169
  306   3HG2  THR  37          3HG2      THR  37   9.068  -3.618   4.458
  307    H    TYR  38           H        TYR  38   7.182   0.059   3.265
  308    HA   TYR  38           HA       TYR  38   9.551  -0.052   1.780
  309   1HB   TYR  38          1HB       TYR  38   7.408  -0.053   0.674
  310   2HB   TYR  38          2HB       TYR  38   7.010   1.524   1.345
  311    HD1  TYR  38           HD1      TYR  38   9.637  -0.091  -0.756
  312    HD2  TYR  38           HD2      TYR  38   7.301   3.374   0.024
  313    HE1  TYR  38           HE1      TYR  38  10.630   1.004  -2.723
  314    HE2  TYR  38           HE2      TYR  38   8.283   4.487  -1.939
  315    HH   TYR  38           HH       TYR  38  10.848   3.922  -3.284
  316    H    GLN  39           H        GLN  39   7.793   2.827   2.912
  317    HA   GLN  39           HA       GLN  39   9.822   4.648   2.230
  318   1HB   GLN  39          1HB       GLN  39   7.547   4.870   4.180
  319   2HB   GLN  39          2HB       GLN  39   8.627   6.207   3.800
  320   1HG   GLN  39          1HG       GLN  39   8.006   5.808   1.368
  321   2HG   GLN  39          2HG       GLN  39   6.706   4.794   1.988
  322   2HE2  GLN  39          2HE2      GLN  39   7.325   7.193   4.187
  323   1HE2  GLN  39          1HE2      GLN  39   6.128   8.329   3.697
  324    H    LYS  40           H        LYS  40   9.232   2.866   5.214
  325    HA   LYS  40           HA       LYS  40  10.799   4.176   7.029
  326   1HB   LYS  40          1HB       LYS  40  10.265   1.263   6.603
  327   2HB   LYS  40          2HB       LYS  40  11.376   1.773   7.867
  328   1HG   LYS  40          1HG       LYS  40   9.594   3.148   8.855
  329   2HG   LYS  40          2HG       LYS  40   8.483   2.569   7.613
  330   1HD   LYS  40          1HD       LYS  40   8.705   0.302   8.407
  331   2HD   LYS  40          2HD       LYS  40   9.946   0.791   9.562
  332   1HE   LYS  40          1HE       LYS  40   7.761   0.487  10.635
  333   2HE   LYS  40          2HE       LYS  40   8.331   2.151  10.759
  334   1HZ   LYS  40          1HZ       LYS  40   6.428   1.223   8.684
  335   2HZ   LYS  40          2HZ       LYS  40   5.944   1.905  10.154
  336   3HZ   LYS  40          3HZ       LYS  40   6.846   2.820   9.053
  337    H    GLU  41           H        GLU  41  11.897   2.108   4.410
  338    HA   GLU  41           HA       GLU  41  14.560   1.816   5.246
  339   1HB   GLU  41          1HB       GLU  41  13.439   1.840   2.440
  340   2HB   GLU  41          2HB       GLU  41  15.040   1.264   2.886
  341   1HG   GLU  41          1HG       GLU  41  12.414   0.096   3.783
  342   2HG   GLU  41          2HG       GLU  41  13.511  -0.585   2.581
  343    H    GLN  42           H        GLN  42  13.044   4.302   3.203
  344    HA   GLN  42           HA       GLN  42  15.542   5.661   2.805
  345   1HB   GLN  42          1HB       GLN  42  12.704   6.175   1.977
  346   2HB   GLN  42          2HB       GLN  42  13.946   7.370   1.747
  347   1HG   GLN  42          1HG       GLN  42  13.793   6.244  -0.291
  348   2HG   GLN  42          2HG       GLN  42  15.249   5.626   0.483
  349   2HE2  GLN  42          2HE2      GLN  42  12.450   4.467   1.962
  350   1HE2  GLN  42          1HE2      GLN  42  12.387   2.935   1.190
  351    H    LEU  43           H        LEU  43  12.487   6.413   4.481
  352    HA   LEU  43           HA       LEU  43  13.438   8.863   5.547
  353   1HB   LEU  43          1HB       LEU  43  11.077   7.174   6.313
  354   2HB   LEU  43          2HB       LEU  43  11.382   8.785   6.929
  355    HG   LEU  43           HG       LEU  43  10.918   8.106   4.025
  356   1HD1  LEU  43          1HD1      LEU  43   8.955   7.851   5.617
  357   2HD1  LEU  43          2HD1      LEU  43   9.064   9.594   5.862
  358   3HD1  LEU  43          3HD1      LEU  43   8.733   8.948   4.254
  359   1HD2  LEU  43          1HD2      LEU  43  11.985  10.430   5.339
  360   2HD2  LEU  43          2HD2      LEU  43  11.802  10.101   3.616
  361   3HD2  LEU  43          3HD2      LEU  43  10.471  10.819   4.524
  362    H    HIS  44           H        HIS  44  14.755   6.099   6.262
  363    HA   HIS  44           HA       HIS  44  15.422   6.908   8.960
  364   1HB   HIS  44          1HB       HIS  44  14.069   4.266   8.396
  365   2HB   HIS  44          2HB       HIS  44  14.962   4.601   9.873
  366    HD1  HIS  44           HD1      HIS  44  13.942   6.513  11.430
  367    HD2  HIS  44           HD2      HIS  44  11.497   5.220   8.330
  368    HE1  HIS  44           HE1      HIS  44  11.637   7.343  12.001
  369    HE2  HIS  44           HE2      HIS  44  10.156   6.461  10.164
  370    H    THR  45           H        THR  45  16.941   6.837   6.608
  371    HA   THR  45           HA       THR  45  18.488   4.507   6.291
  372    HB   THR  45           HB       THR  45  20.198   6.033   5.276
  373    HG1  THR  45           HG1      THR  45  18.320   8.121   5.566
  374   1HG2  THR  45          1HG2      THR  45  17.323   6.223   4.392
  375   2HG2  THR  45          2HG2      THR  45  18.663   6.847   3.432
  376   3HG2  THR  45          3HG2      THR  45  18.571   5.126   3.803
  377    H    LYS  46           H        LYS  46  20.225   3.718   7.362
  378    HA   LYS  46           HA       LYS  46  21.964   5.278   8.950
  379   1HB   LYS  46          1HB       LYS  46  19.712   5.050  10.300
  380   2HB   LYS  46          2HB       LYS  46  20.345   3.453  10.677
  381   1HG   LYS  46          1HG       LYS  46  20.918   5.004  12.429
  382   2HG   LYS  46          2HG       LYS  46  22.380   4.493  11.580
  383   1HD   LYS  46          1HD       LYS  46  22.349   6.561  10.275
  384   2HD   LYS  46          2HD       LYS  46  20.879   7.069  11.108
  385   1HE   LYS  46          1HE       LYS  46  23.558   6.564  12.398
  386   2HE   LYS  46          2HE       LYS  46  22.866   8.147  12.047
  387   1HZ   LYS  46          1HZ       LYS  46  20.990   7.535  13.525
  388   2HZ   LYS  46          2HZ       LYS  46  21.823   6.127  13.953
  389   3HZ   LYS  46          3HZ       LYS  46  22.476   7.641  14.328
  390    H    GLY  47           H        GLY  47  20.519   2.017   8.770
  391   1HA   GLY  47          1HA       GLY  47  22.873   0.648   9.528
  392   2HA   GLY  47          2HA       GLY  47  22.812   0.771   7.779
  393    H    ARG  48           H        ARG  48  19.908   0.596   7.641
  394    HA   ARG  48           HA       ARG  48  19.128  -1.886   8.843
  395   1HB   ARG  48          1HB       ARG  48  17.847  -0.073   6.812
  396   2HB   ARG  48          2HB       ARG  48  17.144  -1.629   7.231
  397   1HG   ARG  48          1HG       ARG  48  17.004  -0.926   9.574
  398   2HG   ARG  48          2HG       ARG  48  17.679   0.642   9.131
  399   1HD   ARG  48          1HD       ARG  48  15.779   1.150   7.768
  400   2HD   ARG  48          2HD       ARG  48  15.147  -0.486   7.951
  401    HE   ARG  48           HE       ARG  48  14.111   0.254   9.830
  402   1HH1  ARG  48          1HH1      ARG  48  16.999   2.161   9.398
  403   2HH1  ARG  48          2HH1      ARG  48  16.718   3.129  10.807
  404   1HH2  ARG  48          1HH2      ARG  48  13.741   1.521  11.680
  405   2HH2  ARG  48          2HH2      ARG  48  14.868   2.766  12.102
  406    HA   PRO  49           HA       PRO  49  20.804  -4.774   5.959
  407   1HB   PRO  49          1HB       PRO  49  18.726  -6.613   5.986
  408   2HB   PRO  49          2HB       PRO  49  20.045  -6.553   7.159
  409   1HG   PRO  49          1HG       PRO  49  17.264  -5.485   7.373
  410   2HG   PRO  49          2HG       PRO  49  18.264  -6.273   8.608
  411   1HD   PRO  49          1HD       PRO  49  17.909  -3.617   8.580
  412   2HD   PRO  49          2HD       PRO  49  19.464  -4.337   9.049
  413    H    PHE  50           H        PHE  50  20.864  -4.731   3.856
  414    HA   PHE  50           HA       PHE  50  18.701  -3.603   2.329
  415   1HB   PHE  50          1HB       PHE  50  21.469  -4.557   1.658
  416   2HB   PHE  50          2HB       PHE  50  20.341  -4.036   0.410
  417    HD1  PHE  50           HD1      PHE  50  21.341  -2.733   3.772
  418    HD2  PHE  50           HD2      PHE  50  20.841  -1.950  -0.381
  419    HE1  PHE  50           HE1      PHE  50  22.041  -0.401   4.131
  420    HE2  PHE  50           HE2      PHE  50  21.543   0.381  -0.031
  421    HZ   PHE  50           HZ       PHE  50  22.142   1.160   2.228
  422    H    ARG  51           H        ARG  51  17.628  -5.790   3.333
  423    HA   ARG  51           HA       ARG  51  17.971  -8.105   1.673
  424   1HB   ARG  51          1HB       ARG  51  15.873  -7.391   3.719
  425   2HB   ARG  51          2HB       ARG  51  15.949  -8.932   2.880
  426   1HG   ARG  51          1HG       ARG  51  18.101  -9.394   3.850
  427   2HG   ARG  51          2HG       ARG  51  18.109  -7.816   4.641
  428   1HD   ARG  51          1HD       ARG  51  16.111 -10.023   5.128
  429   2HD   ARG  51          2HD       ARG  51  17.466  -9.618   6.182
  430    HE   ARG  51           HE       ARG  51  15.933  -7.313   5.813
  431   1HH1  ARG  51          1HH1      ARG  51  15.651 -10.456   7.291
  432   2HH1  ARG  51          2HH1      ARG  51  14.543  -9.923   8.513
  433   1HH2  ARG  51          1HH2      ARG  51  14.479  -6.604   7.416
  434   2HH2  ARG  51          2HH2      ARG  51  13.875  -7.735   8.581
  435    H    GLY  52           H        GLY  52  17.308  -5.640   0.296
  436   1HA   GLY  52          1HA       GLY  52  15.440  -6.628  -1.568
  437   2HA   GLY  52          2HA       GLY  52  16.062  -4.988  -1.507
  438    H    MET  53           H        MET  53  14.320  -3.762  -1.779
  439    HA   MET  53           HA       MET  53  11.771  -4.366  -0.688
  440   1HB   MET  53          1HB       MET  53  13.075  -3.677   1.336
  441   2HB   MET  53          2HB       MET  53  13.249  -2.086   0.609
  442   1HG   MET  53          1HG       MET  53  11.431  -2.079   2.198
  443   2HG   MET  53          2HG       MET  53  10.827  -1.830   0.561
  444   1HE   MET  53          1HE       MET  53   8.893  -2.266   2.584
  445   2HE   MET  53          2HE       MET  53   8.152  -2.697   1.043
  446   3HE   MET  53          3HE       MET  53   7.989  -3.773   2.431
  447    H    SER  54           H        SER  54  10.332  -3.433  -1.966
  448    HA   SER  54           HA       SER  54  10.356  -0.759  -2.796
  449   1HB   SER  54          1HB       SER  54  12.264  -1.558  -4.203
  450   2HB   SER  54          2HB       SER  54  11.165  -2.691  -4.987
  451    HG   SER  54           HG       SER  54  10.127  -0.206  -5.007
  452    H    GLU  55           H        GLU  55   9.249  -1.771  -5.540
  453    HA   GLU  55           HA       GLU  55   6.538  -1.913  -4.686
  454   1HB   GLU  55          1HB       GLU  55   6.320  -1.043  -6.726
  455   2HB   GLU  55          2HB       GLU  55   7.982  -1.456  -7.123
  456   1HG   GLU  55          1HG       GLU  55   7.274  -3.678  -7.800
  457   2HG   GLU  55          2HG       GLU  55   5.608  -3.275  -7.393
  458    H    GLU  56           H        GLU  56   8.931  -4.244  -5.748
  459    HA   GLU  56           HA       GLU  56   7.243  -6.398  -6.294
  460   1HB   GLU  56          1HB       GLU  56   9.230  -7.818  -5.888
  461   2HB   GLU  56          2HB       GLU  56   9.554  -6.457  -6.951
  462   1HG   GLU  56          1HG       GLU  56  10.587  -5.249  -5.104
  463   2HG   GLU  56          2HG       GLU  56  10.244  -6.599  -4.024
  464    H    GLU  57           H        GLU  57   8.922  -5.626  -3.224
  465    HA   GLU  57           HA       GLU  57   7.789  -7.810  -1.821
  466   1HB   GLU  57          1HB       GLU  57   9.841  -6.655  -1.077
  467   2HB   GLU  57          2HB       GLU  57   8.882  -5.232  -0.688
  468   1HG   GLU  57          1HG       GLU  57   9.237  -6.368   1.348
  469   2HG   GLU  57          2HG       GLU  57   7.561  -6.683   0.887
  470    H    VAL  58           H        VAL  58   6.993  -4.335  -1.777
  471    HA   VAL  58           HA       VAL  58   4.889  -4.422   0.015
  472    HB   VAL  58           HB       VAL  58   5.152  -2.636  -2.408
  473   1HG1  VAL  58          1HG1      VAL  58   3.102  -2.851  -0.355
  474   2HG1  VAL  58          2HG1      VAL  58   3.809  -1.237  -0.451
  475   3HG1  VAL  58          3HG1      VAL  58   3.086  -1.971  -1.883
  476   1HG2  VAL  58          1HG2      VAL  58   6.853  -2.810  -0.290
  477   2HG2  VAL  58          2HG2      VAL  58   6.593  -1.354  -1.252
  478   3HG2  VAL  58          3HG2      VAL  58   5.723  -1.576   0.267
  479    H    PHE  59           H        PHE  59   4.842  -4.997  -3.479
  480    HA   PHE  59           HA       PHE  59   2.050  -5.278  -3.736
  481   1HB   PHE  59          1HB       PHE  59   3.531  -4.942  -5.669
  482   2HB   PHE  59          2HB       PHE  59   4.254  -6.524  -5.394
  483    HD1  PHE  59           HD1      PHE  59   0.699  -5.389  -5.423
  484    HD2  PHE  59           HD2      PHE  59   3.679  -7.890  -7.149
  485    HE1  PHE  59           HE1      PHE  59  -1.006  -6.415  -6.871
  486    HE2  PHE  59           HE2      PHE  59   1.979  -8.920  -8.599
  487    HZ   PHE  59           HZ       PHE  59  -0.365  -8.182  -8.462
  488    H    THR  60           H        THR  60   4.621  -7.553  -2.972
  489    HA   THR  60           HA       THR  60   3.029  -9.892  -3.078
  490    HB   THR  60           HB       THR  60   5.595  -9.415  -1.551
  491    HG1  THR  60           HG1      THR  60   5.644 -10.903  -3.870
  492   1HG2  THR  60          1HG2      THR  60   3.821 -11.689  -1.703
  493   2HG2  THR  60          2HG2      THR  60   5.410 -12.084  -2.358
  494   3HG2  THR  60          3HG2      THR  60   5.265 -11.458  -0.715
  495    H    GLU  61           H        GLU  61   4.103  -7.885  -0.337
  496    HA   GLU  61           HA       GLU  61   2.944  -9.363   1.709
  497   1HB   GLU  61          1HB       GLU  61   3.379  -6.377   1.562
  498   2HB   GLU  61          2HB       GLU  61   3.043  -7.280   3.032
  499   1HG   GLU  61          1HG       GLU  61   5.118  -8.556   2.697
  500   2HG   GLU  61          2HG       GLU  61   5.461  -7.585   1.267
  501    H    VAL  62           H        VAL  62   1.584  -6.685  -0.195
  502    HA   VAL  62           HA       VAL  62  -0.900  -6.615   1.155
  503    HB   VAL  62           HB       VAL  62  -0.296  -5.802  -1.696
  504   1HG1  VAL  62          1HG1      VAL  62  -2.731  -5.767  -0.088
  505   2HG1  VAL  62          2HG1      VAL  62  -2.321  -4.197  -0.777
  506   3HG1  VAL  62          3HG1      VAL  62  -2.520  -5.598  -1.831
  507   1HG2  VAL  62          1HG2      VAL  62   0.889  -4.743   0.450
  508   2HG2  VAL  62          2HG2      VAL  62   0.430  -3.782  -0.955
  509   3HG2  VAL  62          3HG2      VAL  62  -0.605  -3.809   0.472
  510    H    ALA  63           H        ALA  63   0.273  -8.370  -1.677
  511    HA   ALA  63           HA       ALA  63  -2.158  -9.533  -2.473
  512   1HB   ALA  63          1HB       ALA  63  -0.600 -11.337  -3.435
  513   2HB   ALA  63          2HB       ALA  63   0.713 -10.322  -2.838
  514   3HB   ALA  63          3HB       ALA  63  -0.422  -9.686  -4.028
  515    H    ASN  64           H        ASN  64   0.293 -10.500  -0.150
  516    HA   ASN  64           HA       ASN  64  -0.741 -13.045   0.481
  517   1HB   ASN  64          1HB       ASN  64   1.043 -11.128   1.987
  518   2HB   ASN  64          2HB       ASN  64   0.610 -12.717   2.617
  519   2HD2  ASN  64          2HD2      ASN  64   3.019 -11.146   1.177
  520   1HD2  ASN  64          1HD2      ASN  64   3.716 -12.419   0.241
  521    H    LEU  65           H        LEU  65  -1.300  -9.831   1.830
  522    HA   LEU  65           HA       LEU  65  -2.899 -10.590   4.017
  523   1HB   LEU  65          1HB       LEU  65  -2.234  -8.147   2.550
  524   2HB   LEU  65          2HB       LEU  65  -3.832  -8.126   3.257
  525    HG   LEU  65           HG       LEU  65  -1.286  -8.633   4.788
  526   1HD1  LEU  65          1HD1      LEU  65  -2.363  -6.237   3.765
  527   2HD1  LEU  65          2HD1      LEU  65  -2.662  -6.241   5.504
  528   3HD1  LEU  65          3HD1      LEU  65  -1.019  -6.434   4.892
  529   1HD2  LEU  65          1HD2      LEU  65  -4.099  -8.943   5.415
  530   2HD2  LEU  65          2HD2      LEU  65  -2.678  -9.443   6.334
  531   3HD2  LEU  65          3HD2      LEU  65  -3.303  -7.801   6.500
  532    H    PHE  66           H        PHE  66  -3.920  -9.054   0.998
  533    HA   PHE  66           HA       PHE  66  -6.666  -9.742   1.355
  534   1HB   PHE  66          1HB       PHE  66  -5.199  -8.677  -1.063
  535   2HB   PHE  66          2HB       PHE  66  -6.947  -8.774  -0.908
  536    HD1  PHE  66           HD1      PHE  66  -5.772  -7.934   2.262
  537    HD2  PHE  66           HD2      PHE  66  -6.299  -6.283  -1.632
  538    HE1  PHE  66           HE1      PHE  66  -5.793  -5.672   3.225
  539    HE2  PHE  66           HE2      PHE  66  -6.326  -4.020  -0.669
  540    HZ   PHE  66           HZ       PHE  66  -6.071  -3.712   1.760
  541    H    ARG  67           H        ARG  67  -5.113 -12.118   1.396
  542    HA   ARG  67           HA       ARG  67  -4.991 -13.456  -1.055
  543   1HB   ARG  67          1HB       ARG  67  -3.886 -14.296   0.962
  544   2HB   ARG  67          2HB       ARG  67  -5.450 -14.599   1.707
  545   1HG   ARG  67          1HG       ARG  67  -5.949 -16.298   0.072
  546   2HG   ARG  67          2HG       ARG  67  -4.459 -15.940  -0.798
  547   1HD   ARG  67          1HD       ARG  67  -4.176 -17.933   0.548
  548   2HD   ARG  67          2HD       ARG  67  -3.159 -16.635   1.168
  549    HE   ARG  67           HE       ARG  67  -5.408 -17.882   2.491
  550   1HH1  ARG  67          1HH1      ARG  67  -3.193 -15.187   2.433
  551   2HH1  ARG  67          2HH1      ARG  67  -3.503 -14.736   4.077
  552   1HH2  ARG  67          1HH2      ARG  67  -5.812 -17.294   4.653
  553   2HH2  ARG  67          2HH2      ARG  67  -4.988 -15.932   5.337
  554    H    GLY  68           H        GLY  68  -6.462 -14.401  -2.321
  555   1HA   GLY  68          1HA       GLY  68  -9.053 -15.197  -1.310
  556   2HA   GLY  68          2HA       GLY  68  -8.475 -15.367  -2.962
  557    H    GLN  69           H        GLN  69  -8.695 -12.458  -0.941
  558    HA   GLN  69           HA       GLN  69 -10.925 -11.442  -2.494
  559   1HB   GLN  69          1HB       GLN  69  -9.360 -10.185  -0.231
  560   2HB   GLN  69          2HB       GLN  69 -10.818  -9.516  -0.951
  561   1HG   GLN  69          1HG       GLN  69 -12.082 -11.465  -0.212
  562   2HG   GLN  69          2HG       GLN  69 -10.621 -12.145   0.502
  563   2HE2  GLN  69          2HE2      GLN  69 -10.485 -11.882   2.599
  564   1HE2  GLN  69          1HE2      GLN  69 -11.133 -10.566   3.510
  565    H    GLU  70           H        GLU  70  -8.995 -11.810  -4.252
  566    HA   GLU  70           HA       GLU  70  -7.114  -9.742  -4.575
  567   1HB   GLU  70          1HB       GLU  70  -8.375 -11.526  -6.664
  568   2HB   GLU  70          2HB       GLU  70  -6.939 -10.540  -6.904
  569   1HG   GLU  70          1HG       GLU  70  -5.769 -11.825  -5.188
  570   2HG   GLU  70          2HG       GLU  70  -7.208 -12.814  -4.950
  571    H    ASP  71           H        ASP  71 -10.375  -9.384  -4.579
  572    HA   ASP  71           HA       ASP  71 -10.899  -7.852  -6.876
  573   1HB   ASP  71          1HB       ASP  71 -12.830  -6.967  -5.628
  574   2HB   ASP  71          2HB       ASP  71 -12.698  -8.714  -5.457
  575    H    LEU  72           H        LEU  72  -9.899  -6.910  -3.617
  576    HA   LEU  72           HA       LEU  72  -9.671  -4.126  -4.209
  577   1HB   LEU  72          1HB       LEU  72  -8.489  -5.776  -1.968
  578   2HB   LEU  72          2HB       LEU  72  -8.514  -4.023  -2.024
  579    HG   LEU  72           HG       LEU  72 -11.016  -5.705  -2.029
  580   1HD1  LEU  72          1HD1      LEU  72  -9.511  -4.476   0.272
  581   2HD1  LEU  72          2HD1      LEU  72 -11.197  -4.983   0.365
  582   3HD1  LEU  72          3HD1      LEU  72  -9.935  -6.172   0.039
  583   1HD2  LEU  72          1HD2      LEU  72 -11.131  -3.390  -2.939
  584   2HD2  LEU  72          2HD2      LEU  72 -12.132  -3.649  -1.510
  585   3HD2  LEU  72          3HD2      LEU  72 -10.596  -2.794  -1.366
  586    H    LEU  73           H        LEU  73  -7.560  -6.898  -4.277
  587    HA   LEU  73           HA       LEU  73  -5.058  -5.765  -4.382
  588   1HB   LEU  73          1HB       LEU  73  -6.224  -8.254  -4.714
  589   2HB   LEU  73          2HB       LEU  73  -5.448  -7.956  -6.240
  590    HG   LEU  73           HG       LEU  73  -3.884  -9.157  -4.935
  591   1HD1  LEU  73          1HD1      LEU  73  -3.003  -7.134  -6.130
  592   2HD1  LEU  73          2HD1      LEU  73  -3.062  -6.286  -4.583
  593   3HD1  LEU  73          3HD1      LEU  73  -2.021  -7.699  -4.778
  594   1HD2  LEU  73          1HD2      LEU  73  -4.517  -7.197  -2.744
  595   2HD2  LEU  73          2HD2      LEU  73  -4.917  -8.913  -2.790
  596   3HD2  LEU  73          3HD2      LEU  73  -3.232  -8.400  -2.671
  597    H    SER  74           H        SER  74  -7.396  -6.326  -6.965
  598    HA   SER  74           HA       SER  74  -5.883  -5.601  -9.168
  599   1HB   SER  74          1HB       SER  74  -8.129  -6.596  -9.309
  600   2HB   SER  74          2HB       SER  74  -8.829  -5.100  -8.691
  601    HG   SER  74           HG       SER  74  -8.989  -4.916 -10.855
  602    H    GLU  75           H        GLU  75  -7.693  -3.578  -6.903
  603    HA   GLU  75           HA       GLU  75  -7.368  -1.138  -8.274
  604   1HB   GLU  75          1HB       GLU  75  -7.684  -1.630  -5.307
  605   2HB   GLU  75          2HB       GLU  75  -7.900  -0.083  -6.113
  606   1HG   GLU  75          1HG       GLU  75  -9.772  -0.997  -7.379
  607   2HG   GLU  75          2HG       GLU  75  -9.552  -2.554  -6.582
  608    H    PHE  76           H        PHE  76  -5.467  -2.678  -5.702
  609    HA   PHE  76           HA       PHE  76  -3.568  -0.660  -5.333
  610   1HB   PHE  76          1HB       PHE  76  -3.808  -2.603  -3.840
  611   2HB   PHE  76          2HB       PHE  76  -3.194  -3.655  -5.106
  612    HD1  PHE  76           HD1      PHE  76  -1.921  -0.307  -4.123
  613    HD2  PHE  76           HD2      PHE  76  -1.248  -4.511  -4.152
  614    HE1  PHE  76           HE1      PHE  76   0.367   0.057  -3.300
  615    HE2  PHE  76           HE2      PHE  76   1.042  -4.154  -3.327
  616    HZ   PHE  76           HZ       PHE  76   1.852  -1.865  -2.901
  617    H    GLY  77           H        GLY  77  -3.598  -3.404  -7.563
  618   1HA   GLY  77          1HA       GLY  77  -2.392  -3.862  -9.452
  619   2HA   GLY  77          2HA       GLY  77  -1.054  -3.025  -8.683
  620    H    GLN  78           H        GLN  78  -4.103  -1.442  -9.359
  621    HA   GLN  78           HA       GLN  78  -3.758  -0.469 -11.892
  622   1HB   GLN  78          1HB       GLN  78  -4.868   1.046  -9.526
  623   2HB   GLN  78          2HB       GLN  78  -5.128   1.465 -11.213
  624   1HG   GLN  78          1HG       GLN  78  -6.013  -1.094  -9.900
  625   2HG   GLN  78          2HG       GLN  78  -7.041   0.299 -10.219
  626   2HE2  GLN  78          2HE2      GLN  78  -8.261   0.073 -11.930
  627   1HE2  GLN  78          1HE2      GLN  78  -7.871  -0.817 -13.357
  628    H    PHE  79           H        PHE  79  -2.569   1.075  -8.907
  629    HA   PHE  79           HA       PHE  79  -1.230   3.178 -10.265
  630   1HB   PHE  79          1HB       PHE  79  -0.972   2.096  -7.458
  631   2HB   PHE  79          2HB       PHE  79  -0.060   3.485  -8.036
  632    HD1  PHE  79           HD1      PHE  79  -3.633   2.445  -8.425
  633    HD2  PHE  79           HD2      PHE  79  -0.877   5.402  -7.093
  634    HE1  PHE  79           HE1      PHE  79  -5.508   3.925  -7.841
  635    HE2  PHE  79           HE2      PHE  79  -2.748   6.886  -6.506
  636    HZ   PHE  79           HZ       PHE  79  -5.068   6.148  -6.879
  637    H    LEU  80           H        LEU  80  -0.165   0.080  -8.930
  638    HA   LEU  80           HA       LEU  80   2.587   0.413  -9.431
  639   1HB   LEU  80          1HB       LEU  80   1.057  -2.187  -9.389
  640   2HB   LEU  80          2HB       LEU  80   2.771  -1.969  -9.088
  641    HG   LEU  80           HG       LEU  80   0.532  -0.969  -7.324
  642   1HD1  LEU  80          1HD1      LEU  80   1.496  -3.530  -7.558
  643   2HD1  LEU  80          2HD1      LEU  80   2.444  -2.869  -6.226
  644   3HD1  LEU  80          3HD1      LEU  80   0.682  -2.856  -6.146
  645   1HD2  LEU  80          1HD2      LEU  80   2.837   0.291  -7.510
  646   2HD2  LEU  80          2HD2      LEU  80   2.075   0.004  -5.944
  647   3HD2  LEU  80          3HD2      LEU  80   3.389  -1.039  -6.492
  648    HA   PRO  81           HA       PRO  81   2.603   0.021 -13.872
  649   1HB   PRO  81          1HB       PRO  81   5.445  -0.581 -13.646
  650   2HB   PRO  81          2HB       PRO  81   4.658   0.806 -14.392
  651   1HG   PRO  81          1HG       PRO  81   6.067   1.009 -12.095
  652   2HG   PRO  81          2HG       PRO  81   4.656   2.026 -12.443
  653   1HD   PRO  81          1HD       PRO  81   4.866  -0.397 -10.698
  654   2HD   PRO  81          2HD       PRO  81   3.966   1.112 -10.431
  655    H    GLU  82           H        GLU  82   1.944  -1.728 -14.941
  656    HA   GLU  82           HA       GLU  82   3.445  -4.045 -15.322
  657   1HB   GLU  82          1HB       GLU  82   2.932  -4.445 -12.924
  658   2HB   GLU  82          2HB       GLU  82   1.218  -4.436 -13.313
  659   1HG   GLU  82          1HG       GLU  82   1.532  -6.385 -14.750
  660   2HG   GLU  82          2HG       GLU  82   3.252  -6.394 -14.360
  661    H    ALA  83           H        ALA  83   2.405  -2.836 -17.268
  662    HA   ALA  83           HA       ALA  83   0.359  -4.557 -18.302
  663   1HB   ALA  83          1HB       ALA  83  -1.453  -3.365 -17.848
  664   2HB   ALA  83          2HB       ALA  83  -0.780  -2.009 -18.753
  665   3HB   ALA  83          3HB       ALA  83  -0.472  -2.155 -17.022
  666    H    LYS  84           H        LYS  84   2.056  -1.463 -18.717
  667    HA   LYS  84           HA       LYS  84   1.817  -1.282 -21.497
  668   1HB   LYS  84          1HB       LYS  84   3.790   0.217 -21.379
  669   2HB   LYS  84          2HB       LYS  84   2.546   0.617 -20.203
  670   1HG   LYS  84          1HG       LYS  84   3.827  -0.458 -18.445
  671   2HG   LYS  84          2HG       LYS  84   5.056  -0.941 -19.614
  672   1HD   LYS  84          1HD       LYS  84   5.757   1.042 -18.371
  673   2HD   LYS  84          2HD       LYS  84   5.539   1.413 -20.082
  674   1HE   LYS  84          1HE       LYS  84   4.606   3.176 -18.679
  675   2HE   LYS  84          2HE       LYS  84   3.340   2.364 -19.600
  676   1HZ   LYS  84          1HZ       LYS  84   3.972   1.527 -16.843
  677   2HZ   LYS  84          2HZ       LYS  84   2.940   2.836 -17.132
  678   3HZ   LYS  84          3HZ       LYS  84   2.543   1.300 -17.720
  679    H    ARG  85           H        ARG  85   4.245  -2.884 -19.491
  680    HA   ARG  85           HA       ARG  85   4.995  -4.562 -21.741
  681   1HB   ARG  85          1HB       ARG  85   6.995  -2.820 -20.290
  682   2HB   ARG  85          2HB       ARG  85   7.433  -4.154 -21.346
  683   1HG   ARG  85          1HG       ARG  85   6.405  -3.029 -23.234
  684   2HG   ARG  85          2HG       ARG  85   5.888  -1.708 -22.184
  685   1HD   ARG  85          1HD       ARG  85   7.911  -1.126 -23.431
  686   2HD   ARG  85          2HD       ARG  85   8.208  -1.166 -21.693
  687    HE   ARG  85           HE       ARG  85   8.844  -3.674 -22.761
  688   1HH1  ARG  85          1HH1      ARG  85   9.976  -0.380 -22.861
  689   2HH1  ARG  85          2HH1      ARG  85  11.626  -0.819 -23.147
  690   1HH2  ARG  85          1HH2      ARG  85  11.016  -4.262 -23.135
  691   2HH2  ARG  85          2HH2      ARG  85  12.218  -3.027 -23.300
  692    H1   ASN   1           H1       ASN   1   4.677   6.968  -5.641
  693    H2   ASN   1           H2       ASN   1   4.857   6.082  -7.071
  694    H3   ASN   1           H3       ASN   1   4.425   7.715  -7.137
  695    HA   ASN   1           HA       ASN   1   2.278   7.331  -6.744
  696   1HB   ASN   1          1HB       ASN   1   3.205   4.535  -7.444
  697   2HB   ASN   1          2HB       ASN   1   1.557   5.135  -7.610
  698   2HD2  ASN   1          2HD2      ASN   1   1.050   5.633  -9.604
  699   1HD2  ASN   1          1HD2      ASN   1   2.116   6.272 -10.804
  700    H    ILE   2           H        ILE   2   4.158   4.784  -5.161
  701    HA   ILE   2           HA       ILE   2   2.170   3.902  -3.385
  702    HB   ILE   2           HB       ILE   2   5.178   3.868  -3.098
  703   1HG1  ILE   2          1HG1      ILE   2   4.317   2.576  -4.997
  704   2HG1  ILE   2          2HG1      ILE   2   4.961   1.510  -3.752
  705   1HG2  ILE   2          1HG2      ILE   2   3.022   2.781  -1.338
  706   2HG2  ILE   2          2HG2      ILE   2   4.562   1.932  -1.470
  707   3HG2  ILE   2          3HG2      ILE   2   4.522   3.601  -0.902
  708   1HD1  ILE   2          1HD1      ILE   2   2.562   1.271  -2.947
  709   2HD1  ILE   2          2HD1      ILE   2   2.100   2.023  -4.474
  710   3HD1  ILE   2          3HD1      ILE   2   2.984   0.498  -4.475
  711    H    GLN   3           H        GLN   3   4.581   6.484  -3.095
  712    HA   GLN   3           HA       GLN   3   4.266   7.072  -0.407
  713   1HB   GLN   3          1HB       GLN   3   5.012   9.380  -1.012
  714   2HB   GLN   3          2HB       GLN   3   6.041   8.099  -1.631
  715   1HG   GLN   3          1HG       GLN   3   5.910   9.470  -3.446
  716   2HG   GLN   3          2HG       GLN   3   4.587   8.356  -3.777
  717   2HE2  GLN   3          2HE2      GLN   3   3.657  10.264  -1.241
  718   1HE2  GLN   3          1HE2      GLN   3   2.800  11.484  -2.110
  719    H    MET   4           H        MET   4   2.249   7.935  -3.146
  720    HA   MET   4           HA       MET   4   0.609   9.796  -1.748
  721   1HB   MET   4          1HB       MET   4   0.032   8.166  -4.231
  722   2HB   MET   4          2HB       MET   4  -0.971   9.483  -3.638
  723   1HG   MET   4          1HG       MET   4   1.888   9.724  -4.541
  724   2HG   MET   4          2HG       MET   4   0.467  10.180  -5.477
  725   1HE   MET   4          1HE       MET   4  -1.340  11.506  -4.476
  726   2HE   MET   4          2HE       MET   4  -1.260  12.141  -2.833
  727   3HE   MET   4          3HE       MET   4  -0.911  13.193  -4.203
  728    H    LEU   5           H        LEU   5   0.285   6.343  -2.520
  729    HA   LEU   5           HA       LEU   5  -2.256   5.984  -1.354
  730   1HB   LEU   5          1HB       LEU   5  -1.044   4.419  -2.940
  731   2HB   LEU   5          2HB       LEU   5  -0.104   3.881  -1.559
  732    HG   LEU   5           HG       LEU   5  -2.144   3.091  -0.455
  733   1HD1  LEU   5          1HD1      LEU   5  -3.417   4.365  -2.831
  734   2HD1  LEU   5          2HD1      LEU   5  -4.186   2.970  -2.074
  735   3HD1  LEU   5          3HD1      LEU   5  -3.889   4.432  -1.133
  736   1HD2  LEU   5          1HD2      LEU   5  -1.066   2.061  -2.922
  737   2HD2  LEU   5          2HD2      LEU   5  -1.603   1.195  -1.484
  738   3HD2  LEU   5          3HD2      LEU   5  -2.765   1.623  -2.741
  739    H    LEU   6           H        LEU   6   0.998   5.384  -0.074
  740    HA   LEU   6           HA       LEU   6   0.235   4.467   2.455
  741   1HB   LEU   6          1HB       LEU   6   2.487   4.183   1.599
  742   2HB   LEU   6          2HB       LEU   6   2.728   5.918   1.560
  743    HG   LEU   6           HG       LEU   6   2.740   6.032   3.970
  744   1HD1  LEU   6          1HD1      LEU   6   1.520   3.396   3.738
  745   2HD1  LEU   6          2HD1      LEU   6   2.823   3.460   4.925
  746   3HD1  LEU   6          3HD1      LEU   6   1.453   4.564   5.057
  747   1HD2  LEU   6          1HD2      LEU   6   4.579   4.422   2.430
  748   2HD2  LEU   6          2HD2      LEU   6   4.903   5.591   3.710
  749   3HD2  LEU   6          3HD2      LEU   6   4.541   3.915   4.120
  750    H    GLU   7           H        GLU   7   0.835   7.704   1.208
  751    HA   GLU   7           HA       GLU   7   0.612   9.096   3.653
  752   1HB   GLU   7          1HB       GLU   7   1.587  10.095   1.630
  753   2HB   GLU   7          2HB       GLU   7   0.022  10.028   0.833
  754   1HG   GLU   7          1HG       GLU   7  -0.886  11.586   2.483
  755   2HG   GLU   7          2HG       GLU   7   0.686  11.657   3.277
  756    H    ALA   8           H        ALA   8  -1.719   8.032   1.253
  757    HA   ALA   8           HA       ALA   8  -3.996   9.406   2.053
  758   1HB   ALA   8          1HB       ALA   8  -3.690   6.635   0.911
  759   2HB   ALA   8          2HB       ALA   8  -4.018   8.130   0.036
  760   3HB   ALA   8          3HB       ALA   8  -5.242   7.448   1.109
  761    H    ALA   9           H        ALA   9  -2.613   6.400   3.311
  762    HA   ALA   9           HA       ALA   9  -4.663   5.656   5.044
  763   1HB   ALA   9          1HB       ALA   9  -1.920   4.931   4.595
  764   2HB   ALA   9          2HB       ALA   9  -3.236   3.967   5.267
  765   3HB   ALA   9          3HB       ALA   9  -2.261   4.987   6.325
  766    H    ASP  10           H        ASP  10  -1.864   7.766   5.609
  767    HA   ASP  10           HA       ASP  10  -2.326   8.307   8.317
  768   1HB   ASP  10          1HB       ASP  10  -0.228   8.890   7.167
  769   2HB   ASP  10          2HB       ASP  10  -1.082  10.100   6.216
  770    H    TYR  11           H        TYR  11  -3.590   9.778   5.389
  771    HA   TYR  11           HA       TYR  11  -4.886  11.978   6.574
  772   1HB   TYR  11          1HB       TYR  11  -4.488  11.865   4.175
  773   2HB   TYR  11          2HB       TYR  11  -5.528  10.452   4.041
  774    HD1  TYR  11           HD1      TYR  11  -5.698  13.975   5.295
  775    HD2  TYR  11           HD2      TYR  11  -7.671  10.783   3.292
  776    HE1  TYR  11           HE1      TYR  11  -7.627  15.441   4.873
  777    HE2  TYR  11           HE2      TYR  11  -9.602  12.240   2.858
  778    HH   TYR  11           HH       TYR  11 -10.559  14.213   3.315
  779    H    LEU  12           H        LEU  12  -6.006   8.702   5.807
  780    HA   LEU  12           HA       LEU  12  -8.658   9.152   6.785
  781   1HB   LEU  12          1HB       LEU  12  -7.147   6.657   6.055
  782   2HB   LEU  12          2HB       LEU  12  -8.813   6.640   6.599
  783    HG   LEU  12           HG       LEU  12  -7.810   8.059   4.127
  784   1HD1  LEU  12          1HD1      LEU  12  -8.585   5.313   4.624
  785   2HD1  LEU  12          2HD1      LEU  12  -9.621   6.077   3.417
  786   3HD1  LEU  12          3HD1      LEU  12  -7.872   6.041   3.184
  787   1HD2  LEU  12          1HD2      LEU  12 -10.428   7.940   5.525
  788   2HD2  LEU  12          2HD2      LEU  12  -9.686   9.257   4.617
  789   3HD2  LEU  12          3HD2      LEU  12 -10.431   7.907   3.762
  790    H    GLU  13           H        GLU  13  -6.337   9.607   8.632
  791    HA   GLU  13           HA       GLU  13  -6.213   7.622  10.599
  792   1HB   GLU  13          1HB       GLU  13  -5.431   9.464  12.102
  793   2HB   GLU  13          2HB       GLU  13  -4.560   9.348  10.580
  794   1HG   GLU  13          1HG       GLU  13  -4.937  11.648  11.046
  795   2HG   GLU  13          2HG       GLU  13  -5.974  11.190   9.697

  No H/Q in entry =         795
  Start of MODEL   11
    1    H1   GLU   1           H1       GLU   1  -0.026  19.919  -2.400
    2    H2   GLU   1           H2       GLU   1   0.644  18.753  -3.425
    3    H3   GLU   1           H3       GLU   1  -0.554  19.799  -4.003
    4    HA   GLU   1           HA       GLU   1  -1.633  17.768  -3.635
    5   1HB   GLU   1          1HB       GLU   1  -0.322  17.802  -0.906
    6   2HB   GLU   1          2HB       GLU   1  -1.395  16.550  -1.515
    7   1HG   GLU   1          1HG       GLU   1   1.303  17.260  -2.643
    8   2HG   GLU   1          2HG       GLU   1   0.939  15.869  -1.624
    9    H    SER   2           H        SER   2  -2.442  20.410  -3.510
   10    HA   SER   2           HA       SER   2  -3.742  21.165  -1.137
   11   1HB   SER   2          1HB       SER   2  -4.432  21.892  -3.994
   12   2HB   SER   2          2HB       SER   2  -5.018  22.728  -2.557
   13    HG   SER   2           HG       SER   2  -3.244  23.834  -3.322
   14    H    ASP   3           H        ASP   3  -4.998  19.507  -4.027
   15    HA   ASP   3           HA       ASP   3  -6.765  17.865  -2.577
   16   1HB   ASP   3          1HB       ASP   3  -7.947  20.051  -2.270
   17   2HB   ASP   3          2HB       ASP   3  -8.135  20.148  -4.017
   18    H    SER   4           H        SER   4  -4.901  17.459  -4.592
   19    HA   SER   4           HA       SER   4  -5.922  17.332  -7.183
   20   1HB   SER   4          1HB       SER   4  -3.966  15.350  -6.157
   21   2HB   SER   4          2HB       SER   4  -4.012  16.155  -7.706
   22    HG   SER   4           HG       SER   4  -2.451  16.846  -5.886
   23    H    VAL   5           H        VAL   5  -6.901  15.738  -8.325
   24    HA   VAL   5           HA       VAL   5  -8.712  14.041  -6.996
   25    HB   VAL   5           HB       VAL   5  -7.691  13.880  -9.843
   26   1HG1  VAL   5          1HG1      VAL   5  -8.900  11.845  -8.670
   27   2HG1  VAL   5          2HG1      VAL   5 -10.341  12.803  -9.022
   28   3HG1  VAL   5          3HG1      VAL   5  -9.273  12.302 -10.334
   29   1HG2  VAL   5          1HG2      VAL   5 -10.091  15.241  -8.633
   30   2HG2  VAL   5          2HG2      VAL   5  -8.732  15.998  -9.464
   31   3HG2  VAL   5          3HG2      VAL   5  -9.867  14.992 -10.365
   32    H    GLU   6           H        GLU   6  -5.515  13.477  -8.393
   33    HA   GLU   6           HA       GLU   6  -5.405  10.708  -8.219
   34   1HB   GLU   6          1HB       GLU   6  -3.143  12.634  -7.650
   35   2HB   GLU   6          2HB       GLU   6  -2.985  10.947  -8.120
   36   1HG   GLU   6          1HG       GLU   6  -3.988  11.442 -10.282
   37   2HG   GLU   6          2HG       GLU   6  -4.173  13.131  -9.813
   38    H    PHE   7           H        PHE   7  -5.040  13.171  -5.763
   39    HA   PHE   7           HA       PHE   7  -4.077  11.484  -3.695
   40   1HB   PHE   7          1HB       PHE   7  -3.824  13.938  -3.648
   41   2HB   PHE   7          2HB       PHE   7  -5.567  14.113  -3.494
   42    HD1  PHE   7           HD1      PHE   7  -3.314  11.701  -1.773
   43    HD2  PHE   7           HD2      PHE   7  -5.850  15.100  -1.414
   44    HE1  PHE   7           HE1      PHE   7  -3.108  11.590   0.674
   45    HE2  PHE   7           HE2      PHE   7  -5.650  14.993   1.035
   46    HZ   PHE   7           HZ       PHE   7  -4.277  13.236   2.082
   47    H    ASN   8           H        ASN   8  -7.348  12.862  -4.255
   48    HA   ASN   8           HA       ASN   8  -8.594  11.384  -2.210
   49   1HB   ASN   8          1HB       ASN   8 -10.555  12.352  -2.948
   50   2HB   ASN   8          2HB       ASN   8  -9.394  13.448  -3.691
   51   2HD2  ASN   8          2HD2      ASN   8 -11.966  11.403  -4.189
   52   1HD2  ASN   8          1HD2      ASN   8 -11.952  11.364  -5.913
   53    H    ASN   9           H        ASN   9  -7.680  10.732  -5.429
   54    HA   ASN   9           HA       ASN   9  -9.236   8.519  -6.110
   55   1HB   ASN   9          1HB       ASN   9  -7.670   9.881  -7.572
   56   2HB   ASN   9          2HB       ASN   9  -6.344   8.987  -6.860
   57   2HD2  ASN   9          2HD2      ASN   9  -7.615   9.245  -9.563
   58   1HD2  ASN   9          1HD2      ASN   9  -7.752   7.618 -10.091
   59    H    ALA  10           H        ALA  10  -6.111   8.777  -4.472
   60    HA   ALA  10           HA       ALA  10  -5.779   5.975  -4.059
   61   1HB   ALA  10          1HB       ALA  10  -4.291   7.394  -2.127
   62   2HB   ALA  10          2HB       ALA  10  -3.714   6.686  -3.635
   63   3HB   ALA  10          3HB       ALA  10  -4.267   8.362  -3.603
   64    H    ILE  11           H        ILE  11  -7.112   8.643  -2.206
   65    HA   ILE  11           HA       ILE  11  -7.361   7.518   0.302
   66    HB   ILE  11           HB       ILE  11  -9.370   9.302  -1.077
   67   1HG1  ILE  11          1HG1      ILE  11  -7.118  10.279  -1.009
   68   2HG1  ILE  11          2HG1      ILE  11  -8.223  11.149   0.043
   69   1HG2  ILE  11          1HG2      ILE  11  -9.768   7.934   1.219
   70   2HG2  ILE  11          2HG2      ILE  11  -9.051   9.425   1.837
   71   3HG2  ILE  11          3HG2      ILE  11 -10.509   9.493   0.846
   72   1HD1  ILE  11          1HD1      ILE  11  -6.961   9.128   1.574
   73   2HD1  ILE  11          2HD1      ILE  11  -5.720   9.995   0.666
   74   3HD1  ILE  11          3HD1      ILE  11  -6.821  10.880   1.722
   75    H    SER  12           H        SER  12  -9.480   7.179  -2.510
   76    HA   SER  12           HA       SER  12 -11.555   5.786  -1.272
   77   1HB   SER  12          1HB       SER  12 -11.769   6.705  -3.530
   78   2HB   SER  12          2HB       SER  12 -10.569   5.562  -4.130
   79    HG   SER  12           HG       SER  12 -12.590   4.325  -2.799
   80    H    TYR  13           H        TYR  13  -8.485   4.609  -2.600
   81    HA   TYR  13           HA       TYR  13  -9.092   1.858  -2.457
   82   1HB   TYR  13          1HB       TYR  13  -7.138   2.726  -3.685
   83   2HB   TYR  13          2HB       TYR  13  -6.406   3.229  -2.167
   84    HD1  TYR  13           HD1      TYR  13  -8.089   0.072  -3.254
   85    HD2  TYR  13           HD2      TYR  13  -4.579   1.900  -1.697
   86    HE1  TYR  13           HE1      TYR  13  -7.057  -2.143  -3.006
   87    HE2  TYR  13           HE2      TYR  13  -3.535  -0.311  -1.442
   88    HH   TYR  13           HH       TYR  13  -4.486  -2.767  -1.129
   89    H    VAL  14           H        VAL  14  -7.312   3.971  -0.244
   90    HA   VAL  14           HA       VAL  14  -6.954   2.117   1.831
   91    HB   VAL  14           HB       VAL  14  -7.233   5.120   2.073
   92   1HG1  VAL  14          1HG1      VAL  14  -5.953   3.075   3.883
   93   2HG1  VAL  14          2HG1      VAL  14  -5.798   4.821   4.071
   94   3HG1  VAL  14          3HG1      VAL  14  -7.378   4.054   4.228
   95   1HG2  VAL  14          1HG2      VAL  14  -5.084   3.390   1.036
   96   2HG2  VAL  14          2HG2      VAL  14  -5.450   5.082   0.693
   97   3HG2  VAL  14          3HG2      VAL  14  -4.577   4.649   2.163
   98    H    ASN  15           H        ASN  15  -9.556   4.363   1.131
   99    HA   ASN  15           HA       ASN  15 -11.007   4.092   3.518
  100   1HB   ASN  15          1HB       ASN  15 -11.377   5.924   1.941
  101   2HB   ASN  15          2HB       ASN  15 -11.959   4.793   0.737
  102   2HD2  ASN  15          2HD2      ASN  15 -12.878   6.943   3.038
  103   1HD2  ASN  15          1HD2      ASN  15 -14.485   6.384   3.335
  104    H    LYS  16           H        LYS  16 -11.321   2.428   0.399
  105    HA   LYS  16           HA       LYS  16 -13.529   0.834   1.104
  106   1HB   LYS  16          1HB       LYS  16 -12.827   1.202  -1.222
  107   2HB   LYS  16          2HB       LYS  16 -11.349   0.299  -0.927
  108   1HG   LYS  16          1HG       LYS  16 -12.650  -1.724  -0.535
  109   2HG   LYS  16          2HG       LYS  16 -14.140  -0.818  -0.785
  110   1HD   LYS  16          1HD       LYS  16 -11.987  -1.020  -2.858
  111   2HD   LYS  16          2HD       LYS  16 -13.336  -2.153  -2.749
  112   1HE   LYS  16          1HE       LYS  16 -13.519   0.828  -3.140
  113   2HE   LYS  16          2HE       LYS  16 -13.834  -0.419  -4.336
  114   1HZ   LYS  16          1HZ       LYS  16 -15.548  -1.222  -2.583
  115   2HZ   LYS  16          2HZ       LYS  16 -15.463   0.378  -2.041
  116   3HZ   LYS  16          3HZ       LYS  16 -15.938   0.049  -3.630
  117    H    ILE  17           H        ILE  17 -10.061   0.365   1.502
  118    HA   ILE  17           HA       ILE  17 -10.156  -2.361   2.227
  119    HB   ILE  17           HB       ILE  17  -8.141  -0.245   2.996
  120   1HG1  ILE  17          1HG1      ILE  17  -8.079  -2.356   0.827
  121   2HG1  ILE  17          2HG1      ILE  17  -8.398  -0.646   0.561
  122   1HG2  ILE  17          1HG2      ILE  17  -8.434  -2.662   4.212
  123   2HG2  ILE  17          2HG2      ILE  17  -7.304  -3.056   2.918
  124   3HG2  ILE  17          3HG2      ILE  17  -6.910  -1.785   4.075
  125   1HD1  ILE  17          1HD1      ILE  17  -6.001  -0.682   1.944
  126   2HD1  ILE  17          2HD1      ILE  17  -5.889  -2.042   0.825
  127   3HD1  ILE  17          3HD1      ILE  17  -6.224  -0.422   0.214
  128    H    LYS  18           H        LYS  18 -10.326   0.626   4.126
  129    HA   LYS  18           HA       LYS  18 -10.328  -0.541   6.672
  130   1HB   LYS  18          1HB       LYS  18 -11.558   2.032   5.671
  131   2HB   LYS  18          2HB       LYS  18 -11.405   1.602   7.364
  132   1HG   LYS  18          1HG       LYS  18  -8.962   1.516   7.102
  133   2HG   LYS  18          2HG       LYS  18  -9.153   2.025   5.423
  134   1HD   LYS  18          1HD       LYS  18  -8.587   3.932   6.802
  135   2HD   LYS  18          2HD       LYS  18 -10.238   4.098   6.201
  136   1HE   LYS  18          1HE       LYS  18 -10.045   4.725   8.568
  137   2HE   LYS  18          2HE       LYS  18 -11.120   3.346   8.331
  138   1HZ   LYS  18          1HZ       LYS  18  -8.510   2.403   8.749
  139   2HZ   LYS  18          2HZ       LYS  18  -8.873   3.512   9.975
  140   3HZ   LYS  18          3HZ       LYS  18  -9.878   2.176   9.718
  141    H    THR  19           H        THR  19 -12.958   0.398   4.520
  142    HA   THR  19           HA       THR  19 -15.038  -0.438   6.277
  143    HB   THR  19           HB       THR  19 -15.382   1.256   4.487
  144    HG1  THR  19           HG1      THR  19 -17.002  -1.059   4.653
  145   1HG2  THR  19          1HG2      THR  19 -14.851  -1.113   2.751
  146   2HG2  THR  19          2HG2      THR  19 -15.978   0.129   2.204
  147   3HG2  THR  19          3HG2      THR  19 -14.307   0.556   2.576
  148    H    ARG  20           H        ARG  20 -13.161  -2.033   3.821
  149    HA   ARG  20           HA       ARG  20 -14.882  -4.235   3.397
  150   1HB   ARG  20          1HB       ARG  20 -13.207  -3.824   1.767
  151   2HB   ARG  20          2HB       ARG  20 -11.926  -3.834   2.976
  152   1HG   ARG  20          1HG       ARG  20 -11.925  -5.858   1.603
  153   2HG   ARG  20          2HG       ARG  20 -12.209  -6.213   3.307
  154   1HD   ARG  20          1HD       ARG  20 -13.708  -7.540   1.987
  155   2HD   ARG  20          2HD       ARG  20 -14.635  -6.303   2.833
  156    HE   ARG  20           HE       ARG  20 -13.982  -5.308   0.310
  157   1HH1  ARG  20          1HH1      ARG  20 -15.905  -7.851   1.716
  158   2HH1  ARG  20          2HH1      ARG  20 -17.060  -7.867   0.426
  159   1HH2  ARG  20          1HH2      ARG  20 -15.500  -5.325  -1.395
  160   2HH2  ARG  20          2HH2      ARG  20 -16.830  -6.433  -1.342
  161    H    PHE  21           H        PHE  21 -11.905  -3.980   5.340
  162    HA   PHE  21           HA       PHE  21 -12.624  -6.447   6.709
  163   1HB   PHE  21          1HB       PHE  21 -10.101  -4.797   6.883
  164   2HB   PHE  21          2HB       PHE  21 -10.358  -6.366   7.633
  165    HD1  PHE  21           HD1      PHE  21  -9.945  -4.607   4.427
  166    HD2  PHE  21           HD2      PHE  21 -10.170  -8.378   6.388
  167    HE1  PHE  21           HE1      PHE  21  -9.123  -5.714   2.389
  168    HE2  PHE  21           HE2      PHE  21  -9.343  -9.490   4.358
  169    HZ   PHE  21           HZ       PHE  21  -8.818  -8.157   2.352
  170    H    LEU  22           H        LEU  22 -14.314  -4.308   7.372
  171    HA   LEU  22           HA       LEU  22 -13.590  -2.819   9.610
  172   1HB   LEU  22          1HB       LEU  22 -16.248  -3.973   8.790
  173   2HB   LEU  22          2HB       LEU  22 -16.064  -2.930  10.186
  174    HG   LEU  22           HG       LEU  22 -15.377  -2.138   7.354
  175   1HD1  LEU  22          1HD1      LEU  22 -17.828  -2.545   7.873
  176   2HD1  LEU  22          2HD1      LEU  22 -17.711  -1.181   8.984
  177   3HD1  LEU  22          3HD1      LEU  22 -17.403  -0.945   7.264
  178   1HD2  LEU  22          1HD2      LEU  22 -14.819  -0.973   9.938
  179   2HD2  LEU  22          2HD2      LEU  22 -14.249  -0.493   8.340
  180   3HD2  LEU  22          3HD2      LEU  22 -15.793   0.108   8.941
  181    H    ASP  23           H        ASP  23 -14.662  -6.146   9.335
  182    HA   ASP  23           HA       ASP  23 -14.894  -6.589  12.150
  183   1HB   ASP  23          1HB       ASP  23 -16.202  -7.925  10.599
  184   2HB   ASP  23          2HB       ASP  23 -14.733  -8.533   9.844
  185    H    HIS  24           H        HIS  24 -12.422  -7.162   9.698
  186    HA   HIS  24           HA       HIS  24 -10.604  -8.185  11.745
  187   1HB   HIS  24          1HB       HIS  24 -10.475  -8.303   8.729
  188   2HB   HIS  24          2HB       HIS  24  -9.289  -8.985   9.822
  189    HD1  HIS  24           HD1      HIS  24 -10.610 -10.718  11.678
  190    HD2  HIS  24           HD2      HIS  24 -12.161 -10.204   7.858
  191    HE1  HIS  24           HE1      HIS  24 -12.075 -12.722  11.271
  192    HE2  HIS  24           HE2      HIS  24 -13.077 -12.340   8.991
  193    HA   PRO  25           HA       PRO  25  -9.223  -3.758  11.055
  194   1HB   PRO  25          1HB       PRO  25  -8.216  -3.527  13.581
  195   2HB   PRO  25          2HB       PRO  25  -9.871  -3.111  13.138
  196   1HG   PRO  25          1HG       PRO  25  -8.822  -5.630  14.379
  197   2HG   PRO  25          2HG       PRO  25 -10.275  -4.700  14.796
  198   1HD   PRO  25          1HD       PRO  25 -10.452  -6.921  13.324
  199   2HD   PRO  25          2HD       PRO  25 -11.466  -5.508  12.966
  200    H    GLU  26           H        GLU  26  -7.630  -6.526  12.548
  201    HA   GLU  26           HA       GLU  26  -5.001  -5.671  12.545
  202   1HB   GLU  26          1HB       GLU  26  -4.384  -8.053  12.443
  203   2HB   GLU  26          2HB       GLU  26  -5.684  -7.754  13.588
  204   1HG   GLU  26          1HG       GLU  26  -7.311  -8.554  11.959
  205   2HG   GLU  26          2HG       GLU  26  -6.013  -8.844  10.802
  206    H    ILE  27           H        ILE  27  -6.970  -6.724   9.857
  207    HA   ILE  27           HA       ILE  27  -4.918  -7.267   7.999
  208    HB   ILE  27           HB       ILE  27  -7.596  -6.104   7.266
  209   1HG1  ILE  27          1HG1      ILE  27  -7.766  -7.996   8.956
  210   2HG1  ILE  27          2HG1      ILE  27  -8.617  -8.237   7.439
  211   1HG2  ILE  27          1HG2      ILE  27  -5.633  -7.922   5.887
  212   2HG2  ILE  27          2HG2      ILE  27  -7.284  -7.670   5.315
  213   3HG2  ILE  27          3HG2      ILE  27  -6.162  -6.312   5.394
  214   1HD1  ILE  27          1HD1      ILE  27  -5.869  -9.300   7.621
  215   2HD1  ILE  27          2HD1      ILE  27  -7.125 -10.107   8.563
  216   3HD1  ILE  27          3HD1      ILE  27  -7.297  -9.953   6.812
  217    H    TYR  28           H        TYR  28  -6.875  -4.334   8.500
  218    HA   TYR  28           HA       TYR  28  -5.687  -2.725   6.568
  219   1HB   TYR  28          1HB       TYR  28  -7.762  -2.153   7.758
  220   2HB   TYR  28          2HB       TYR  28  -6.836  -1.878   9.222
  221    HD1  TYR  28           HD1      TYR  28  -6.875  -0.763   5.660
  222    HD2  TYR  28           HD2      TYR  28  -6.313   0.304   9.736
  223    HE1  TYR  28           HE1      TYR  28  -6.520   1.580   4.992
  224    HE2  TYR  28           HE2      TYR  28  -5.975   2.652   9.086
  225    HH   TYR  28           HH       TYR  28  -6.071   4.129   7.411
  226    H    ARG  29           H        ARG  29  -4.871  -3.138   9.977
  227    HA   ARG  29           HA       ARG  29  -2.838  -1.263  10.200
  228   1HB   ARG  29          1HB       ARG  29  -3.146  -3.944  11.554
  229   2HB   ARG  29          2HB       ARG  29  -2.000  -2.713  12.051
  230   1HG   ARG  29          1HG       ARG  29  -4.976  -2.298  11.948
  231   2HG   ARG  29          2HG       ARG  29  -4.094  -2.793  13.391
  232   1HD   ARG  29          1HD       ARG  29  -3.502  -0.270  11.854
  233   2HD   ARG  29          2HD       ARG  29  -4.606  -0.337  13.226
  234    HE   ARG  29           HE       ARG  29  -2.799  -0.531  14.647
  235   1HH1  ARG  29          1HH1      ARG  29  -1.724  -0.738  11.337
  236   2HH1  ARG  29          2HH1      ARG  29  -0.043  -0.692  11.747
  237   1HH2  ARG  29          1HH2      ARG  29  -0.589  -0.455  15.189
  238   2HH2  ARG  29          2HH2      ARG  29   0.601  -0.530  13.932
  239    H    SER  30           H        SER  30  -2.473  -4.747   9.542
  240    HA   SER  30           HA       SER  30   0.271  -4.788   9.160
  241   1HB   SER  30          1HB       SER  30  -1.806  -6.498   7.772
  242   2HB   SER  30          2HB       SER  30  -0.087  -6.871   7.895
  243    HG   SER  30           HG       SER  30  -0.430  -6.772  10.235
  244    H    PHE  31           H        PHE  31  -2.266  -4.372   6.697
  245    HA   PHE  31           HA       PHE  31  -0.751  -4.191   4.417
  246   1HB   PHE  31          1HB       PHE  31  -3.130  -4.155   4.250
  247   2HB   PHE  31          2HB       PHE  31  -3.247  -2.706   5.244
  248    HD1  PHE  31           HD1      PHE  31  -1.732  -3.855   2.034
  249    HD2  PHE  31           HD2      PHE  31  -3.582  -0.696   4.206
  250    HE1  PHE  31           HE1      PHE  31  -1.745  -2.470   0.000
  251    HE2  PHE  31           HE2      PHE  31  -3.601   0.694   2.175
  252    HZ   PHE  31           HZ       PHE  31  -2.681  -0.193   0.070
  253    H    LEU  32           H        LEU  32  -1.540  -1.590   6.694
  254    HA   LEU  32           HA       LEU  32  -0.232   0.492   5.356
  255   1HB   LEU  32          1HB       LEU  32  -0.670   0.132   8.319
  256   2HB   LEU  32          2HB       LEU  32  -0.248   1.639   7.533
  257    HG   LEU  32           HG       LEU  32  -2.803   0.094   7.087
  258   1HD1  LEU  32          1HD1      LEU  32  -2.010   2.124   9.027
  259   2HD1  LEU  32          2HD1      LEU  32  -3.465   2.534   8.117
  260   3HD1  LEU  32          3HD1      LEU  32  -3.390   1.026   9.028
  261   1HD2  LEU  32          1HD2      LEU  32  -1.657   2.577   5.888
  262   2HD2  LEU  32          2HD2      LEU  32  -2.462   1.222   5.099
  263   3HD2  LEU  32          3HD2      LEU  32  -3.404   2.384   6.034
  264    H    GLU  33           H        GLU  33   0.922  -1.845   7.733
  265    HA   GLU  33           HA       GLU  33   3.492  -0.744   8.108
  266   1HB   GLU  33          1HB       GLU  33   2.512  -2.416   9.625
  267   2HB   GLU  33          2HB       GLU  33   2.586  -3.622   8.348
  268   1HG   GLU  33          1HG       GLU  33   4.404  -3.974   9.859
  269   2HG   GLU  33          2HG       GLU  33   5.044  -3.393   8.324
  270    H    ILE  34           H        ILE  34   2.181  -2.994   5.725
  271    HA   ILE  34           HA       ILE  34   4.589  -3.859   4.588
  272    HB   ILE  34           HB       ILE  34   1.912  -3.475   3.264
  273   1HG1  ILE  34          1HG1      ILE  34   3.218  -5.913   4.488
  274   2HG1  ILE  34          2HG1      ILE  34   1.916  -4.981   5.220
  275   1HG2  ILE  34          1HG2      ILE  34   4.432  -4.846   2.358
  276   2HG2  ILE  34          2HG2      ILE  34   2.847  -5.256   1.701
  277   3HG2  ILE  34          3HG2      ILE  34   3.482  -3.622   1.514
  278   1HD1  ILE  34          1HD1      ILE  34   1.638  -6.269   2.540
  279   2HD1  ILE  34          2HD1      ILE  34   1.295  -7.127   4.042
  280   3HD1  ILE  34          3HD1      ILE  34   0.373  -5.684   3.621
  281    H    LEU  35           H        LEU  35   2.399  -1.259   3.480
  282    HA   LEU  35           HA       LEU  35   4.077  -0.264   1.459
  283   1HB   LEU  35          1HB       LEU  35   2.015   1.157   3.153
  284   2HB   LEU  35          2HB       LEU  35   2.786   1.862   1.743
  285    HG   LEU  35           HG       LEU  35   1.133  -0.657   1.624
  286   1HD1  LEU  35          1HD1      LEU  35   0.066   1.678   2.351
  287   2HD1  LEU  35          2HD1      LEU  35   0.088   1.918   0.605
  288   3HD1  LEU  35          3HD1      LEU  35  -0.767   0.538   1.294
  289   1HD2  LEU  35          1HD2      LEU  35   2.913   0.240  -0.174
  290   2HD2  LEU  35          2HD2      LEU  35   1.430  -0.604  -0.620
  291   3HD2  LEU  35          3HD2      LEU  35   1.492   1.158  -0.679
  292    H    HIS  36           H        HIS  36   3.717   0.579   4.855
  293    HA   HIS  36           HA       HIS  36   5.450   2.732   5.022
  294   1HB   HIS  36          1HB       HIS  36   4.036   1.044   6.815
  295   2HB   HIS  36          2HB       HIS  36   5.696   1.119   7.387
  296    HD1  HIS  36           HD1      HIS  36   6.516   3.925   7.103
  297    HD2  HIS  36           HD2      HIS  36   2.624   2.901   8.130
  298    HE1  HIS  36           HE1      HIS  36   5.561   5.961   8.224
  299    HE2  HIS  36           HE2      HIS  36   3.179   5.347   8.769
  300    H    THR  37           H        THR  37   6.123  -0.733   5.241
  301    HA   THR  37           HA       THR  37   8.809  -0.652   5.954
  302    HB   THR  37           HB       THR  37   7.407  -2.637   4.149
  303    HG1  THR  37           HG1      THR  37   7.998  -3.491   6.646
  304   1HG2  THR  37          1HG2      THR  37  10.113  -2.413   4.464
  305   2HG2  THR  37          2HG2      THR  37   9.692  -3.544   5.749
  306   3HG2  THR  37          3HG2      THR  37   9.261  -3.909   4.077
  307    H    TYR  38           H        TYR  38   7.268  -0.344   2.803
  308    HA   TYR  38           HA       TYR  38   9.602  -0.400   1.219
  309   1HB   TYR  38          1HB       TYR  38   7.464  -0.719   0.184
  310   2HB   TYR  38          2HB       TYR  38   6.872   0.819   0.793
  311    HD1  TYR  38           HD1      TYR  38   9.720  -0.445  -1.278
  312    HD2  TYR  38           HD2      TYR  38   6.743   2.539  -0.703
  313    HE1  TYR  38           HE1      TYR  38  10.457   0.671  -3.342
  314    HE2  TYR  38           HE2      TYR  38   7.465   3.666  -2.769
  315    HH   TYR  38           HH       TYR  38   9.371   2.246  -5.071
  316    H    GLN  39           H        GLN  39   7.592   2.321   2.249
  317    HA   GLN  39           HA       GLN  39   9.113   4.392   1.280
  318   1HB   GLN  39          1HB       GLN  39   7.390   4.280   3.749
  319   2HB   GLN  39          2HB       GLN  39   8.035   5.768   3.075
  320   1HG   GLN  39          1HG       GLN  39   6.225   3.856   1.632
  321   2HG   GLN  39          2HG       GLN  39   5.725   5.351   2.412
  322   2HE2  GLN  39          2HE2      GLN  39   8.608   6.197   1.319
  323   1HE2  GLN  39          1HE2      GLN  39   8.214   6.748  -0.269
  324    H    LYS  40           H        LYS  40   9.574   2.556   4.240
  325    HA   LYS  40           HA       LYS  40  11.329   4.189   5.620
  326   1HB   LYS  40          1HB       LYS  40  11.310   1.176   5.402
  327   2HB   LYS  40          2HB       LYS  40  12.261   2.071   6.576
  328   1HG   LYS  40          1HG       LYS  40   9.288   2.392   6.421
  329   2HG   LYS  40          2HG       LYS  40  10.024   1.064   7.316
  330   1HD   LYS  40          1HD       LYS  40   9.652   2.763   8.904
  331   2HD   LYS  40          2HD       LYS  40  11.376   2.834   8.540
  332   1HE   LYS  40          1HE       LYS  40  10.422   5.068   8.642
  333   2HE   LYS  40          2HE       LYS  40  10.971   4.700   7.008
  334   1HZ   LYS  40          1HZ       LYS  40   8.177   4.140   7.679
  335   2HZ   LYS  40          2HZ       LYS  40   8.627   5.757   7.459
  336   3HZ   LYS  40          3HZ       LYS  40   8.855   4.638   6.211
  337    H    GLU  41           H        GLU  41  12.123   1.722   3.180
  338    HA   GLU  41           HA       GLU  41  14.911   2.196   3.228
  339   1HB   GLU  41          1HB       GLU  41  13.935   0.107   2.390
  340   2HB   GLU  41          2HB       GLU  41  13.205   0.978   1.049
  341   1HG   GLU  41          1HG       GLU  41  15.172  -0.164   0.289
  342   2HG   GLU  41          2HG       GLU  41  15.453   1.576   0.245
  343    H    GLN  42           H        GLN  42  12.314   3.402   1.150
  344    HA   GLN  42           HA       GLN  42  13.868   4.751  -0.725
  345   1HB   GLN  42          1HB       GLN  42  11.471   4.360  -1.011
  346   2HB   GLN  42          2HB       GLN  42  11.121   5.475   0.305
  347   1HG   GLN  42          1HG       GLN  42  12.015   7.319  -0.971
  348   2HG   GLN  42          2HG       GLN  42  12.491   6.226  -2.267
  349   2HE2  GLN  42          2HE2      GLN  42   9.676   5.004  -1.180
  350   1HE2  GLN  42          1HE2      GLN  42   8.569   5.817  -2.226
  351    H    LEU  43           H        LEU  43  12.880   5.706   2.501
  352    HA   LEU  43           HA       LEU  43  13.366   8.435   2.389
  353   1HB   LEU  43          1HB       LEU  43  13.753   6.508   4.669
  354   2HB   LEU  43          2HB       LEU  43  13.829   8.251   4.844
  355    HG   LEU  43           HG       LEU  43  11.406   6.728   3.887
  356   1HD1  LEU  43          1HD1      LEU  43  12.171   6.433   6.326
  357   2HD1  LEU  43          2HD1      LEU  43  11.671   8.112   6.529
  358   3HD1  LEU  43          3HD1      LEU  43  10.498   6.898   6.021
  359   1HD2  LEU  43          1HD2      LEU  43  11.603   9.044   3.045
  360   2HD2  LEU  43          2HD2      LEU  43  10.232   8.819   4.132
  361   3HD2  LEU  43          3HD2      LEU  43  11.696   9.613   4.712
  362    H    HIS  44           H        HIS  44  15.653   5.819   3.177
  363    HA   HIS  44           HA       HIS  44  17.840   7.763   2.823
  364   1HB   HIS  44          1HB       HIS  44  17.777   5.261   4.520
  365   2HB   HIS  44          2HB       HIS  44  19.196   6.274   4.279
  366    HD1  HIS  44           HD1      HIS  44  18.613   6.088   7.083
  367    HD2  HIS  44           HD2      HIS  44  16.500   8.761   4.704
  368    HE1  HIS  44           HE1      HIS  44  17.680   7.805   8.666
  369    HE2  HIS  44           HE2      HIS  44  16.314   9.347   7.216
  370    H    THR  45           H        THR  45  17.009   6.820   0.496
  371    HA   THR  45           HA       THR  45  17.986   4.337  -0.367
  372    HB   THR  45           HB       THR  45  17.925   5.298  -2.659
  373    HG1  THR  45           HG1      THR  45  16.822   7.571  -2.450
  374   1HG2  THR  45          1HG2      THR  45  15.826   4.734  -0.988
  375   2HG2  THR  45          2HG2      THR  45  15.409   6.336  -1.594
  376   3HG2  THR  45          3HG2      THR  45  15.701   5.015  -2.725
  377    H    LYS  46           H        LYS  46  19.945   3.613  -0.944
  378    HA   LYS  46           HA       LYS  46  22.244   5.295  -0.475
  379   1HB   LYS  46          1HB       LYS  46  21.994   2.405  -1.323
  380   2HB   LYS  46          2HB       LYS  46  23.531   3.213  -1.062
  381   1HG   LYS  46          1HG       LYS  46  23.019   1.948   0.885
  382   2HG   LYS  46          2HG       LYS  46  22.828   3.654   1.285
  383   1HD   LYS  46          1HD       LYS  46  20.408   3.451   1.012
  384   2HD   LYS  46          2HD       LYS  46  20.594   1.749   0.585
  385   1HE   LYS  46          1HE       LYS  46  21.556   1.310   2.797
  386   2HE   LYS  46          2HE       LYS  46  21.351   3.009   3.220
  387   1HZ   LYS  46          1HZ       LYS  46  18.952   1.706   2.275
  388   2HZ   LYS  46          2HZ       LYS  46  19.552   1.085   3.729
  389   3HZ   LYS  46          3HZ       LYS  46  19.178   2.730   3.604
  390    H    GLY  47           H        GLY  47  20.831   6.379  -2.543
  391   1HA   GLY  47          1HA       GLY  47  22.789   6.509  -4.594
  392   2HA   GLY  47          2HA       GLY  47  21.195   7.252  -4.639
  393    H    ARG  48           H        ARG  48  23.136   4.574  -5.611
  394    HA   ARG  48           HA       ARG  48  21.490   3.894  -7.771
  395   1HB   ARG  48          1HB       ARG  48  23.589   2.198  -6.406
  396   2HB   ARG  48          2HB       ARG  48  22.919   1.907  -8.006
  397   1HG   ARG  48          1HG       ARG  48  23.835   4.047  -8.770
  398   2HG   ARG  48          2HG       ARG  48  24.535   4.303  -7.171
  399   1HD   ARG  48          1HD       ARG  48  26.211   3.438  -8.695
  400   2HD   ARG  48          2HD       ARG  48  25.859   2.255  -7.436
  401    HE   ARG  48           HE       ARG  48  25.253   0.819  -9.089
  402   1HH1  ARG  48          1HH1      ARG  48  24.821   4.070 -10.274
  403   2HH1  ARG  48          2HH1      ARG  48  24.296   3.563 -11.844
  404   1HH2  ARG  48          1HH2      ARG  48  24.563   0.147 -11.152
  405   2HH2  ARG  48          2HH2      ARG  48  24.149   1.334 -12.343
  406    HA   PRO  49           HA       PRO  49  18.244   1.466  -6.044
  407   1HB   PRO  49          1HB       PRO  49  17.930  -0.351  -8.100
  408   2HB   PRO  49          2HB       PRO  49  17.236   1.273  -8.074
  409   1HG   PRO  49          1HG       PRO  49  19.716   0.294  -9.423
  410   2HG   PRO  49          2HG       PRO  49  18.497   1.439 -10.011
  411   1HD   PRO  49          1HD       PRO  49  20.864   2.269  -9.062
  412   2HD   PRO  49          2HD       PRO  49  19.377   3.196  -8.779
  413    H    PHE  50           H        PHE  50  18.137  -0.212  -4.687
  414    HA   PHE  50           HA       PHE  50  20.158  -2.342  -4.940
  415   1HB   PHE  50          1HB       PHE  50  20.597  -0.860  -3.018
  416   2HB   PHE  50          2HB       PHE  50  18.985  -1.199  -2.396
  417    HD1  PHE  50           HD1      PHE  50  21.629  -3.425  -3.803
  418    HD2  PHE  50           HD2      PHE  50  19.196  -2.414  -0.461
  419    HE1  PHE  50           HE1      PHE  50  22.510  -5.369  -2.578
  420    HE2  PHE  50           HE2      PHE  50  20.073  -4.354   0.769
  421    HZ   PHE  50           HZ       PHE  50  21.732  -5.834  -0.288
  422    H    ARG  51           H        ARG  51  19.517  -4.453  -4.562
  423    HA   ARG  51           HA       ARG  51  16.744  -5.012  -5.016
  424   1HB   ARG  51          1HB       ARG  51  19.048  -6.870  -4.431
  425   2HB   ARG  51          2HB       ARG  51  17.445  -7.366  -4.946
  426   1HG   ARG  51          1HG       ARG  51  17.732  -6.229  -7.048
  427   2HG   ARG  51          2HG       ARG  51  19.316  -5.642  -6.539
  428   1HD   ARG  51          1HD       ARG  51  18.515  -8.526  -6.916
  429   2HD   ARG  51          2HD       ARG  51  19.533  -7.581  -8.002
  430    HE   ARG  51           HE       ARG  51  20.382  -8.953  -5.699
  431   1HH1  ARG  51          1HH1      ARG  51  20.857  -5.915  -7.349
  432   2HH1  ARG  51          2HH1      ARG  51  22.457  -5.684  -6.727
  433   1HH2  ARG  51          1HH2      ARG  51  22.486  -8.652  -4.883
  434   2HH2  ARG  51          2HH2      ARG  51  23.382  -7.237  -5.328
  435    H    GLY  52           H        GLY  52  17.216  -3.674  -2.524
  436   1HA   GLY  52          1HA       GLY  52  16.846  -3.875  -0.238
  437   2HA   GLY  52          2HA       GLY  52  16.971  -5.613  -0.414
  438    H    MET  53           H        MET  53  14.837  -3.304  -1.948
  439    HA   MET  53           HA       MET  53  12.541  -4.939  -1.655
  440   1HB   MET  53          1HB       MET  53  12.771  -4.127   0.660
  441   2HB   MET  53          2HB       MET  53  12.687  -2.473   0.080
  442   1HG   MET  53          1HG       MET  53  10.431  -2.880  -0.764
  443   2HG   MET  53          2HG       MET  53  10.512  -4.536  -0.167
  444   1HE   MET  53          1HE       MET  53   8.244  -3.302   0.349
  445   2HE   MET  53          2HE       MET  53   8.185  -4.135   1.902
  446   3HE   MET  53          3HE       MET  53   7.943  -2.389   1.827
  447    H    SER  54           H        SER  54  10.778  -4.161  -2.841
  448    HA   SER  54           HA       SER  54  10.733  -1.491  -3.880
  449   1HB   SER  54          1HB       SER  54  12.485  -2.589  -5.304
  450   2HB   SER  54          2HB       SER  54  11.256  -3.723  -5.859
  451    HG   SER  54           HG       SER  54  11.389  -2.048  -7.328
  452    H    GLU  55           H        GLU  55   9.225  -2.242  -6.273
  453    HA   GLU  55           HA       GLU  55   6.658  -2.397  -5.148
  454   1HB   GLU  55          1HB       GLU  55   7.515  -2.927  -7.999
  455   2HB   GLU  55          2HB       GLU  55   5.865  -2.635  -7.465
  456   1HG   GLU  55          1HG       GLU  55   8.133  -0.678  -7.199
  457   2HG   GLU  55          2HG       GLU  55   6.923  -0.659  -8.479
  458    H    GLU  56           H        GLU  56   8.845  -4.842  -6.344
  459    HA   GLU  56           HA       GLU  56   7.027  -6.946  -6.672
  460   1HB   GLU  56          1HB       GLU  56   9.002  -8.427  -6.412
  461   2HB   GLU  56          2HB       GLU  56   9.255  -7.117  -7.557
  462   1HG   GLU  56          1HG       GLU  56  10.503  -5.877  -5.867
  463   2HG   GLU  56          2HG       GLU  56  10.246  -7.188  -4.715
  464    H    GLU  57           H        GLU  57   9.034  -6.134  -3.819
  465    HA   GLU  57           HA       GLU  57   7.937  -8.215  -2.231
  466   1HB   GLU  57          1HB       GLU  57  10.096  -7.353  -1.649
  467   2HB   GLU  57          2HB       GLU  57   9.460  -5.724  -1.468
  468   1HG   GLU  57          1HG       GLU  57   8.457  -6.190   0.551
  469   2HG   GLU  57          2HG       GLU  57   8.381  -7.925   0.235
  470    H    VAL  58           H        VAL  58   7.241  -4.733  -2.437
  471    HA   VAL  58           HA       VAL  58   5.367  -4.588  -0.375
  472    HB   VAL  58           HB       VAL  58   5.339  -3.036  -2.971
  473   1HG1  VAL  58          1HG1      VAL  58   3.391  -3.120  -1.050
  474   2HG1  VAL  58          2HG1      VAL  58   4.364  -1.737  -0.546
  475   3HG1  VAL  58          3HG1      VAL  58   3.671  -1.784  -2.167
  476   1HG2  VAL  58          1HG2      VAL  58   7.267  -3.061  -0.932
  477   2HG2  VAL  58          2HG2      VAL  58   7.110  -1.902  -2.252
  478   3HG2  VAL  58          3HG2      VAL  58   6.331  -1.585  -0.701
  479    H    PHE  59           H        PHE  59   4.966  -5.382  -3.789
  480    HA   PHE  59           HA       PHE  59   2.165  -5.659  -3.776
  481   1HB   PHE  59          1HB       PHE  59   3.470  -5.401  -5.837
  482   2HB   PHE  59          2HB       PHE  59   4.236  -6.958  -5.561
  483    HD1  PHE  59           HD1      PHE  59   0.675  -5.838  -5.416
  484    HD2  PHE  59           HD2      PHE  59   3.557  -8.432  -7.171
  485    HE1  PHE  59           HE1      PHE  59  -1.105  -6.936  -6.711
  486    HE2  PHE  59           HE2      PHE  59   1.780  -9.536  -8.467
  487    HZ   PHE  59           HZ       PHE  59  -0.553  -8.787  -8.239
  488    H    THR  60           H        THR  60   4.794  -7.904  -3.125
  489    HA   THR  60           HA       THR  60   3.269 -10.271  -3.055
  490    HB   THR  60           HB       THR  60   5.872  -9.612  -1.667
  491    HG1  THR  60           HG1      THR  60   6.100 -11.313  -3.714
  492   1HG2  THR  60          1HG2      THR  60   4.241 -12.085  -1.777
  493   2HG2  THR  60          2HG2      THR  60   5.981 -12.264  -2.002
  494   3HG2  THR  60          3HG2      THR  60   5.354 -11.514  -0.533
  495    H    GLU  61           H        GLU  61   4.488  -8.289  -0.341
  496    HA   GLU  61           HA       GLU  61   3.287  -9.727   1.708
  497   1HB   GLU  61          1HB       GLU  61   3.942  -6.782   1.602
  498   2HB   GLU  61          2HB       GLU  61   3.558  -7.676   3.067
  499   1HG   GLU  61          1HG       GLU  61   5.892  -8.252   1.256
  500   2HG   GLU  61          2HG       GLU  61   5.971  -7.320   2.750
  501    H    VAL  62           H        VAL  62   2.038  -6.897  -0.063
  502    HA   VAL  62           HA       VAL  62  -0.373  -6.683   1.400
  503    HB   VAL  62           HB       VAL  62   0.192  -5.856  -1.458
  504   1HG1  VAL  62          1HG1      VAL  62  -2.264  -6.120  -0.515
  505   2HG1  VAL  62          2HG1      VAL  62  -1.894  -4.557   0.214
  506   3HG1  VAL  62          3HG1      VAL  62  -1.808  -4.756  -1.537
  507   1HG2  VAL  62          1HG2      VAL  62   1.618  -4.870   0.398
  508   2HG2  VAL  62          2HG2      VAL  62   0.756  -3.724  -0.629
  509   3HG2  VAL  62          3HG2      VAL  62   0.143  -4.101   0.982
  510    H    ALA  63           H        ALA  63   0.509  -8.447  -1.542
  511    HA   ALA  63           HA       ALA  63  -2.049  -9.397  -2.213
  512   1HB   ALA  63          1HB       ALA  63  -0.352 -11.396  -3.034
  513   2HB   ALA  63          2HB       ALA  63   0.707  -9.988  -2.971
  514   3HB   ALA  63          3HB       ALA  63  -0.755  -9.948  -3.956
  515    H    ASN  64           H        ASN  64   0.474 -10.649  -0.098
  516    HA   ASN  64           HA       ASN  64  -0.678 -13.122   0.536
  517   1HB   ASN  64          1HB       ASN  64   1.247 -11.322   1.994
  518   2HB   ASN  64          2HB       ASN  64   0.714 -12.856   2.680
  519   2HD2  ASN  64          2HD2      ASN  64   3.170 -11.491   1.105
  520   1HD2  ASN  64          1HD2      ASN  64   3.762 -12.842   0.207
  521    H    LEU  65           H        LEU  65  -0.993  -9.945   2.065
  522    HA   LEU  65           HA       LEU  65  -2.647 -10.716   4.211
  523   1HB   LEU  65          1HB       LEU  65  -1.736  -8.271   2.943
  524   2HB   LEU  65          2HB       LEU  65  -3.391  -8.136   3.496
  525    HG   LEU  65           HG       LEU  65  -1.056  -8.920   5.232
  526   1HD1  LEU  65          1HD1      LEU  65  -1.835  -6.418   4.216
  527   2HD1  LEU  65          2HD1      LEU  65  -2.306  -6.453   5.917
  528   3HD1  LEU  65          3HD1      LEU  65  -0.630  -6.761   5.459
  529   1HD2  LEU  65          1HD2      LEU  65  -3.922  -9.050   5.586
  530   2HD2  LEU  65          2HD2      LEU  65  -2.633  -9.651   6.630
  531   3HD2  LEU  65          3HD2      LEU  65  -3.175  -7.978   6.770
  532    H    PHE  66           H        PHE  66  -3.500  -9.002   1.242
  533    HA   PHE  66           HA       PHE  66  -6.300  -9.438   1.527
  534   1HB   PHE  66          1HB       PHE  66  -4.650  -8.481  -0.818
  535   2HB   PHE  66          2HB       PHE  66  -6.406  -8.481  -0.782
  536    HD1  PHE  66           HD1      PHE  66  -5.238  -7.719   2.449
  537    HD2  PHE  66           HD2      PHE  66  -5.744  -6.027  -1.426
  538    HE1  PHE  66           HE1      PHE  66  -5.196  -5.465   3.432
  539    HE2  PHE  66           HE2      PHE  66  -5.708  -3.771  -0.444
  540    HZ   PHE  66           HZ       PHE  66  -5.434  -3.488   1.985
  541    H    ARG  67           H        ARG  67  -4.869 -11.938   1.562
  542    HA   ARG  67           HA       ARG  67  -4.906 -13.279  -0.897
  543   1HB   ARG  67          1HB       ARG  67  -3.862 -14.102   1.250
  544   2HB   ARG  67          2HB       ARG  67  -5.479 -14.517   1.800
  545   1HG   ARG  67          1HG       ARG  67  -4.415 -16.487   0.956
  546   2HG   ARG  67          2HG       ARG  67  -5.709 -16.024  -0.153
  547   1HD   ARG  67          1HD       ARG  67  -4.063 -14.963  -1.624
  548   2HD   ARG  67          2HD       ARG  67  -2.773 -15.422  -0.514
  549    HE   ARG  67           HE       ARG  67  -2.756 -17.457  -1.524
  550   1HH1  ARG  67          1HH1      ARG  67  -5.924 -16.070  -1.962
  551   2HH1  ARG  67          2HH1      ARG  67  -6.511 -17.393  -2.913
  552   1HH2  ARG  67          1HH2      ARG  67  -3.522 -19.199  -2.777
  553   2HH2  ARG  67          2HH2      ARG  67  -5.146 -19.170  -3.376
  554    H    GLY  68           H        GLY  68  -6.533 -14.043  -2.126
  555   1HA   GLY  68          1HA       GLY  68  -9.106 -14.702  -0.982
  556   2HA   GLY  68          2HA       GLY  68  -8.656 -14.819  -2.679
  557    H    GLN  69           H        GLN  69  -8.328 -11.964  -0.648
  558    HA   GLN  69           HA       GLN  69 -10.697 -10.677  -1.654
  559   1HB   GLN  69          1HB       GLN  69  -8.386  -9.373  -0.209
  560   2HB   GLN  69          2HB       GLN  69 -10.057  -8.830  -0.278
  561   1HG   GLN  69          1HG       GLN  69  -9.190 -11.389   1.043
  562   2HG   GLN  69          2HG       GLN  69  -9.344  -9.850   1.890
  563   2HE2  GLN  69          2HE2      GLN  69 -11.112  -9.804   3.044
  564   1HE2  GLN  69          1HE2      GLN  69 -12.660 -10.423   2.579
  565    H    GLU  70           H        GLU  70  -9.073 -11.511  -3.768
  566    HA   GLU  70           HA       GLU  70  -7.225  -9.793  -4.791
  567   1HB   GLU  70          1HB       GLU  70  -8.309 -12.101  -5.566
  568   2HB   GLU  70          2HB       GLU  70  -9.139 -11.021  -6.678
  569   1HG   GLU  70          1HG       GLU  70  -6.919 -10.115  -7.299
  570   2HG   GLU  70          2HG       GLU  70  -6.191 -11.400  -6.348
  571    H    ASP  71           H        ASP  71 -10.504  -9.087  -4.263
  572    HA   ASP  71           HA       ASP  71 -11.102  -7.456  -6.466
  573   1HB   ASP  71          1HB       ASP  71 -12.798  -6.417  -5.011
  574   2HB   ASP  71          2HB       ASP  71 -12.818  -8.172  -4.876
  575    H    LEU  72           H        LEU  72  -9.720  -6.642  -3.301
  576    HA   LEU  72           HA       LEU  72  -9.273  -3.895  -3.951
  577   1HB   LEU  72          1HB       LEU  72  -8.034  -5.602  -1.787
  578   2HB   LEU  72          2HB       LEU  72  -7.968  -3.851  -1.872
  579    HG   LEU  72           HG       LEU  72 -10.497  -5.467  -1.537
  580   1HD1  LEU  72          1HD1      LEU  72  -9.033  -5.607   0.422
  581   2HD1  LEU  72          2HD1      LEU  72  -8.947  -3.846   0.479
  582   3HD1  LEU  72          3HD1      LEU  72 -10.484  -4.663   0.757
  583   1HD2  LEU  72          1HD2      LEU  72  -9.926  -2.514  -1.598
  584   2HD2  LEU  72          2HD2      LEU  72 -11.043  -3.432  -2.609
  585   3HD2  LEU  72          3HD2      LEU  72 -11.397  -3.191  -0.898
  586    H    LEU  73           H        LEU  73  -7.444  -6.859  -4.117
  587    HA   LEU  73           HA       LEU  73  -4.863  -6.006  -4.421
  588   1HB   LEU  73          1HB       LEU  73  -6.302  -8.348  -4.656
  589   2HB   LEU  73          2HB       LEU  73  -5.645  -8.123  -6.249
  590    HG   LEU  73           HG       LEU  73  -4.069  -9.470  -5.173
  591   1HD1  LEU  73          1HD1      LEU  73  -3.092  -6.644  -4.803
  592   2HD1  LEU  73          2HD1      LEU  73  -2.080  -8.090  -4.852
  593   3HD1  LEU  73          3HD1      LEU  73  -2.985  -7.597  -6.285
  594   1HD2  LEU  73          1HD2      LEU  73  -5.172  -8.878  -2.903
  595   2HD2  LEU  73          2HD2      LEU  73  -3.491  -9.408  -2.951
  596   3HD2  LEU  73          3HD2      LEU  73  -3.871  -7.692  -2.789
  597    H    SER  74           H        SER  74  -7.419  -6.253  -6.840
  598    HA   SER  74           HA       SER  74  -5.949  -5.699  -9.131
  599   1HB   SER  74          1HB       SER  74  -8.282  -6.485  -9.142
  600   2HB   SER  74          2HB       SER  74  -8.807  -4.921  -8.516
  601    HG   SER  74           HG       SER  74  -8.179  -5.651 -11.066
  602    H    GLU  75           H        GLU  75  -7.460  -3.489  -6.816
  603    HA   GLU  75           HA       GLU  75  -6.912  -1.127  -8.281
  604   1HB   GLU  75          1HB       GLU  75  -7.420  -1.509  -5.327
  605   2HB   GLU  75          2HB       GLU  75  -7.419   0.039  -6.158
  606   1HG   GLU  75          1HG       GLU  75  -9.277  -0.773  -7.579
  607   2HG   GLU  75          2HG       GLU  75  -9.314  -2.252  -6.621
  608    H    PHE  76           H        PHE  76  -5.221  -2.717  -5.591
  609    HA   PHE  76           HA       PHE  76  -3.179  -0.838  -5.252
  610   1HB   PHE  76          1HB       PHE  76  -3.610  -2.680  -3.680
  611   2HB   PHE  76          2HB       PHE  76  -3.059  -3.839  -4.878
  612    HD1  PHE  76           HD1      PHE  76  -1.604  -0.569  -3.834
  613    HD2  PHE  76           HD2      PHE  76  -1.149  -4.796  -4.028
  614    HE1  PHE  76           HE1      PHE  76   0.694  -0.358  -2.983
  615    HE2  PHE  76           HE2      PHE  76   1.149  -4.592  -3.177
  616    HZ   PHE  76           HZ       PHE  76   2.073  -2.370  -2.653
  617    H    GLY  77           H        GLY  77  -3.436  -3.611  -7.398
  618   1HA   GLY  77          1HA       GLY  77  -2.243  -4.272  -9.229
  619   2HA   GLY  77          2HA       GLY  77  -0.833  -3.623  -8.413
  620    H    GLN  78           H        GLN  78  -3.700  -1.887  -9.640
  621    HA   GLN  78           HA       GLN  78  -2.608  -1.006 -12.029
  622   1HB   GLN  78          1HB       GLN  78  -4.348   0.545 -12.179
  623   2HB   GLN  78          2HB       GLN  78  -5.010  -0.757 -11.200
  624   1HG   GLN  78          1HG       GLN  78  -4.599   0.533  -9.188
  625   2HG   GLN  78          2HG       GLN  78  -3.891   1.818 -10.154
  626   2HE2  GLN  78          2HE2      GLN  78  -6.328   0.596 -11.962
  627   1HE2  GLN  78          1HE2      GLN  78  -7.601   1.659 -11.489
  628    H    PHE  79           H        PHE  79  -2.302   0.435  -8.802
  629    HA   PHE  79           HA       PHE  79  -0.978   2.785  -9.614
  630   1HB   PHE  79          1HB       PHE  79  -0.954   1.250  -7.017
  631   2HB   PHE  79          2HB       PHE  79  -0.025   2.728  -7.235
  632    HD1  PHE  79           HD1      PHE  79  -3.515   1.589  -7.967
  633    HD2  PHE  79           HD2      PHE  79  -0.976   4.584  -6.327
  634    HE1  PHE  79           HE1      PHE  79  -5.489   2.926  -7.360
  635    HE2  PHE  79           HE2      PHE  79  -2.947   5.925  -5.717
  636    HZ   PHE  79           HZ       PHE  79  -5.206   5.097  -6.233
  637    H    LEU  80           H        LEU  80   0.258  -0.371  -8.582
  638    HA   LEU  80           HA       LEU  80   2.996   0.244  -8.782
  639   1HB   LEU  80          1HB       LEU  80   1.674  -2.443  -9.172
  640   2HB   LEU  80          2HB       LEU  80   3.358  -2.161  -8.777
  641    HG   LEU  80           HG       LEU  80   1.011  -1.513  -6.990
  642   1HD1  LEU  80          1HD1      LEU  80   2.801  -3.859  -7.254
  643   2HD1  LEU  80          2HD1      LEU  80   2.380  -3.331  -5.624
  644   3HD1  LEU  80          3HD1      LEU  80   1.109  -3.769  -6.765
  645   1HD2  LEU  80          1HD2      LEU  80   3.108  -0.055  -6.842
  646   2HD2  LEU  80          2HD2      LEU  80   2.538  -0.815  -5.357
  647   3HD2  LEU  80          3HD2      LEU  80   3.915  -1.496  -6.225
  648    HA   PRO  81           HA       PRO  81   3.918   0.497 -13.086
  649   1HB   PRO  81          1HB       PRO  81   6.111  -1.410 -12.544
  650   2HB   PRO  81          2HB       PRO  81   6.169   0.172 -13.318
  651   1HG   PRO  81          1HG       PRO  81   7.045  -0.164 -10.820
  652   2HG   PRO  81          2HG       PRO  81   6.181   1.307 -11.299
  653   1HD   PRO  81          1HD       PRO  81   5.226  -1.019  -9.699
  654   2HD   PRO  81          2HD       PRO  81   4.804   0.699  -9.561
  655    H    GLU  82           H        GLU  82   3.407  -0.586 -14.938
  656    HA   GLU  82           HA       GLU  82   3.370  -3.469 -15.025
  657   1HB   GLU  82          1HB       GLU  82   1.231  -2.912 -13.885
  658   2HB   GLU  82          2HB       GLU  82   0.763  -1.959 -15.287
  659   1HG   GLU  82          1HG       GLU  82   0.819  -3.959 -16.677
  660   2HG   GLU  82          2HG       GLU  82   1.311  -4.919 -15.283
  661    H    ALA  83           H        ALA  83   4.966  -2.378 -16.598
  662    HA   ALA  83           HA       ALA  83   5.617  -2.108 -18.756
  663   1HB   ALA  83          1HB       ALA  83   4.454  -3.200 -20.448
  664   2HB   ALA  83          2HB       ALA  83   3.998  -4.088 -18.994
  665   3HB   ALA  83          3HB       ALA  83   2.887  -2.910 -19.693
  666    H    LYS  84           H        LYS  84   5.032   0.204 -17.593
  667    HA   LYS  84           HA       LYS  84   4.622   2.395 -18.020
  668   1HB   LYS  84          1HB       LYS  84   5.683   1.897 -20.188
  669   2HB   LYS  84          2HB       LYS  84   4.115   1.451 -20.846
  670   1HG   LYS  84          1HG       LYS  84   3.319   3.739 -20.486
  671   2HG   LYS  84          2HG       LYS  84   4.905   4.182 -19.850
  672   1HD   LYS  84          1HD       LYS  84   5.914   3.561 -22.014
  673   2HD   LYS  84          2HD       LYS  84   4.304   3.196 -22.639
  674   1HE   LYS  84          1HE       LYS  84   5.254   5.882 -21.646
  675   2HE   LYS  84          2HE       LYS  84   5.053   5.417 -23.334
  676   1HZ   LYS  84          1HZ       LYS  84   2.643   4.910 -22.588
  677   2HZ   LYS  84          2HZ       LYS  84   2.997   5.947 -21.300
  678   3HZ   LYS  84          3HZ       LYS  84   3.099   6.511 -22.891
  679    H    ARG  85           H        ARG  85   2.938   3.699 -17.652
  680    HA   ARG  85           HA       ARG  85   0.334   2.634 -17.389
  681   1HB   ARG  85          1HB       ARG  85   1.077   4.433 -15.958
  682   2HB   ARG  85          2HB       ARG  85   1.341   5.483 -17.341
  683   1HG   ARG  85          1HG       ARG  85  -0.686   6.091 -16.158
  684   2HG   ARG  85          2HG       ARG  85  -1.058   5.516 -17.784
  685   1HD   ARG  85          1HD       ARG  85  -1.689   3.344 -16.892
  686   2HD   ARG  85          2HD       ARG  85  -1.251   3.865 -15.266
  687    HE   ARG  85           HE       ARG  85  -3.343   4.731 -15.111
  688   1HH1  ARG  85          1HH1      ARG  85  -2.406   4.820 -18.473
  689   2HH1  ARG  85          2HH1      ARG  85  -3.897   5.528 -18.999
  690   1HH2  ARG  85          1HH2      ARG  85  -5.302   5.661 -15.801
  691   2HH2  ARG  85          2HH2      ARG  85  -5.542   6.004 -17.482
  692    H1   ASN   1           H1       ASN   1   4.319   6.307  -5.838
  693    H2   ASN   1           H2       ASN   1   3.725   7.273  -7.093
  694    H3   ASN   1           H3       ASN   1   3.593   7.797  -5.490
  695    HA   ASN   1           HA       ASN   1   1.469   7.020  -6.204
  696   1HB   ASN   1          1HB       ASN   1   2.957   4.468  -6.865
  697   2HB   ASN   1          2HB       ASN   1   1.213   4.686  -6.980
  698   2HD2  ASN   1          2HD2      ASN   1   3.954   4.594  -8.722
  699   1HD2  ASN   1          1HD2      ASN   1   3.490   5.564 -10.075
  700    H    ILE   2           H        ILE   2   3.876   4.963  -4.618
  701    HA   ILE   2           HA       ILE   2   2.110   3.802  -2.746
  702    HB   ILE   2           HB       ILE   2   5.094   4.201  -2.502
  703   1HG1  ILE   2          1HG1      ILE   2   4.536   2.962  -4.519
  704   2HG1  ILE   2          2HG1      ILE   2   5.222   1.864  -3.327
  705   1HG2  ILE   2          1HG2      ILE   2   3.203   2.374  -1.029
  706   2HG2  ILE   2          2HG2      ILE   2   4.962   2.268  -0.952
  707   3HG2  ILE   2          3HG2      ILE   2   4.138   3.708  -0.353
  708   1HD1  ILE   2          1HD1      ILE   2   2.389   1.909  -3.023
  709   2HD1  ILE   2          2HD1      ILE   2   2.793   1.626  -4.716
  710   3HD1  ILE   2          3HD1      ILE   2   3.443   0.567  -3.466
  711    H    GLN   3           H        GLN   3   4.135   6.700  -2.627
  712    HA   GLN   3           HA       GLN   3   3.859   7.311   0.076
  713   1HB   GLN   3          1HB       GLN   3   5.423   8.442  -1.500
  714   2HB   GLN   3          2HB       GLN   3   4.052   9.260  -2.232
  715   1HG   GLN   3          1HG       GLN   3   4.626   9.530   0.691
  716   2HG   GLN   3          2HG       GLN   3   5.471  10.513  -0.499
  717   2HE2  GLN   3          2HE2      GLN   3   2.711  10.162  -2.014
  718   1HE2  GLN   3          1HE2      GLN   3   1.788  11.466  -1.360
  719    H    MET   4           H        MET   4   1.735   7.793  -2.653
  720    HA   MET   4           HA       MET   4  -0.087   9.587  -1.524
  721   1HB   MET   4          1HB       MET   4  -0.562   7.384  -3.541
  722   2HB   MET   4          2HB       MET   4  -1.705   8.668  -3.173
  723   1HG   MET   4          1HG       MET   4   1.053   9.049  -4.313
  724   2HG   MET   4          2HG       MET   4  -0.456   9.112  -5.220
  725   1HE   MET   4          1HE       MET   4   1.522  11.162  -5.565
  726   2HE   MET   4          2HE       MET   4   0.000  11.870  -6.108
  727   3HE   MET   4          3HE       MET   4   1.049  12.768  -5.010
  728    H    LEU   5           H        LEU   5   0.139   6.058  -1.324
  729    HA   LEU   5           HA       LEU   5  -2.321   5.766   0.088
  730   1HB   LEU   5          1HB       LEU   5   0.006   3.863  -0.183
  731   2HB   LEU   5          2HB       LEU   5  -1.533   3.458   0.554
  732    HG   LEU   5           HG       LEU   5  -0.992   4.101  -2.340
  733   1HD1  LEU   5          1HD1      LEU   5  -1.442   1.687  -0.775
  734   2HD1  LEU   5          2HD1      LEU   5  -2.499   1.822  -2.182
  735   3HD1  LEU   5          3HD1      LEU   5  -0.747   1.886  -2.384
  736   1HD2  LEU   5          1HD2      LEU   5  -3.090   5.205  -1.420
  737   2HD2  LEU   5          2HD2      LEU   5  -3.298   4.128  -2.800
  738   3HD2  LEU   5          3HD2      LEU   5  -3.713   3.573  -1.178
  739    H    LEU   6           H        LEU   6   1.101   5.855   1.128
  740    HA   LEU   6           HA       LEU   6   0.651   5.405   3.859
  741   1HB   LEU   6          1HB       LEU   6   2.769   6.930   2.371
  742   2HB   LEU   6          2HB       LEU   6   2.717   6.985   4.119
  743    HG   LEU   6           HG       LEU   6   4.319   5.356   3.554
  744   1HD1  LEU   6          1HD1      LEU   6   1.739   4.346   4.576
  745   2HD1  LEU   6          2HD1      LEU   6   2.958   3.150   4.137
  746   3HD1  LEU   6          3HD1      LEU   6   3.330   4.389   5.337
  747   1HD2  LEU   6          1HD2      LEU   6   3.213   5.109   1.183
  748   2HD2  LEU   6          2HD2      LEU   6   4.234   3.840   1.865
  749   3HD2  LEU   6          3HD2      LEU   6   2.473   3.694   1.932
  750    H    GLU   7           H        GLU   7   0.596   8.327   1.928
  751    HA   GLU   7           HA       GLU   7   0.062  10.128   4.055
  752   1HB   GLU   7          1HB       GLU   7   1.093  10.830   1.942
  753   2HB   GLU   7          2HB       GLU   7  -0.374  10.403   1.073
  754   1HG   GLU   7          1HG       GLU   7  -1.605  12.124   2.292
  755   2HG   GLU   7          2HG       GLU   7  -0.141  12.548   3.176
  756    H    ALA   8           H        ALA   8  -1.934   8.335   1.784
  757    HA   ALA   8           HA       ALA   8  -4.388   9.610   2.259
  758   1HB   ALA   8          1HB       ALA   8  -3.701   6.850   1.291
  759   2HB   ALA   8          2HB       ALA   8  -4.213   8.248   0.347
  760   3HB   ALA   8          3HB       ALA   8  -5.361   7.433   1.409
  761    H    ALA   9           H        ALA   9  -2.989   6.698   3.750
  762    HA   ALA   9           HA       ALA   9  -5.129   5.987   5.365
  763   1HB   ALA   9          1HB       ALA   9  -2.362   5.289   5.128
  764   2HB   ALA   9          2HB       ALA   9  -2.801   5.413   6.832
  765   3HB   ALA   9          3HB       ALA   9  -3.702   4.336   5.765
  766    H    ASP  10           H        ASP  10  -2.480   8.248   6.025
  767    HA   ASP  10           HA       ASP  10  -3.132   8.806   8.699
  768   1HB   ASP  10          1HB       ASP  10  -0.979   9.416   7.647
  769   2HB   ASP  10          2HB       ASP  10  -1.807  10.622   6.670
  770    H    TYR  11           H        TYR  11  -4.236  10.217   5.667
  771    HA   TYR  11           HA       TYR  11  -5.639  12.409   6.713
  772   1HB   TYR  11          1HB       TYR  11  -5.144  12.303   4.362
  773   2HB   TYR  11          2HB       TYR  11  -6.053  10.805   4.189
  774    HD1  TYR  11           HD1      TYR  11  -6.731  14.225   5.572
  775    HD2  TYR  11           HD2      TYR  11  -8.036  11.041   3.069
  776    HE1  TYR  11           HE1      TYR  11  -8.746  15.513   4.994
  777    HE2  TYR  11           HE2      TYR  11 -10.049  12.319   2.480
  778    HH   TYR  11           HH       TYR  11 -10.968  15.179   4.150
  779    H    LEU  12           H        LEU  12  -6.899   9.225   5.696
  780    HA   LEU  12           HA       LEU  12  -9.538   9.686   6.533
  781   1HB   LEU  12          1HB       LEU  12  -8.016   7.109   6.169
  782   2HB   LEU  12          2HB       LEU  12  -9.742   7.189   6.468
  783    HG   LEU  12           HG       LEU  12  -8.351   8.398   4.075
  784   1HD1  LEU  12          1HD1      LEU  12  -9.534   5.736   4.598
  785   2HD1  LEU  12          2HD1      LEU  12  -9.910   6.486   3.046
  786   3HD1  LEU  12          3HD1      LEU  12  -8.229   6.206   3.507
  787   1HD2  LEU  12          1HD2      LEU  12 -11.203   8.289   4.986
  788   2HD2  LEU  12          2HD2      LEU  12 -10.276   9.664   4.385
  789   3HD2  LEU  12          3HD2      LEU  12 -10.804   8.401   3.273
  790    H    GLU  13           H        GLU  13  -6.917   7.909   8.169
  791    HA   GLU  13           HA       GLU  13  -8.403   7.335  10.497
  792   1HB   GLU  13          1HB       GLU  13  -6.365   6.111   9.872
  793   2HB   GLU  13          2HB       GLU  13  -5.407   7.558  10.153
  794   1HG   GLU  13          1HG       GLU  13  -6.016   7.515  12.511
  795   2HG   GLU  13          2HG       GLU  13  -6.999   6.079  12.237

  No H/Q in entry =         795
  Start of MODEL   12
    1    H1   GLU   1           H1       GLU   1  -5.178  24.013  -6.012
    2    H2   GLU   1           H2       GLU   1  -5.748  24.055  -7.604
    3    H3   GLU   1           H3       GLU   1  -6.201  25.264  -6.511
    4    HA   GLU   1           HA       GLU   1  -8.028  24.102  -6.130
    5   1HB   GLU   1          1HB       GLU   1  -6.580  21.768  -7.398
    6   2HB   GLU   1          2HB       GLU   1  -8.291  21.798  -6.998
    7   1HG   GLU   1          1HG       GLU   1  -8.619  23.649  -8.564
    8   2HG   GLU   1          2HG       GLU   1  -6.906  23.593  -8.975
    9    H    SER   2           H        SER   2  -5.089  22.255  -5.411
   10    HA   SER   2           HA       SER   2  -4.418  21.080  -3.582
   11   1HB   SER   2          1HB       SER   2  -6.329  22.954  -2.163
   12   2HB   SER   2          2HB       SER   2  -5.086  21.976  -1.381
   13    HG   SER   2           HG       SER   2  -4.046  23.434  -3.405
   14    H    ASP   3           H        ASP   3  -6.346  19.812  -5.066
   15    HA   ASP   3           HA       ASP   3  -7.312  17.875  -3.263
   16   1HB   ASP   3          1HB       ASP   3  -8.966  19.658  -2.759
   17   2HB   ASP   3          2HB       ASP   3  -9.450  19.660  -4.452
   18    H    SER   4           H        SER   4  -5.775  17.580  -5.432
   19    HA   SER   4           HA       SER   4  -6.955  17.191  -7.893
   20   1HB   SER   4          1HB       SER   4  -5.052  15.370  -8.016
   21   2HB   SER   4          2HB       SER   4  -4.678  17.082  -8.020
   22    HG   SER   4           HG       SER   4  -4.812  16.400  -5.508
   23    H    VAL   5           H        VAL   5  -7.739  15.460  -8.962
   24    HA   VAL   5           HA       VAL   5  -9.526  13.778  -7.664
   25    HB   VAL   5           HB       VAL   5  -8.178  13.487 -10.349
   26   1HG1  VAL   5          1HG1      VAL   5  -9.060  11.321  -9.422
   27   2HG1  VAL   5          2HG1      VAL   5 -10.666  12.054  -9.416
   28   3HG1  VAL   5          3HG1      VAL   5  -9.804  11.834 -10.938
   29   1HG2  VAL   5          1HG2      VAL   5 -10.531  14.949  -9.341
   30   2HG2  VAL   5          2HG2      VAL   5  -9.472  15.300 -10.707
   31   3HG2  VAL   5          3HG2      VAL   5 -10.752  14.099 -10.871
   32    H    GLU   6           H        GLU   6  -6.189  13.280  -8.660
   33    HA   GLU   6           HA       GLU   6  -5.966  10.539  -8.154
   34   1HB   GLU   6          1HB       GLU   6  -3.839  12.668  -7.885
   35   2HB   GLU   6          2HB       GLU   6  -3.554  10.938  -8.025
   36   1HG   GLU   6          1HG       GLU   6  -4.541  10.951 -10.256
   37   2HG   GLU   6          2HG       GLU   6  -4.836  12.684 -10.115
   38    H    PHE   7           H        PHE   7  -5.623  13.320  -6.005
   39    HA   PHE   7           HA       PHE   7  -4.582  11.967  -3.775
   40   1HB   PHE   7          1HB       PHE   7  -4.587  14.400  -3.901
   41   2HB   PHE   7          2HB       PHE   7  -6.347  14.426  -3.899
   42    HD1  PHE   7           HD1      PHE   7  -3.921  12.548  -1.771
   43    HD2  PHE   7           HD2      PHE   7  -7.015  15.464  -1.962
   44    HE1  PHE   7           HE1      PHE   7  -3.919  12.706   0.684
   45    HE2  PHE   7           HE2      PHE   7  -7.017  15.628   0.492
   46    HZ   PHE   7           HZ       PHE   7  -5.469  14.247   1.818
   47    H    ASN   8           H        ASN   8  -7.968  12.930  -4.402
   48    HA   ASN   8           HA       ASN   8  -9.044  11.425  -2.261
   49   1HB   ASN   8          1HB       ASN   8 -10.388  12.347  -4.818
   50   2HB   ASN   8          2HB       ASN   8 -11.220  11.774  -3.376
   51   2HD2  ASN   8          2HD2      ASN   8 -10.380  14.453  -5.016
   52   1HD2  ASN   8          1HD2      ASN   8 -10.358  15.604  -3.727
   53    H    ASN   9           H        ASN   9  -8.135  10.706  -5.501
   54    HA   ASN   9           HA       ASN   9  -9.522   8.331  -5.993
   55   1HB   ASN   9          1HB       ASN   9  -8.095   9.693  -7.596
   56   2HB   ASN   9          2HB       ASN   9  -6.691   8.951  -6.857
   57   2HD2  ASN   9          2HD2      ASN   9  -8.060   8.905  -9.537
   58   1HD2  ASN   9          1HD2      ASN   9  -8.083   7.236  -9.932
   59    H    ALA  10           H        ALA  10  -6.437   8.976  -4.415
   60    HA   ALA  10           HA       ALA  10  -5.820   6.252  -3.853
   61   1HB   ALA  10          1HB       ALA  10  -4.384   7.767  -2.046
   62   2HB   ALA  10          2HB       ALA  10  -3.852   7.285  -3.657
   63   3HB   ALA  10          3HB       ALA  10  -4.612   8.859  -3.412
   64    H    ILE  11           H        ILE  11  -7.154   8.935  -1.936
   65    HA   ILE  11           HA       ILE  11  -7.281   7.720   0.545
   66    HB   ILE  11           HB       ILE  11  -9.378   9.562  -0.605
   67   1HG1  ILE  11          1HG1      ILE  11  -7.098  10.507  -0.764
   68   2HG1  ILE  11          2HG1      ILE  11  -8.106  11.393   0.370
   69   1HG2  ILE  11          1HG2      ILE  11  -9.392   8.149   1.759
   70   2HG2  ILE  11          2HG2      ILE  11  -8.796   9.744   2.233
   71   3HG2  ILE  11          3HG2      ILE  11 -10.344   9.593   1.400
   72   1HD1  ILE  11          1HD1      ILE  11  -6.573   9.276   1.635
   73   2HD1  ILE  11          2HD1      ILE  11  -5.567  10.480   0.831
   74   3HD1  ILE  11          3HD1      ILE  11  -6.728  10.980   2.061
   75    H    SER  12           H        SER  12  -9.654   7.610  -2.088
   76    HA   SER  12           HA       SER  12 -11.628   6.164  -0.757
   77   1HB   SER  12          1HB       SER  12 -12.048   7.255  -2.901
   78   2HB   SER  12          2HB       SER  12 -10.931   6.153  -3.707
   79    HG   SER  12           HG       SER  12 -12.380   4.442  -2.915
   80    H    TYR  13           H        TYR  13  -8.705   5.063  -2.398
   81    HA   TYR  13           HA       TYR  13  -9.350   2.314  -2.460
   82   1HB   TYR  13          1HB       TYR  13  -7.466   3.233  -3.739
   83   2HB   TYR  13          2HB       TYR  13  -6.630   3.630  -2.242
   84    HD1  TYR  13           HD1      TYR  13  -8.357   0.596  -3.595
   85    HD2  TYR  13           HD2      TYR  13  -4.860   2.223  -1.802
   86    HE1  TYR  13           HE1      TYR  13  -7.342  -1.641  -3.560
   87    HE2  TYR  13           HE2      TYR  13  -3.833  -0.011  -1.764
   88    HH   TYR  13           HH       TYR  13  -5.647  -2.874  -2.523
   89    H    VAL  14           H        VAL  14  -7.344   4.167  -0.201
   90    HA   VAL  14           HA       VAL  14  -6.940   2.115   1.674
   91    HB   VAL  14           HB       VAL  14  -7.062   5.080   2.250
   92   1HG1  VAL  14          1HG1      VAL  14  -6.413   2.755   3.839
   93   2HG1  VAL  14          2HG1      VAL  14  -5.054   3.875   3.754
   94   3HG1  VAL  14          3HG1      VAL  14  -6.622   4.435   4.334
   95   1HG2  VAL  14          1HG2      VAL  14  -4.898   3.383   1.042
   96   2HG2  VAL  14          2HG2      VAL  14  -5.547   4.921   0.473
   97   3HG2  VAL  14          3HG2      VAL  14  -4.526   4.873   1.910
   98    H    ASN  15           H        ASN  15  -9.456   4.523   1.316
   99    HA   ASN  15           HA       ASN  15 -10.779   4.105   3.765
  100   1HB   ASN  15          1HB       ASN  15 -11.133   6.102   2.396
  101   2HB   ASN  15          2HB       ASN  15 -11.846   5.130   1.126
  102   2HD2  ASN  15          2HD2      ASN  15 -12.526   7.129   3.604
  103   1HD2  ASN  15          1HD2      ASN  15 -14.134   6.620   3.974
  104    H    LYS  16           H        LYS  16 -11.156   2.648   0.568
  105    HA   LYS  16           HA       LYS  16 -13.447   1.099   1.184
  106   1HB   LYS  16          1HB       LYS  16 -12.692   1.609  -1.131
  107   2HB   LYS  16          2HB       LYS  16 -11.301   0.561  -0.886
  108   1HG   LYS  16          1HG       LYS  16 -12.841  -1.336  -0.527
  109   2HG   LYS  16          2HG       LYS  16 -14.196  -0.268  -0.896
  110   1HD   LYS  16          1HD       LYS  16 -11.910  -0.938  -2.751
  111   2HD   LYS  16          2HD       LYS  16 -13.547  -1.587  -2.852
  112   1HE   LYS  16          1HE       LYS  16 -14.419   0.658  -3.246
  113   2HE   LYS  16          2HE       LYS  16 -12.792   1.323  -3.112
  114   1HZ   LYS  16          1HZ       LYS  16 -13.070  -0.802  -5.050
  115   2HZ   LYS  16          2HZ       LYS  16 -13.950   0.596  -5.417
  116   3HZ   LYS  16          3HZ       LYS  16 -12.278   0.686  -5.181
  117    H    ILE  17           H        ILE  17  -9.986   0.535   1.389
  118    HA   ILE  17           HA       ILE  17 -10.047  -2.206   1.993
  119    HB   ILE  17           HB       ILE  17  -8.041  -0.087   2.768
  120   1HG1  ILE  17          1HG1      ILE  17  -8.006  -2.160   0.565
  121   2HG1  ILE  17          2HG1      ILE  17  -8.373  -0.454   0.339
  122   1HG2  ILE  17          1HG2      ILE  17  -8.170  -2.343   4.104
  123   2HG2  ILE  17          2HG2      ILE  17  -7.359  -2.982   2.675
  124   3HG2  ILE  17          3HG2      ILE  17  -6.617  -1.676   3.598
  125   1HD1  ILE  17          1HD1      ILE  17  -5.765  -1.420   1.466
  126   2HD1  ILE  17          2HD1      ILE  17  -6.046  -1.187  -0.259
  127   3HD1  ILE  17          3HD1      ILE  17  -6.161   0.183   0.846
  128    H    LYS  18           H        LYS  18 -10.147   0.666   4.052
  129    HA   LYS  18           HA       LYS  18 -10.083  -0.682   6.531
  130   1HB   LYS  18          1HB       LYS  18  -9.641   1.742   6.221
  131   2HB   LYS  18          2HB       LYS  18 -11.341   1.988   5.865
  132   1HG   LYS  18          1HG       LYS  18 -11.916   1.191   8.114
  133   2HG   LYS  18          2HG       LYS  18 -10.200   0.995   8.471
  134   1HD   LYS  18          1HD       LYS  18 -11.527   3.598   7.714
  135   2HD   LYS  18          2HD       LYS  18 -11.139   3.103   9.362
  136   1HE   LYS  18          1HE       LYS  18  -8.767   3.009   8.773
  137   2HE   LYS  18          2HE       LYS  18  -9.156   3.494   7.124
  138   1HZ   LYS  18          1HZ       LYS  18 -10.100   5.226   9.274
  139   2HZ   LYS  18          2HZ       LYS  18  -8.436   5.223   8.973
  140   3HZ   LYS  18          3HZ       LYS  18  -9.520   5.627   7.737
  141    H    THR  19           H        THR  19 -12.777   0.747   4.737
  142    HA   THR  19           HA       THR  19 -14.834  -0.119   6.420
  143    HB   THR  19           HB       THR  19 -15.094   1.614   4.637
  144    HG1  THR  19           HG1      THR  19 -16.882  -0.572   4.863
  145   1HG2  THR  19          1HG2      THR  19 -14.445  -0.662   2.948
  146   2HG2  THR  19          2HG2      THR  19 -15.928   0.149   2.444
  147   3HG2  THR  19          3HG2      THR  19 -14.425   1.062   2.577
  148    H    ARG  20           H        ARG  20 -13.151  -1.777   3.847
  149    HA   ARG  20           HA       ARG  20 -15.024  -3.872   3.512
  150   1HB   ARG  20          1HB       ARG  20 -13.429  -3.481   1.773
  151   2HB   ARG  20          2HB       ARG  20 -12.079  -3.676   2.886
  152   1HG   ARG  20          1HG       ARG  20 -12.472  -5.605   1.351
  153   2HG   ARG  20          2HG       ARG  20 -12.459  -6.016   3.066
  154   1HD   ARG  20          1HD       ARG  20 -14.273  -7.155   1.893
  155   2HD   ARG  20          2HD       ARG  20 -14.892  -6.025   3.095
  156    HE   ARG  20           HE       ARG  20 -14.749  -4.733   0.606
  157   1HH1  ARG  20          1HH1      ARG  20 -16.558  -7.226   2.235
  158   2HH1  ARG  20          2HH1      ARG  20 -17.995  -6.971   1.303
  159   1HH2  ARG  20          1HH2      ARG  20 -16.635  -4.391  -0.626
  160   2HH2  ARG  20          2HH2      ARG  20 -18.038  -5.359  -0.325
  161    H    PHE  21           H        PHE  21 -11.957  -3.728   5.311
  162    HA   PHE  21           HA       PHE  21 -12.683  -6.206   6.673
  163   1HB   PHE  21          1HB       PHE  21 -10.085  -4.667   6.619
  164   2HB   PHE  21          2HB       PHE  21 -10.345  -6.156   7.516
  165    HD1  PHE  21           HD1      PHE  21 -10.219  -4.704   4.118
  166    HD2  PHE  21           HD2      PHE  21 -10.189  -8.252   6.466
  167    HE1  PHE  21           HE1      PHE  21  -9.565  -6.010   2.136
  168    HE2  PHE  21           HE2      PHE  21  -9.521  -9.561   4.501
  169    HZ   PHE  21           HZ       PHE  21  -9.211  -8.441   2.325
  170    H    LEU  22           H        LEU  22 -14.262  -4.059   7.481
  171    HA   LEU  22           HA       LEU  22 -13.324  -2.594   9.663
  172   1HB   LEU  22          1HB       LEU  22 -16.082  -3.655   9.071
  173   2HB   LEU  22          2HB       LEU  22 -15.736  -2.567  10.402
  174    HG   LEU  22           HG       LEU  22 -15.297  -1.934   7.482
  175   1HD1  LEU  22          1HD1      LEU  22 -17.664  -1.914   9.040
  176   2HD1  LEU  22          2HD1      LEU  22 -17.193  -0.241   8.747
  177   3HD1  LEU  22          3HD1      LEU  22 -17.429  -1.340   7.389
  178   1HD2  LEU  22          1HD2      LEU  22 -14.323  -0.720   9.899
  179   2HD2  LEU  22          2HD2      LEU  22 -13.981  -0.304   8.219
  180   3HD2  LEU  22          3HD2      LEU  22 -15.381   0.392   9.032
  181    H    ASP  23           H        ASP  23 -14.717  -5.843   9.530
  182    HA   ASP  23           HA       ASP  23 -14.583  -6.247  12.363
  183   1HB   ASP  23          1HB       ASP  23 -16.233  -7.398  10.914
  184   2HB   ASP  23          2HB       ASP  23 -14.915  -8.278  10.150
  185    H    HIS  24           H        HIS  24 -12.486  -6.588   9.672
  186    HA   HIS  24           HA       HIS  24 -10.537  -8.110  11.255
  187   1HB   HIS  24          1HB       HIS  24 -10.677  -7.674   8.263
  188   2HB   HIS  24          2HB       HIS  24  -9.495  -8.649   9.114
  189    HD1  HIS  24           HD1      HIS  24 -11.280  -9.902   6.946
  190    HD2  HIS  24           HD2      HIS  24 -12.082  -9.920  11.004
  191    HE1  HIS  24           HE1      HIS  24 -12.797 -11.876   7.312
  192    HE2  HIS  24           HE2      HIS  24 -13.357 -11.809   9.771
  193    HA   PRO  25           HA       PRO  25  -8.918  -3.704  11.044
  194   1HB   PRO  25          1HB       PRO  25  -7.970  -3.681  13.582
  195   2HB   PRO  25          2HB       PRO  25  -9.624  -3.223  13.166
  196   1HG   PRO  25          1HG       PRO  25  -8.593  -5.841  14.203
  197   2HG   PRO  25          2HG       PRO  25 -10.026  -4.926  14.712
  198   1HD   PRO  25          1HD       PRO  25 -10.229  -7.023  13.053
  199   2HD   PRO  25          2HD       PRO  25 -11.261  -5.591  12.864
  200    H    GLU  26           H        GLU  26  -7.541  -6.665  12.377
  201    HA   GLU  26           HA       GLU  26  -4.862  -5.983  12.464
  202   1HB   GLU  26          1HB       GLU  26  -4.376  -8.376  12.285
  203   2HB   GLU  26          2HB       GLU  26  -5.722  -8.083  13.371
  204   1HG   GLU  26          1HG       GLU  26  -6.179  -8.787  10.510
  205   2HG   GLU  26          2HG       GLU  26  -5.876 -10.030  11.718
  206    H    ILE  27           H        ILE  27  -6.818  -6.935   9.710
  207    HA   ILE  27           HA       ILE  27  -4.732  -7.391   7.861
  208    HB   ILE  27           HB       ILE  27  -7.279  -6.175   6.915
  209   1HG1  ILE  27          1HG1      ILE  27  -7.790  -7.716   8.885
  210   2HG1  ILE  27          2HG1      ILE  27  -8.620  -8.042   7.377
  211   1HG2  ILE  27          1HG2      ILE  27  -5.408  -7.086   5.460
  212   2HG2  ILE  27          2HG2      ILE  27  -5.929  -8.688   5.982
  213   3HG2  ILE  27          3HG2      ILE  27  -7.043  -7.643   5.101
  214   1HD1  ILE  27          1HD1      ILE  27  -6.145  -9.515   8.198
  215   2HD1  ILE  27          2HD1      ILE  27  -7.774 -10.023   8.662
  216   3HD1  ILE  27          3HD1      ILE  27  -7.325  -9.947   6.954
  217    H    TYR  28           H        TYR  28  -6.760  -4.534   8.443
  218    HA   TYR  28           HA       TYR  28  -5.613  -2.819   6.585
  219   1HB   TYR  28          1HB       TYR  28  -7.715  -2.393   7.817
  220   2HB   TYR  28          2HB       TYR  28  -6.773  -2.081   9.265
  221    HD1  TYR  28           HD1      TYR  28  -6.905  -0.961   5.714
  222    HD2  TYR  28           HD2      TYR  28  -6.380   0.131   9.786
  223    HE1  TYR  28           HE1      TYR  28  -6.713   1.402   5.047
  224    HE2  TYR  28           HE2      TYR  28  -6.194   2.496   9.138
  225    HH   TYR  28           HH       TYR  28  -5.416   3.627   6.515
  226    H    ARG  29           H        ARG  29  -4.805  -3.297   9.996
  227    HA   ARG  29           HA       ARG  29  -2.824  -1.379  10.269
  228   1HB   ARG  29          1HB       ARG  29  -3.066  -4.100  11.554
  229   2HB   ARG  29          2HB       ARG  29  -1.972  -2.841  12.097
  230   1HG   ARG  29          1HG       ARG  29  -4.969  -2.594  11.988
  231   2HG   ARG  29          2HG       ARG  29  -4.032  -2.965  13.434
  232   1HD   ARG  29          1HD       ARG  29  -2.885  -0.821  13.255
  233   2HD   ARG  29          2HD       ARG  29  -3.779  -0.455  11.780
  234    HE   ARG  29           HE       ARG  29  -5.460   0.299  13.108
  235   1HH1  ARG  29          1HH1      ARG  29  -3.651  -2.075  14.911
  236   2HH1  ARG  29          2HH1      ARG  29  -4.617  -1.912  16.339
  237   1HH2  ARG  29          1HH2      ARG  29  -6.734   0.517  14.985
  238   2HH2  ARG  29          2HH2      ARG  29  -6.369  -0.440  16.382
  239    H    SER  30           H        SER  30  -2.406  -4.828   9.495
  240    HA   SER  30           HA       SER  30   0.341  -4.839   9.128
  241   1HB   SER  30          1HB       SER  30  -1.011  -6.887   9.206
  242   2HB   SER  30          2HB       SER  30  -1.731  -6.480   7.649
  243    HG   SER  30           HG       SER  30   1.022  -6.501   7.668
  244    H    PHE  31           H        PHE  31  -2.202  -4.262   6.712
  245    HA   PHE  31           HA       PHE  31  -0.659  -3.957   4.441
  246   1HB   PHE  31          1HB       PHE  31  -3.042  -3.986   4.250
  247   2HB   PHE  31          2HB       PHE  31  -3.207  -2.579   5.295
  248    HD1  PHE  31           HD1      PHE  31  -1.574  -3.551   2.084
  249    HD2  PHE  31           HD2      PHE  31  -3.618  -0.553   4.311
  250    HE1  PHE  31           HE1      PHE  31  -1.583  -2.091   0.103
  251    HE2  PHE  31           HE2      PHE  31  -3.637   0.909   2.331
  252    HZ   PHE  31           HZ       PHE  31  -2.615   0.142   0.225
  253    H    LEU  32           H        LEU  32  -1.560  -1.481   6.825
  254    HA   LEU  32           HA       LEU  32  -0.297   0.682   5.578
  255   1HB   LEU  32          1HB       LEU  32  -0.700   0.250   8.535
  256   2HB   LEU  32          2HB       LEU  32  -0.416   1.786   7.744
  257    HG   LEU  32           HG       LEU  32  -2.858   0.041   7.443
  258   1HD1  LEU  32          1HD1      LEU  32  -2.338   1.630   9.509
  259   2HD1  LEU  32          2HD1      LEU  32  -2.975   2.838   8.393
  260   3HD1  LEU  32          3HD1      LEU  32  -3.956   1.442   8.837
  261   1HD2  LEU  32          1HD2      LEU  32  -1.756   1.971   5.667
  262   2HD2  LEU  32          2HD2      LEU  32  -3.261   1.061   5.522
  263   3HD2  LEU  32          3HD2      LEU  32  -3.246   2.615   6.357
  264    H    GLU  33           H        GLU  33   0.891  -1.695   7.897
  265    HA   GLU  33           HA       GLU  33   3.448  -0.547   8.294
  266   1HB   GLU  33          1HB       GLU  33   2.508  -2.267   9.790
  267   2HB   GLU  33          2HB       GLU  33   2.587  -3.448   8.490
  268   1HG   GLU  33          1HG       GLU  33   5.020  -3.251   8.453
  269   2HG   GLU  33          2HG       GLU  33   4.942  -2.059   9.750
  270    H    ILE  34           H        ILE  34   2.072  -2.562   5.793
  271    HA   ILE  34           HA       ILE  34   4.451  -3.490   4.608
  272    HB   ILE  34           HB       ILE  34   1.784  -2.899   3.336
  273   1HG1  ILE  34          1HG1      ILE  34   2.999  -5.481   4.339
  274   2HG1  ILE  34          2HG1      ILE  34   1.749  -4.559   5.167
  275   1HG2  ILE  34          1HG2      ILE  34   4.326  -3.917   2.245
  276   2HG2  ILE  34          2HG2      ILE  34   2.882  -4.828   1.801
  277   3HG2  ILE  34          3HG2      ILE  34   2.986  -3.105   1.434
  278   1HD1  ILE  34          1HD1      ILE  34   0.275  -4.906   3.228
  279   2HD1  ILE  34          2HD1      ILE  34   1.521  -5.927   2.509
  280   3HD1  ILE  34          3HD1      ILE  34   0.756  -6.404   4.024
  281    H    LEU  35           H        LEU  35   2.356  -0.751   3.700
  282    HA   LEU  35           HA       LEU  35   4.112   0.359   1.790
  283   1HB   LEU  35          1HB       LEU  35   2.011   1.718   3.491
  284   2HB   LEU  35          2HB       LEU  35   2.776   2.426   2.077
  285    HG   LEU  35           HG       LEU  35   1.093  -0.080   1.994
  286   1HD1  LEU  35          1HD1      LEU  35  -0.034   2.145   2.691
  287   2HD1  LEU  35          2HD1      LEU  35   0.207   2.600   1.003
  288   3HD1  LEU  35          3HD1      LEU  35  -0.759   1.179   1.406
  289   1HD2  LEU  35          1HD2      LEU  35   2.858   1.125   0.132
  290   2HD2  LEU  35          2HD2      LEU  35   1.794  -0.261  -0.103
  291   3HD2  LEU  35          3HD2      LEU  35   1.211   1.368  -0.452
  292    H    HIS  36           H        HIS  36   3.748   0.723   5.239
  293    HA   HIS  36           HA       HIS  36   5.411   2.927   5.680
  294   1HB   HIS  36          1HB       HIS  36   4.232   0.760   7.283
  295   2HB   HIS  36          2HB       HIS  36   5.708   1.428   7.957
  296    HD1  HIS  36           HD1      HIS  36   5.513   4.327   7.656
  297    HD2  HIS  36           HD2      HIS  36   2.146   2.017   8.406
  298    HE1  HIS  36           HE1      HIS  36   3.809   5.914   8.595
  299    HE2  HIS  36           HE2      HIS  36   1.738   4.519   8.926
  300    H    THR  37           H        THR  37   6.145  -0.546   5.697
  301    HA   THR  37           HA       THR  37   8.873  -0.345   6.320
  302    HB   THR  37           HB       THR  37   7.426  -2.458   4.695
  303    HG1  THR  37           HG1      THR  37   7.127  -1.884   7.177
  304   1HG2  THR  37          1HG2      THR  37  10.206  -2.100   5.088
  305   2HG2  THR  37          2HG2      THR  37   9.706  -3.457   6.097
  306   3HG2  THR  37          3HG2      THR  37   9.377  -3.480   4.363
  307    H    TYR  38           H        TYR  38   7.109  -0.155   3.291
  308    HA   TYR  38           HA       TYR  38   9.158  -0.326   1.436
  309   1HB   TYR  38          1HB       TYR  38   6.903  -0.243   0.675
  310   2HB   TYR  38          2HB       TYR  38   6.610   1.289   1.480
  311    HD1  TYR  38           HD1      TYR  38   8.852  -0.152  -1.144
  312    HD2  TYR  38           HD2      TYR  38   6.604   3.193   0.212
  313    HE1  TYR  38           HE1      TYR  38   9.426   1.061  -3.206
  314    HE2  TYR  38           HE2      TYR  38   7.168   4.416  -1.846
  315    HH   TYR  38           HH       TYR  38   9.493   3.939  -3.690
  316    H    GLN  39           H        GLN  39   7.777   2.615   2.850
  317    HA   GLN  39           HA       GLN  39   9.671   4.398   1.806
  318   1HB   GLN  39          1HB       GLN  39   7.879   4.575   4.217
  319   2HB   GLN  39          2HB       GLN  39   8.899   5.906   3.687
  320   1HG   GLN  39          1HG       GLN  39   6.780   4.587   2.010
  321   2HG   GLN  39          2HG       GLN  39   6.584   6.092   2.902
  322   2HE2  GLN  39          2HE2      GLN  39   7.015   7.904   1.882
  323   1HE2  GLN  39          1HE2      GLN  39   7.928   8.055   0.424
  324    H    LYS  40           H        LYS  40   9.562   2.671   4.890
  325    HA   LYS  40           HA       LYS  40  11.705   3.843   6.190
  326   1HB   LYS  40          1HB       LYS  40  10.784   0.964   6.255
  327   2HB   LYS  40          2HB       LYS  40  11.931   1.661   7.390
  328   1HG   LYS  40          1HG       LYS  40   9.113   2.650   7.008
  329   2HG   LYS  40          2HG       LYS  40   9.613   1.508   8.257
  330   1HD   LYS  40          1HD       LYS  40  11.140   3.162   9.175
  331   2HD   LYS  40          2HD       LYS  40  10.694   4.300   7.904
  332   1HE   LYS  40          1HE       LYS  40   9.528   4.816   9.979
  333   2HE   LYS  40          2HE       LYS  40   8.391   4.317   8.728
  334   1HZ   LYS  40          1HZ       LYS  40   8.377   2.092   9.728
  335   2HZ   LYS  40          2HZ       LYS  40   9.398   2.638  10.962
  336   3HZ   LYS  40          3HZ       LYS  40   7.839   3.277  10.810
  337    H    GLU  41           H        GLU  41  11.726   1.143   3.895
  338    HA   GLU  41           HA       GLU  41  14.515   0.666   4.074
  339   1HB   GLU  41          1HB       GLU  41  12.961  -1.047   3.296
  340   2HB   GLU  41          2HB       GLU  41  12.553  -0.065   1.897
  341   1HG   GLU  41          1HG       GLU  41  14.074  -1.813   1.255
  342   2HG   GLU  41          2HG       GLU  41  14.870  -0.249   1.109
  343    H    GLN  42           H        GLN  42  12.538   2.691   1.980
  344    HA   GLN  42           HA       GLN  42  14.564   3.293   0.095
  345   1HB   GLN  42          1HB       GLN  42  12.175   3.590  -0.379
  346   2HB   GLN  42          2HB       GLN  42  12.092   4.872   0.820
  347   1HG   GLN  42          1HG       GLN  42  13.623   6.226  -0.494
  348   2HG   GLN  42          2HG       GLN  42  13.761   4.933  -1.683
  349   2HE2  GLN  42          2HE2      GLN  42  10.660   4.794  -0.686
  350   1HE2  GLN  42          1HE2      GLN  42   9.922   5.829  -1.855
  351    H    LEU  43           H        LEU  43  13.702   4.690   3.182
  352    HA   LEU  43           HA       LEU  43  15.143   7.126   2.895
  353   1HB   LEU  43          1HB       LEU  43  14.314   5.634   5.355
  354   2HB   LEU  43          2HB       LEU  43  14.869   7.296   5.328
  355    HG   LEU  43           HG       LEU  43  12.363   6.278   3.988
  356   1HD1  LEU  43          1HD1      LEU  43  12.851   6.881   6.695
  357   2HD1  LEU  43          2HD1      LEU  43  11.915   8.221   6.033
  358   3HD1  LEU  43          3HD1      LEU  43  11.301   6.572   5.913
  359   1HD2  LEU  43          1HD2      LEU  43  13.877   8.574   3.461
  360   2HD2  LEU  43          2HD2      LEU  43  12.239   8.216   2.913
  361   3HD2  LEU  43          3HD2      LEU  43  12.491   9.115   4.408
  362    H    HIS  44           H        HIS  44  17.291   7.429   2.922
  363    HA   HIS  44           HA       HIS  44  19.080   6.620   4.809
  364   1HB   HIS  44          1HB       HIS  44  20.341   4.775   3.639
  365   2HB   HIS  44          2HB       HIS  44  18.775   4.310   4.294
  366    HD1  HIS  44           HD1      HIS  44  20.466   5.056   1.000
  367    HD2  HIS  44           HD2      HIS  44  16.937   3.428   2.474
  368    HE1  HIS  44           HE1      HIS  44  19.314   4.040  -0.994
  369    HE2  HIS  44           HE2      HIS  44  17.151   3.118  -0.090
  370    H    THR  45           H        THR  45  20.952   7.684   4.536
  371    HA   THR  45           HA       THR  45  21.515   8.755   1.850
  372    HB   THR  45           HB       THR  45  22.540  10.716   2.950
  373    HG1  THR  45           HG1      THR  45  23.077  10.133   4.971
  374   1HG2  THR  45          1HG2      THR  45  19.665  10.108   3.619
  375   2HG2  THR  45          2HG2      THR  45  20.396  11.694   3.861
  376   3HG2  THR  45          3HG2      THR  45  20.290  11.011   2.238
  377    H    LYS  46           H        LYS  46  23.510   8.419   1.037
  378    HA   LYS  46           HA       LYS  46  25.620   7.627   0.786
  379   1HB   LYS  46          1HB       LYS  46  25.716   8.542   3.645
  380   2HB   LYS  46          2HB       LYS  46  27.132   7.894   2.825
  381   1HG   LYS  46          1HG       LYS  46  25.551  10.301   1.939
  382   2HG   LYS  46          2HG       LYS  46  27.074  10.349   2.829
  383   1HD   LYS  46          1HD       LYS  46  28.182   9.180   0.980
  384   2HD   LYS  46          2HD       LYS  46  26.658   9.152   0.090
  385   1HE   LYS  46          1HE       LYS  46  26.627  11.608   0.099
  386   2HE   LYS  46          2HE       LYS  46  28.169  11.616   0.952
  387   1HZ   LYS  46          1HZ       LYS  46  28.864  10.146  -1.093
  388   2HZ   LYS  46          2HZ       LYS  46  27.592  10.971  -1.843
  389   3HZ   LYS  46          3HZ       LYS  46  28.887  11.836  -1.179
  390    H    GLY  47           H        GLY  47  26.171   5.565   0.510
  391   1HA   GLY  47          1HA       GLY  47  25.153   3.571   2.388
  392   2HA   GLY  47          2HA       GLY  47  26.897   3.643   2.182
  393    H    ARG  48           H        ARG  48  27.133   1.629   1.254
  394    HA   ARG  48           HA       ARG  48  26.952   1.404  -1.504
  395   1HB   ARG  48          1HB       ARG  48  27.039  -0.793   0.573
  396   2HB   ARG  48          2HB       ARG  48  27.296  -1.041  -1.149
  397   1HG   ARG  48          1HG       ARG  48  29.251   0.423  -1.067
  398   2HG   ARG  48          2HG       ARG  48  28.993   0.663   0.661
  399   1HD   ARG  48          1HD       ARG  48  29.320  -1.718   1.055
  400   2HD   ARG  48          2HD       ARG  48  29.526  -1.989  -0.676
  401    HE   ARG  48           HE       ARG  48  31.400  -0.080   0.154
  402   1HH1  ARG  48          1HH1      ARG  48  30.690  -3.465   0.577
  403   2HH1  ARG  48          2HH1      ARG  48  32.343  -3.912   0.836
  404   1HH2  ARG  48          1HH2      ARG  48  33.581  -0.661   0.494
  405   2HH2  ARG  48          2HH2      ARG  48  33.985  -2.319   0.791
  406    HA   PRO  49           HA       PRO  49  22.624   0.699  -2.202
  407   1HB   PRO  49          1HB       PRO  49  22.820  -0.446  -4.678
  408   2HB   PRO  49          2HB       PRO  49  22.933   1.294  -4.390
  409   1HG   PRO  49          1HG       PRO  49  25.124  -0.711  -4.762
  410   2HG   PRO  49          2HG       PRO  49  24.974   0.922  -5.441
  411   1HD   PRO  49          1HD       PRO  49  26.547   0.416  -3.322
  412   2HD   PRO  49          2HD       PRO  49  25.644   1.938  -3.467
  413    H    PHE  50           H        PHE  50  21.143  -0.962  -2.115
  414    HA   PHE  50           HA       PHE  50  22.108  -3.719  -2.230
  415   1HB   PHE  50          1HB       PHE  50  22.281  -2.931   0.142
  416   2HB   PHE  50          2HB       PHE  50  20.547  -2.641   0.130
  417    HD1  PHE  50           HD1      PHE  50  22.666  -5.469  -1.079
  418    HD2  PHE  50           HD2      PHE  50  19.486  -4.190   1.441
  419    HE1  PHE  50           HE1      PHE  50  22.281  -7.799  -0.391
  420    HE2  PHE  50           HE2      PHE  50  19.095  -6.516   2.136
  421    HZ   PHE  50           HZ       PHE  50  20.493  -8.326   1.219
  422    H    ARG  51           H        ARG  51  20.219  -5.281  -2.091
  423    HA   ARG  51           HA       ARG  51  18.418  -4.893  -4.082
  424   1HB   ARG  51          1HB       ARG  51  17.970  -6.541  -1.601
  425   2HB   ARG  51          2HB       ARG  51  17.074  -6.708  -3.104
  426   1HG   ARG  51          1HG       ARG  51  19.062  -7.396  -4.260
  427   2HG   ARG  51          2HG       ARG  51  20.031  -7.137  -2.809
  428   1HD   ARG  51          1HD       ARG  51  17.783  -9.128  -3.102
  429   2HD   ARG  51          2HD       ARG  51  19.503  -9.509  -3.145
  430    HE   ARG  51           HE       ARG  51  18.953  -8.164  -0.753
  431   1HH1  ARG  51          1HH1      ARG  51  18.253 -11.203  -2.310
  432   2HH1  ARG  51          2HH1      ARG  51  18.105 -12.077  -0.822
  433   1HH2  ARG  51          1HH2      ARG  51  18.760  -9.310   1.208
  434   2HH2  ARG  51          2HH2      ARG  51  18.390 -11.001   1.176
  435    H    GLY  52           H        GLY  52  18.152  -3.886  -0.821
  436   1HA   GLY  52          1HA       GLY  52  16.388  -1.804  -1.276
  437   2HA   GLY  52          2HA       GLY  52  16.675  -2.537   0.292
  438    H    MET  53           H        MET  53  14.282  -1.589  -1.443
  439    HA   MET  53           HA       MET  53  12.586  -3.863  -1.659
  440   1HB   MET  53          1HB       MET  53  12.649  -3.741   0.730
  441   2HB   MET  53          2HB       MET  53  12.336  -2.019   0.704
  442   1HG   MET  53          1HG       MET  53  10.105  -2.435  -0.210
  443   2HG   MET  53          2HG       MET  53  10.417  -4.169  -0.168
  444   1HE   MET  53          1HE       MET  53   8.107  -3.824   0.729
  445   2HE   MET  53          2HE       MET  53   7.902  -4.243   2.429
  446   3HE   MET  53          3HE       MET  53   7.775  -2.560   1.914
  447    H    SER  54           H        SER  54  10.671  -3.367  -2.729
  448    HA   SER  54           HA       SER  54   9.825  -0.644  -3.057
  449   1HB   SER  54          1HB       SER  54  11.009  -2.218  -5.349
  450   2HB   SER  54          2HB       SER  54  10.063  -0.755  -5.537
  451    HG   SER  54           HG       SER  54  12.128  -0.060  -5.484
  452    H    GLU  55           H        GLU  55   8.575  -1.444  -5.687
  453    HA   GLU  55           HA       GLU  55   6.084  -2.262  -4.720
  454   1HB   GLU  55          1HB       GLU  55   7.185  -2.385  -7.534
  455   2HB   GLU  55          2HB       GLU  55   5.492  -2.603  -7.112
  456   1HG   GLU  55          1HG       GLU  55   5.795  -0.372  -7.898
  457   2HG   GLU  55          2HG       GLU  55   5.482  -0.314  -6.165
  458    H    GLU  56           H        GLU  56   8.793  -4.091  -5.973
  459    HA   GLU  56           HA       GLU  56   7.587  -6.521  -6.520
  460   1HB   GLU  56          1HB       GLU  56   9.795  -7.534  -6.051
  461   2HB   GLU  56          2HB       GLU  56   9.907  -6.102  -7.064
  462   1HG   GLU  56          1HG       GLU  56  10.582  -4.778  -5.131
  463   2HG   GLU  56          2HG       GLU  56  10.460  -6.208  -4.107
  464    H    GLU  57           H        GLU  57   8.784  -5.305  -3.399
  465    HA   GLU  57           HA       GLU  57   7.973  -7.704  -2.016
  466   1HB   GLU  57          1HB       GLU  57   9.949  -6.434  -1.289
  467   2HB   GLU  57          2HB       GLU  57   8.924  -5.053  -0.922
  468   1HG   GLU  57          1HG       GLU  57   9.338  -6.094   1.136
  469   2HG   GLU  57          2HG       GLU  57   7.693  -6.563   0.693
  470    H    VAL  58           H        VAL  58   6.952  -4.290  -1.941
  471    HA   VAL  58           HA       VAL  58   4.906  -4.487  -0.106
  472    HB   VAL  58           HB       VAL  58   4.891  -2.723  -2.557
  473   1HG1  VAL  58          1HG1      VAL  58   2.743  -2.841  -1.352
  474   2HG1  VAL  58          2HG1      VAL  58   3.566  -2.344   0.127
  475   3HG1  VAL  58          3HG1      VAL  58   3.487  -1.244  -1.250
  476   1HG2  VAL  58          1HG2      VAL  58   6.886  -2.801  -0.748
  477   2HG2  VAL  58          2HG2      VAL  58   6.381  -1.333  -1.586
  478   3HG2  VAL  58          3HG2      VAL  58   5.792  -1.666   0.043
  479    H    PHE  59           H        PHE  59   4.753  -5.072  -3.600
  480    HA   PHE  59           HA       PHE  59   1.981  -5.479  -3.774
  481   1HB   PHE  59          1HB       PHE  59   3.419  -5.167  -5.752
  482   2HB   PHE  59          2HB       PHE  59   4.177  -6.726  -5.447
  483    HD1  PHE  59           HD1      PHE  59   0.664  -5.460  -5.650
  484    HD2  PHE  59           HD2      PHE  59   3.520  -8.352  -6.911
  485    HE1  PHE  59           HE1      PHE  59  -1.061  -6.564  -7.012
  486    HE2  PHE  59           HE2      PHE  59   1.800  -9.461  -8.277
  487    HZ   PHE  59           HZ       PHE  59  -0.493  -8.566  -8.329
  488    H    THR  60           H        THR  60   4.636  -7.622  -2.937
  489    HA   THR  60           HA       THR  60   3.098 -10.015  -2.941
  490    HB   THR  60           HB       THR  60   5.721  -9.427  -1.554
  491    HG1  THR  60           HG1      THR  60   6.648 -10.234  -3.415
  492   1HG2  THR  60          1HG2      THR  60   4.005 -11.763  -1.575
  493   2HG2  THR  60          2HG2      THR  60   5.599 -12.120  -2.239
  494   3HG2  THR  60          3HG2      THR  60   5.451 -11.439  -0.619
  495    H    GLU  61           H        GLU  61   4.239  -7.878  -0.333
  496    HA   GLU  61           HA       GLU  61   3.223  -9.293   1.828
  497   1HB   GLU  61          1HB       GLU  61   3.504  -6.300   1.531
  498   2HB   GLU  61          2HB       GLU  61   3.314  -7.160   3.052
  499   1HG   GLU  61          1HG       GLU  61   5.627  -7.466   1.148
  500   2HG   GLU  61          2HG       GLU  61   5.635  -6.513   2.631
  501    H    VAL  62           H        VAL  62   1.694  -6.701  -0.070
  502    HA   VAL  62           HA       VAL  62  -0.739  -6.687   1.371
  503    HB   VAL  62           HB       VAL  62  -0.244  -5.882  -1.505
  504   1HG1  VAL  62          1HG1      VAL  62  -2.608  -5.715   0.278
  505   2HG1  VAL  62          2HG1      VAL  62  -2.269  -4.328  -0.755
  506   3HG1  VAL  62          3HG1      VAL  62  -2.520  -5.920  -1.472
  507   1HG2  VAL  62          1HG2      VAL  62  -0.199  -4.270   1.043
  508   2HG2  VAL  62          2HG2      VAL  62   1.180  -4.645   0.009
  509   3HG2  VAL  62          3HG2      VAL  62  -0.108  -3.596  -0.584
  510    H    ALA  63           H        ALA  63   0.348  -8.419  -1.519
  511    HA   ALA  63           HA       ALA  63  -2.083  -9.646  -2.196
  512   1HB   ALA  63          1HB       ALA  63  -0.536 -11.425  -3.209
  513   2HB   ALA  63          2HB       ALA  63   0.787 -10.399  -2.658
  514   3HB   ALA  63          3HB       ALA  63  -0.392  -9.774  -3.811
  515    H    ASN  64           H        ASN  64   0.468 -10.519   0.049
  516    HA   ASN  64           HA       ASN  64  -0.468 -13.079   0.753
  517   1HB   ASN  64          1HB       ASN  64   1.299 -11.078   2.161
  518   2HB   ASN  64          2HB       ASN  64   0.912 -12.646   2.867
  519   2HD2  ASN  64          2HD2      ASN  64   3.255 -11.087   1.304
  520   1HD2  ASN  64          1HD2      ASN  64   3.962 -12.388   0.414
  521    H    LEU  65           H        LEU  65  -1.159  -9.852   1.965
  522    HA   LEU  65           HA       LEU  65  -2.702 -10.648   4.212
  523   1HB   LEU  65          1HB       LEU  65  -2.034  -8.175   2.784
  524   2HB   LEU  65          2HB       LEU  65  -3.615  -8.162   3.534
  525    HG   LEU  65           HG       LEU  65  -1.040  -8.740   4.994
  526   1HD1  LEU  65          1HD1      LEU  65  -2.066  -6.299   4.040
  527   2HD1  LEU  65          2HD1      LEU  65  -2.363  -6.331   5.779
  528   3HD1  LEU  65          3HD1      LEU  65  -0.726  -6.549   5.160
  529   1HD2  LEU  65          1HD2      LEU  65  -3.919  -8.610   5.777
  530   2HD2  LEU  65          2HD2      LEU  65  -2.667  -9.743   6.285
  531   3HD2  LEU  65          3HD2      LEU  65  -2.684  -8.102   6.930
  532    H    PHE  66           H        PHE  66  -3.754  -8.991   1.265
  533    HA   PHE  66           HA       PHE  66  -6.493  -9.698   1.628
  534   1HB   PHE  66          1HB       PHE  66  -5.084  -8.526  -0.774
  535   2HB   PHE  66          2HB       PHE  66  -6.823  -8.584  -0.543
  536    HD1  PHE  66           HD1      PHE  66  -5.685  -7.961   2.629
  537    HD2  PHE  66           HD2      PHE  66  -5.934  -6.066  -1.179
  538    HE1  PHE  66           HE1      PHE  66  -5.594  -5.760   3.722
  539    HE2  PHE  66           HE2      PHE  66  -5.850  -3.863  -0.087
  540    HZ   PHE  66           HZ       PHE  66  -5.677  -3.707   2.363
  541    H    ARG  67           H        ARG  67  -4.909 -12.069   1.498
  542    HA   ARG  67           HA       ARG  67  -4.989 -13.242  -1.075
  543   1HB   ARG  67          1HB       ARG  67  -3.528 -14.126   0.658
  544   2HB   ARG  67          2HB       ARG  67  -4.914 -14.533   1.659
  545   1HG   ARG  67          1HG       ARG  67  -5.630 -16.203   0.085
  546   2HG   ARG  67          2HG       ARG  67  -4.364 -15.727  -1.049
  547   1HD   ARG  67          1HD       ARG  67  -3.891 -16.849   1.712
  548   2HD   ARG  67          2HD       ARG  67  -3.810 -17.778   0.216
  549    HE   ARG  67           HE       ARG  67  -2.092 -15.572   0.002
  550   1HH1  ARG  67          1HH1      ARG  67  -2.380 -18.568   1.759
  551   2HH1  ARG  67          2HH1      ARG  67  -0.670 -18.770   1.950
  552   1HH2  ARG  67          1HH2      ARG  67   0.163 -15.833   0.249
  553   2HH2  ARG  67          2HH2      ARG  67   0.774 -17.216   1.095
  554    H    GLY  68           H        GLY  68  -6.508 -14.453  -2.094
  555   1HA   GLY  68          1HA       GLY  68  -8.963 -15.169  -0.688
  556   2HA   GLY  68          2HA       GLY  68  -8.499 -15.688  -2.301
  557    H    GLN  69           H        GLN  69  -8.723 -12.410  -0.935
  558    HA   GLN  69           HA       GLN  69 -11.169 -11.779  -2.232
  559   1HB   GLN  69          1HB       GLN  69  -9.009 -10.051  -1.023
  560   2HB   GLN  69          2HB       GLN  69 -10.479  -9.387  -1.719
  561   1HG   GLN  69          1HG       GLN  69 -10.736  -9.516   0.649
  562   2HG   GLN  69          2HG       GLN  69 -11.794 -10.709  -0.098
  563   2HE2  GLN  69          2HE2      GLN  69  -9.491 -10.159   2.247
  564   1HE2  GLN  69          1HE2      GLN  69  -9.111 -11.798   2.640
  565    H    GLU  70           H        GLU  70  -7.896 -10.547  -2.861
  566    HA   GLU  70           HA       GLU  70  -6.823  -9.842  -4.703
  567   1HB   GLU  70          1HB       GLU  70  -8.567 -12.021  -5.579
  568   2HB   GLU  70          2HB       GLU  70  -7.798 -11.076  -6.850
  569   1HG   GLU  70          1HG       GLU  70  -5.615 -11.559  -5.841
  570   2HG   GLU  70          2HG       GLU  70  -6.416 -12.514  -4.596
  571    H    ASP  71           H        ASP  71 -10.204  -9.286  -4.492
  572    HA   ASP  71           HA       ASP  71 -10.642  -7.865  -6.875
  573   1HB   ASP  71          1HB       ASP  71 -12.481  -8.588  -5.434
  574   2HB   ASP  71          2HB       ASP  71 -11.932  -7.490  -4.176
  575    H    LEU  72           H        LEU  72  -9.700  -6.793  -3.646
  576    HA   LEU  72           HA       LEU  72  -9.356  -4.055  -4.332
  577   1HB   LEU  72          1HB       LEU  72  -8.221  -5.686  -2.053
  578   2HB   LEU  72          2HB       LEU  72  -8.157  -3.936  -2.163
  579    HG   LEU  72           HG       LEU  72 -10.766  -5.436  -2.154
  580   1HD1  LEU  72          1HD1      LEU  72  -8.969  -4.716   0.103
  581   2HD1  LEU  72          2HD1      LEU  72 -10.708  -4.514   0.318
  582   3HD1  LEU  72          3HD1      LEU  72 -10.048  -6.099  -0.089
  583   1HD2  LEU  72          1HD2      LEU  72 -10.627  -3.056  -2.958
  584   2HD2  LEU  72          2HD2      LEU  72 -11.711  -3.325  -1.593
  585   3HD2  LEU  72          3HD2      LEU  72 -10.120  -2.609  -1.328
  586    H    LEU  73           H        LEU  73  -7.300  -6.883  -4.246
  587    HA   LEU  73           HA       LEU  73  -4.787  -5.786  -4.465
  588   1HB   LEU  73          1HB       LEU  73  -6.026  -8.290  -4.634
  589   2HB   LEU  73          2HB       LEU  73  -5.134  -8.114  -6.115
  590    HG   LEU  73           HG       LEU  73  -3.663  -9.218  -4.655
  591   1HD1  LEU  73          1HD1      LEU  73  -2.733  -7.158  -5.812
  592   2HD1  LEU  73          2HD1      LEU  73  -2.857  -6.355  -4.244
  593   3HD1  LEU  73          3HD1      LEU  73  -1.823  -7.773  -4.431
  594   1HD2  LEU  73          1HD2      LEU  73  -5.129  -8.595  -2.661
  595   2HD2  LEU  73          2HD2      LEU  73  -3.399  -8.782  -2.382
  596   3HD2  LEU  73          3HD2      LEU  73  -4.099  -7.170  -2.514
  597    H    SER  74           H        SER  74  -7.219  -6.435  -6.921
  598    HA   SER  74           HA       SER  74  -5.730  -6.008  -9.221
  599   1HB   SER  74          1HB       SER  74  -8.034  -6.879  -9.221
  600   2HB   SER  74          2HB       SER  74  -8.631  -5.293  -8.730
  601    HG   SER  74           HG       SER  74  -8.344  -4.558 -10.702
  602    H    GLU  75           H        GLU  75  -7.392  -3.680  -7.131
  603    HA   GLU  75           HA       GLU  75  -6.853  -1.409  -8.753
  604   1HB   GLU  75          1HB       GLU  75  -7.414  -1.551  -5.782
  605   2HB   GLU  75          2HB       GLU  75  -7.504  -0.106  -6.777
  606   1HG   GLU  75          1HG       GLU  75  -9.326  -1.099  -8.063
  607   2HG   GLU  75          2HG       GLU  75  -9.232  -2.552  -7.068
  608    H    PHE  76           H        PHE  76  -5.241  -2.865  -5.967
  609    HA   PHE  76           HA       PHE  76  -3.290  -0.934  -5.507
  610   1HB   PHE  76          1HB       PHE  76  -3.792  -2.883  -4.032
  611   2HB   PHE  76          2HB       PHE  76  -2.986  -3.928  -5.196
  612    HD1  PHE  76           HD1      PHE  76  -2.075  -0.594  -3.784
  613    HD2  PHE  76           HD2      PHE  76  -1.039  -4.696  -4.260
  614    HE1  PHE  76           HE1      PHE  76   0.073  -0.179  -2.662
  615    HE2  PHE  76           HE2      PHE  76   1.112  -4.287  -3.137
  616    HZ   PHE  76           HZ       PHE  76   1.668  -2.024  -2.337
  617    H    GLY  77           H        GLY  77  -3.256  -3.731  -7.678
  618   1HA   GLY  77          1HA       GLY  77  -1.913  -4.271  -9.453
  619   2HA   GLY  77          2HA       GLY  77  -0.607  -3.497  -8.568
  620    H    GLN  78           H        GLN  78  -3.573  -1.974  -9.731
  621    HA   GLN  78           HA       GLN  78  -2.659  -0.921 -12.128
  622   1HB   GLN  78          1HB       GLN  78  -4.569   0.398 -10.190
  623   2HB   GLN  78          2HB       GLN  78  -4.430   0.745 -11.908
  624   1HG   GLN  78          1HG       GLN  78  -5.196  -1.492 -12.445
  625   2HG   GLN  78          2HG       GLN  78  -5.281  -1.890 -10.731
  626   2HE2  GLN  78          2HE2      GLN  78  -7.120  -1.177 -13.268
  627   1HE2  GLN  78          1HE2      GLN  78  -8.451  -0.394 -12.498
  628    H    PHE  79           H        PHE  79  -2.463   0.455  -8.866
  629    HA   PHE  79           HA       PHE  79  -1.221   2.875  -9.644
  630   1HB   PHE  79          1HB       PHE  79  -1.339   1.425  -6.999
  631   2HB   PHE  79          2HB       PHE  79  -0.563   2.991  -7.195
  632    HD1  PHE  79           HD1      PHE  79  -3.789   1.565  -8.449
  633    HD2  PHE  79           HD2      PHE  79  -1.835   4.624  -6.225
  634    HE1  PHE  79           HE1      PHE  79  -5.950   2.680  -8.091
  635    HE2  PHE  79           HE2      PHE  79  -3.996   5.742  -5.862
  636    HZ   PHE  79           HZ       PHE  79  -6.057   4.770  -6.796
  637    H    LEU  80           H        LEU  80   0.068  -0.206  -8.455
  638    HA   LEU  80           HA       LEU  80   2.772   0.595  -8.374
  639   1HB   LEU  80          1HB       LEU  80   1.625  -2.172  -8.754
  640   2HB   LEU  80          2HB       LEU  80   3.279  -1.807  -8.304
  641    HG   LEU  80           HG       LEU  80   0.829  -1.220  -6.638
  642   1HD1  LEU  80          1HD1      LEU  80   2.587  -3.524  -6.881
  643   2HD1  LEU  80          2HD1      LEU  80   2.498  -2.898  -5.235
  644   3HD1  LEU  80          3HD1      LEU  80   1.024  -3.370  -6.080
  645   1HD2  LEU  80          1HD2      LEU  80   2.935   0.325  -6.528
  646   2HD2  LEU  80          2HD2      LEU  80   2.176  -0.248  -5.043
  647   3HD2  LEU  80          3HD2      LEU  80   3.638  -1.029  -5.645
  648    HA   PRO  81           HA       PRO  81   3.702   0.712 -12.726
  649   1HB   PRO  81          1HB       PRO  81   6.498   0.466 -11.925
  650   2HB   PRO  81          2HB       PRO  81   5.686   1.802 -12.739
  651   1HG   PRO  81          1HG       PRO  81   6.526   1.984 -10.186
  652   2HG   PRO  81          2HG       PRO  81   5.064   2.805 -10.761
  653   1HD   PRO  81          1HD       PRO  81   5.323   0.272  -9.186
  654   2HD   PRO  81          2HD       PRO  81   4.152   1.596  -9.009
  655    H    GLU  82           H        GLU  82   4.289  -0.721 -14.337
  656    HA   GLU  82           HA       GLU  82   4.281  -3.469 -13.702
  657   1HB   GLU  82          1HB       GLU  82   4.697  -3.814 -16.106
  658   2HB   GLU  82          2HB       GLU  82   3.417  -2.641 -15.819
  659   1HG   GLU  82          1HG       GLU  82   4.980  -0.820 -16.247
  660   2HG   GLU  82          2HG       GLU  82   6.271  -1.988 -16.520
  661    H    ALA  83           H        ALA  83   6.291  -4.306 -15.692
  662    HA   ALA  83           HA       ALA  83   8.880  -3.483 -14.985
  663   1HB   ALA  83          1HB       ALA  83   7.848  -4.765 -12.872
  664   2HB   ALA  83          2HB       ALA  83   8.494  -6.146 -13.759
  665   3HB   ALA  83          3HB       ALA  83   9.560  -4.822 -13.289
  666    H    LYS  84           H        LYS  84   7.651  -4.067 -17.374
  667    HA   LYS  84           HA       LYS  84   8.051  -6.674 -18.341
  668   1HB   LYS  84          1HB       LYS  84   6.675  -4.971 -19.490
  669   2HB   LYS  84          2HB       LYS  84   8.136  -4.077 -19.887
  670   1HG   LYS  84          1HG       LYS  84   8.935  -6.005 -21.192
  671   2HG   LYS  84          2HG       LYS  84   7.424  -6.845 -20.836
  672   1HD   LYS  84          1HD       LYS  84   7.269  -5.857 -23.025
  673   2HD   LYS  84          2HD       LYS  84   6.195  -4.985 -21.930
  674   1HE   LYS  84          1HE       LYS  84   7.416  -3.441 -23.365
  675   2HE   LYS  84          2HE       LYS  84   7.877  -3.229 -21.675
  676   1HZ   LYS  84          1HZ       LYS  84   9.434  -4.892 -23.571
  677   2HZ   LYS  84          2HZ       LYS  84   9.750  -3.251 -23.317
  678   3HZ   LYS  84          3HZ       LYS  84   9.905  -4.350 -22.040
  679    H    ARG  85           H        ARG  85   9.759  -7.688 -19.291
  680    HA   ARG  85           HA       ARG  85  12.131  -6.362 -20.115
  681   1HB   ARG  85          1HB       ARG  85  13.611  -7.512 -18.377
  682   2HB   ARG  85          2HB       ARG  85  12.714  -6.094 -17.854
  683   1HG   ARG  85          1HG       ARG  85  12.582  -7.718 -16.126
  684   2HG   ARG  85          2HG       ARG  85  10.995  -7.622 -16.890
  685   1HD   ARG  85          1HD       ARG  85  11.570  -9.626 -18.229
  686   2HD   ARG  85          2HD       ARG  85  13.096  -9.739 -17.351
  687    HE   ARG  85           HE       ARG  85  11.952 -10.785 -15.691
  688   1HH1  ARG  85          1HH1      ARG  85   9.706  -8.770 -17.438
  689   2HH1  ARG  85          2HH1      ARG  85   8.341  -9.244 -16.482
  690   1HH2  ARG  85          1HH2      ARG  85  10.159 -11.412 -14.430
  691   2HH2  ARG  85          2HH2      ARG  85   8.599 -10.743 -14.773
  692    H1   ASN   1           H1       ASN   1   3.820   6.247  -6.047
  693    H2   ASN   1           H2       ASN   1   3.299   5.314  -7.360
  694    H3   ASN   1           H3       ASN   1   3.324   7.002  -7.477
  695    HA   ASN   1           HA       ASN   1   1.366   7.250  -6.493
  696   1HB   ASN   1          1HB       ASN   1   1.312   4.260  -6.962
  697   2HB   ASN   1          2HB       ASN   1  -0.109   5.272  -6.719
  698   2HD2  ASN   1          2HD2      ASN   1  -1.095   5.882  -8.493
  699   1HD2  ASN   1          1HD2      ASN   1  -0.375   6.067 -10.052
  700    H    ILE   2           H        ILE   2   3.179   4.625  -5.018
  701    HA   ILE   2           HA       ILE   2   1.696   4.161  -2.728
  702    HB   ILE   2           HB       ILE   2   4.708   4.173  -3.000
  703   1HG1  ILE   2          1HG1      ILE   2   3.592   2.671  -4.584
  704   2HG1  ILE   2          2HG1      ILE   2   4.444   1.749  -3.348
  705   1HG2  ILE   2          1HG2      ILE   2   4.014   4.267  -0.659
  706   2HG2  ILE   2          2HG2      ILE   2   2.974   2.865  -0.907
  707   3HG2  ILE   2          3HG2      ILE   2   4.723   2.701  -1.054
  708   1HD1  ILE   2          1HD1      ILE   2   1.654   2.302  -2.693
  709   2HD1  ILE   2          2HD1      ILE   2   1.876   1.330  -4.147
  710   3HD1  ILE   2          3HD1      ILE   2   2.565   0.796  -2.615
  711    H    GLN   3           H        GLN   3   3.586   6.941  -3.567
  712    HA   GLN   3           HA       GLN   3   4.176   8.008  -1.068
  713   1HB   GLN   3          1HB       GLN   3   5.145   9.140  -2.857
  714   2HB   GLN   3          2HB       GLN   3   3.641   9.202  -3.764
  715   1HG   GLN   3          1HG       GLN   3   4.427  11.393  -2.892
  716   2HG   GLN   3          2HG       GLN   3   2.793  10.950  -2.401
  717   2HE2  GLN   3          2HE2      GLN   3   2.344  11.367  -0.387
  718   1HE2  GLN   3          1HE2      GLN   3   3.460  11.395   0.934
  719    H    MET   4           H        MET   4   1.342   8.744  -3.107
  720    HA   MET   4           HA       MET   4  -0.016  10.015  -0.906
  721   1HB   MET   4          1HB       MET   4  -1.856  10.323  -2.501
  722   2HB   MET   4          2HB       MET   4  -0.323  10.867  -3.166
  723   1HG   MET   4          1HG       MET   4  -0.138   8.810  -4.453
  724   2HG   MET   4          2HG       MET   4  -1.659   8.239  -3.769
  725   1HE   MET   4          1HE       MET   4  -1.562   7.776  -6.257
  726   2HE   MET   4          2HE       MET   4  -3.120   8.392  -6.807
  727   3HE   MET   4          3HE       MET   4  -1.628   8.988  -7.536
  728    H    LEU   5           H        LEU   5   0.076   6.896  -2.404
  729    HA   LEU   5           HA       LEU   5  -2.358   5.804  -1.560
  730   1HB   LEU   5          1HB       LEU   5  -0.445   4.879  -3.106
  731   2HB   LEU   5          2HB       LEU   5   0.173   4.192  -1.616
  732    HG   LEU   5           HG       LEU   5  -1.153   2.590  -2.938
  733   1HD1  LEU   5          1HD1      LEU   5  -1.119   2.904  -0.273
  734   2HD1  LEU   5          2HD1      LEU   5  -2.855   2.969  -0.574
  735   3HD1  LEU   5          3HD1      LEU   5  -1.921   1.568  -1.098
  736   1HD2  LEU   5          1HD2      LEU   5  -2.767   4.530  -3.650
  737   2HD2  LEU   5          2HD2      LEU   5  -3.360   2.876  -3.498
  738   3HD2  LEU   5          3HD2      LEU   5  -3.651   4.040  -2.205
  739    H    LEU   6           H        LEU   6   0.807   5.910   0.010
  740    HA   LEU   6           HA       LEU   6  -0.095   4.622   2.414
  741   1HB   LEU   6          1HB       LEU   6   2.189   4.319   1.763
  742   2HB   LEU   6          2HB       LEU   6   2.449   6.048   1.651
  743    HG   LEU   6           HG       LEU   6   2.241   6.244   4.091
  744   1HD1  LEU   6          1HD1      LEU   6   1.576   3.356   3.860
  745   2HD1  LEU   6          2HD1      LEU   6   2.476   3.906   5.275
  746   3HD1  LEU   6          3HD1      LEU   6   0.893   4.595   4.914
  747   1HD2  LEU   6          1HD2      LEU   6   4.278   4.527   2.791
  748   2HD2  LEU   6          2HD2      LEU   6   4.455   6.080   3.609
  749   3HD2  LEU   6          3HD2      LEU   6   4.277   4.602   4.554
  750    H    GLU   7           H        GLU   7   0.729   7.913   1.424
  751    HA   GLU   7           HA       GLU   7   0.422   9.216   3.864
  752   1HB   GLU   7          1HB       GLU   7   1.392  10.295   1.902
  753   2HB   GLU   7          2HB       GLU   7  -0.154  10.221   1.069
  754   1HG   GLU   7          1HG       GLU   7   0.212  12.448   1.873
  755   2HG   GLU   7          2HG       GLU   7  -1.114  11.717   2.776
  756    H    ALA   8           H        ALA   8  -1.946   8.129   1.542
  757    HA   ALA   8           HA       ALA   8  -4.188   9.558   2.371
  758   1HB   ALA   8          1HB       ALA   8  -3.709   7.033   0.910
  759   2HB   ALA   8          2HB       ALA   8  -4.662   8.446   0.457
  760   3HB   ALA   8          3HB       ALA   8  -5.321   7.264   1.588
  761    H    ALA   9           H        ALA   9  -2.854   6.512   3.576
  762    HA   ALA   9           HA       ALA   9  -4.896   5.770   5.307
  763   1HB   ALA   9          1HB       ALA   9  -1.928   5.312   5.408
  764   2HB   ALA   9          2HB       ALA   9  -3.194   4.201   4.881
  765   3HB   ALA   9          3HB       ALA   9  -3.036   4.612   6.589
  766    H    ASP  10           H        ASP  10  -2.052   7.801   5.962
  767    HA   ASP  10           HA       ASP  10  -2.546   8.255   8.679
  768   1HB   ASP  10          1HB       ASP  10  -0.408   8.783   7.552
  769   2HB   ASP  10          2HB       ASP  10  -1.197  10.103   6.696
  770    H    TYR  11           H        TYR  11  -3.687   9.921   5.798
  771    HA   TYR  11           HA       TYR  11  -4.843  12.161   6.994
  772   1HB   TYR  11          1HB       TYR  11  -4.536  12.040   4.603
  773   2HB   TYR  11          2HB       TYR  11  -5.624  10.659   4.491
  774    HD1  TYR  11           HD1      TYR  11  -5.735  14.131   5.900
  775    HD2  TYR  11           HD2      TYR  11  -7.698  11.114   3.628
  776    HE1  TYR  11           HE1      TYR  11  -7.628  15.655   5.524
  777    HE2  TYR  11           HE2      TYR  11  -9.594  12.632   3.243
  778    HH   TYR  11           HH       TYR  11  -9.483  15.996   4.207
  779    H    LEU  12           H        LEU  12  -6.438   9.116   6.030
  780    HA   LEU  12           HA       LEU  12  -8.960   9.758   7.056
  781   1HB   LEU  12          1HB       LEU  12  -7.653   7.092   6.558
  782   2HB   LEU  12          2HB       LEU  12  -9.333   7.266   7.029
  783    HG   LEU  12           HG       LEU  12  -8.111   8.413   4.512
  784   1HD1  LEU  12          1HD1      LEU  12  -9.558   5.873   5.112
  785   2HD1  LEU  12          2HD1      LEU  12  -9.807   6.660   3.552
  786   3HD1  LEU  12          3HD1      LEU  12  -8.187   6.163   4.042
  787   1HD2  LEU  12          1HD2      LEU  12 -10.944   8.355   5.546
  788   2HD2  LEU  12          2HD2      LEU  12  -9.944   9.776   5.242
  789   3HD2  LEU  12          3HD2      LEU  12 -10.495   8.781   3.894
  790    H    GLU  13           H        GLU  13  -6.336   7.863   8.563
  791    HA   GLU  13           HA       GLU  13  -7.742   7.351  10.959
  792   1HB   GLU  13          1HB       GLU  13  -5.581   6.717  11.897
  793   2HB   GLU  13          2HB       GLU  13  -5.780   6.046  10.284
  794   1HG   GLU  13          1HG       GLU  13  -4.373   7.822   9.372
  795   2HG   GLU  13          2HG       GLU  13  -4.174   8.491  10.991

  No H/Q in entry =         795
  Start of MODEL   13
    1    H1   GLU   1           H1       GLU   1 -12.314  18.692  -0.844
    2    H2   GLU   1           H2       GLU   1 -12.975  19.791   0.257
    3    H3   GLU   1           H3       GLU   1 -13.862  18.430  -0.215
    4    HA   GLU   1           HA       GLU   1 -14.389  19.263  -2.256
    5   1HB   GLU   1          1HB       GLU   1 -14.046  21.686  -0.474
    6   2HB   GLU   1          2HB       GLU   1 -15.075  21.614  -1.899
    7   1HG   GLU   1          1HG       GLU   1 -16.440  19.899  -0.845
    8   2HG   GLU   1          2HG       GLU   1 -15.397  19.931   0.576
    9    H    SER   2           H        SER   2 -11.581  18.876  -2.326
   10    HA   SER   2           HA       SER   2 -10.875  20.410  -4.562
   11   1HB   SER   2          1HB       SER   2  -9.037  21.772  -3.609
   12   2HB   SER   2          2HB       SER   2 -10.610  22.255  -2.972
   13    HG   SER   2           HG       SER   2  -9.138  20.330  -1.575
   14    H    ASP   3           H        ASP   3  -7.965  20.436  -3.764
   15    HA   ASP   3           HA       ASP   3  -6.153  19.074  -3.878
   16   1HB   ASP   3          1HB       ASP   3  -8.007  17.063  -2.586
   17   2HB   ASP   3          2HB       ASP   3  -6.261  16.886  -2.730
   18    H    SER   4           H        SER   4  -5.180  17.533  -5.222
   19    HA   SER   4           HA       SER   4  -6.258  17.098  -7.693
   20   1HB   SER   4          1HB       SER   4  -4.326  15.177  -6.508
   21   2HB   SER   4          2HB       SER   4  -4.392  15.804  -8.137
   22    HG   SER   4           HG       SER   4  -4.039  17.915  -6.768
   23    H    VAL   5           H        VAL   5  -7.266  15.451  -8.711
   24    HA   VAL   5           HA       VAL   5  -9.153  13.943  -7.305
   25    HB   VAL   5           HB       VAL   5  -8.052  13.487 -10.081
   26   1HG1  VAL   5          1HG1      VAL   5  -9.130  11.475  -9.149
   27   2HG1  VAL   5          2HG1      VAL   5 -10.592  12.417  -8.851
   28   3HG1  VAL   5          3HG1      VAL   5 -10.033  12.155 -10.504
   29   1HG2  VAL   5          1HG2      VAL   5  -9.584  15.584  -9.089
   30   2HG2  VAL   5          2HG2      VAL   5  -9.361  15.148 -10.783
   31   3HG2  VAL   5          3HG2      VAL   5 -10.746  14.523  -9.888
   32    H    GLU   6           H        GLU   6  -5.968  13.115  -8.556
   33    HA   GLU   6           HA       GLU   6  -5.989  10.368  -8.089
   34   1HB   GLU   6          1HB       GLU   6  -3.643  12.260  -7.928
   35   2HB   GLU   6          2HB       GLU   6  -3.544  10.514  -8.101
   36   1HG   GLU   6          1HG       GLU   6  -4.672  10.663 -10.262
   37   2HG   GLU   6          2HG       GLU   6  -4.759  12.415 -10.092
   38    H    PHE   7           H        PHE   7  -5.212  13.037  -5.900
   39    HA   PHE   7           HA       PHE   7  -4.158  11.523  -3.789
   40   1HB   PHE   7          1HB       PHE   7  -4.001  13.981  -3.903
   41   2HB   PHE   7          2HB       PHE   7  -5.736  14.102  -3.635
   42    HD1  PHE   7           HD1      PHE   7  -3.336  11.838  -1.923
   43    HD2  PHE   7           HD2      PHE   7  -5.855  15.257  -1.617
   44    HE1  PHE   7           HE1      PHE   7  -2.958  11.897   0.506
   45    HE2  PHE   7           HE2      PHE   7  -5.482  15.317   0.814
   46    HZ   PHE   7           HZ       PHE   7  -4.032  13.637   1.878
   47    H    ASN   8           H        ASN   8  -7.491  12.763  -4.178
   48    HA   ASN   8           HA       ASN   8  -8.546  11.324  -1.990
   49   1HB   ASN   8          1HB       ASN   8  -9.939  13.050  -2.579
   50   2HB   ASN   8          2HB       ASN   8  -9.613  12.869  -4.298
   51   2HD2  ASN   8          2HD2      ASN   8 -11.141  12.066  -5.474
   52   1HD2  ASN   8          1HD2      ASN   8 -12.457  11.107  -4.921
   53    H    ASN   9           H        ASN   9  -7.959  10.653  -5.317
   54    HA   ASN   9           HA       ASN   9  -9.540   8.405  -5.775
   55   1HB   ASN   9          1HB       ASN   9  -8.161   9.712  -7.446
   56   2HB   ASN   9          2HB       ASN   9  -6.748   8.869  -6.844
   57   2HD2  ASN   9          2HD2      ASN   9  -8.369   8.986  -9.391
   58   1HD2  ASN   9          1HD2      ASN   9  -8.503   7.333  -9.831
   59    H    ALA  10           H        ALA  10  -6.311   8.742  -4.389
   60    HA   ALA  10           HA       ALA  10  -5.840   5.962  -4.008
   61   1HB   ALA  10          1HB       ALA  10  -4.312   7.366  -2.129
   62   2HB   ALA  10          2HB       ALA  10  -3.800   6.807  -3.721
   63   3HB   ALA  10          3HB       ALA  10  -4.446   8.436  -3.524
   64    H    ILE  11           H        ILE  11  -7.137   8.563  -2.004
   65    HA   ILE  11           HA       ILE  11  -7.248   7.301   0.463
   66    HB   ILE  11           HB       ILE  11  -9.392   9.115  -0.646
   67   1HG1  ILE  11          1HG1      ILE  11  -7.198  10.164  -0.896
   68   2HG1  ILE  11          2HG1      ILE  11  -8.129  10.970   0.357
   69   1HG2  ILE  11          1HG2      ILE  11  -8.721   8.067   2.045
   70   2HG2  ILE  11          2HG2      ILE  11  -9.321   9.723   1.926
   71   3HG2  ILE  11          3HG2      ILE  11 -10.296   8.385   1.310
   72   1HD1  ILE  11          1HD1      ILE  11  -6.495   8.873   1.466
   73   2HD1  ILE  11          2HD1      ILE  11  -5.530  10.022   0.537
   74   3HD1  ILE  11          3HD1      ILE  11  -6.550  10.591   1.858
   75    H    SER  12           H        SER  12  -9.520   7.170  -2.239
   76    HA   SER  12           HA       SER  12 -11.561   5.719  -1.045
   77   1HB   SER  12          1HB       SER  12 -10.616   5.552  -3.920
   78   2HB   SER  12          2HB       SER  12 -12.193   5.034  -3.323
   79    HG   SER  12           HG       SER  12 -11.742   7.328  -4.258
   80    H    TYR  13           H        TYR  13  -8.534   4.606  -2.481
   81    HA   TYR  13           HA       TYR  13  -9.125   1.848  -2.435
   82   1HB   TYR  13          1HB       TYR  13  -7.263   2.805  -3.733
   83   2HB   TYR  13          2HB       TYR  13  -6.435   3.221  -2.239
   84    HD1  TYR  13           HD1      TYR  13  -8.175   0.120  -3.402
   85    HD2  TYR  13           HD2      TYR  13  -4.576   1.886  -1.980
   86    HE1  TYR  13           HE1      TYR  13  -7.109  -2.096  -3.369
   87    HE2  TYR  13           HE2      TYR  13  -3.498  -0.323  -1.944
   88    HH   TYR  13           HH       TYR  13  -5.241  -3.235  -2.996
   89    H    VAL  14           H        VAL  14  -7.108   3.780  -0.220
   90    HA   VAL  14           HA       VAL  14  -6.695   1.775   1.694
   91    HB   VAL  14           HB       VAL  14  -6.844   4.753   2.200
   92   1HG1  VAL  14          1HG1      VAL  14  -6.322   2.507   3.917
   93   2HG1  VAL  14          2HG1      VAL  14  -4.902   3.548   3.818
   94   3HG1  VAL  14          3HG1      VAL  14  -6.453   4.219   4.321
   95   1HG2  VAL  14          1HG2      VAL  14  -4.717   3.010   1.039
   96   2HG2  VAL  14          2HG2      VAL  14  -5.229   4.629   0.564
   97   3HG2  VAL  14          3HG2      VAL  14  -4.258   4.403   2.020
   98    H    ASN  15           H        ASN  15  -9.178   4.277   1.518
   99    HA   ASN  15           HA       ASN  15 -10.458   3.783   3.951
  100   1HB   ASN  15          1HB       ASN  15 -10.731   5.721   2.294
  101   2HB   ASN  15          2HB       ASN  15 -11.876   4.690   1.465
  102   2HD2  ASN  15          2HD2      ASN  15 -13.702   5.781   1.847
  103   1HD2  ASN  15          1HD2      ASN  15 -14.372   6.048   3.418
  104    H    LYS  16           H        LYS  16 -11.344   2.708   0.694
  105    HA   LYS  16           HA       LYS  16 -13.516   1.108   1.351
  106   1HB   LYS  16          1HB       LYS  16 -12.869   1.677  -0.969
  107   2HB   LYS  16          2HB       LYS  16 -11.483   0.602  -0.837
  108   1HG   LYS  16          1HG       LYS  16 -13.014  -1.295  -0.501
  109   2HG   LYS  16          2HG       LYS  16 -14.382  -0.201  -0.712
  110   1HD   LYS  16          1HD       LYS  16 -13.620   0.325  -2.972
  111   2HD   LYS  16          2HD       LYS  16 -12.231  -0.742  -2.759
  112   1HE   LYS  16          1HE       LYS  16 -13.736  -2.646  -2.478
  113   2HE   LYS  16          2HE       LYS  16 -15.127  -1.583  -2.676
  114   1HZ   LYS  16          1HZ       LYS  16 -13.121  -1.559  -4.795
  115   2HZ   LYS  16          2HZ       LYS  16 -14.091  -2.941  -4.676
  116   3HZ   LYS  16          3HZ       LYS  16 -14.804  -1.424  -4.898
  117    H    ILE  17           H        ILE  17 -10.077   0.390   1.437
  118    HA   ILE  17           HA       ILE  17 -10.293  -2.384   1.939
  119    HB   ILE  17           HB       ILE  17  -8.107  -0.408   2.603
  120   1HG1  ILE  17          1HG1      ILE  17  -8.259  -2.555   0.479
  121   2HG1  ILE  17          2HG1      ILE  17  -8.618  -0.855   0.197
  122   1HG2  ILE  17          1HG2      ILE  17  -8.269  -3.360   3.068
  123   2HG2  ILE  17          2HG2      ILE  17  -6.718  -2.580   2.756
  124   3HG2  ILE  17          3HG2      ILE  17  -7.687  -2.090   4.145
  125   1HD1  ILE  17          1HD1      ILE  17  -6.317  -0.288   0.836
  126   2HD1  ILE  17          2HD1      ILE  17  -5.972  -2.005   1.047
  127   3HD1  ILE  17          3HD1      ILE  17  -6.390  -1.379  -0.548
  128    H    LYS  18           H        LYS  18 -10.285   0.463   3.989
  129    HA   LYS  18           HA       LYS  18 -10.099  -0.857   6.480
  130   1HB   LYS  18          1HB       LYS  18  -9.747   1.618   6.007
  131   2HB   LYS  18          2HB       LYS  18 -11.496   1.765   5.955
  132   1HG   LYS  18          1HG       LYS  18 -11.702   1.130   8.240
  133   2HG   LYS  18          2HG       LYS  18  -9.994   0.697   8.330
  134   1HD   LYS  18          1HD       LYS  18 -10.394   2.859   9.379
  135   2HD   LYS  18          2HD       LYS  18  -9.384   3.037   7.943
  136   1HE   LYS  18          1HE       LYS  18 -11.055   4.791   8.017
  137   2HE   LYS  18          2HE       LYS  18 -11.361   3.712   6.656
  138   1HZ   LYS  18          1HZ       LYS  18 -12.719   3.286   9.238
  139   2HZ   LYS  18          2HZ       LYS  18 -13.316   4.421   8.135
  140   3HZ   LYS  18          3HZ       LYS  18 -13.196   2.791   7.692
  141    H    THR  19           H        THR  19 -12.879   0.316   4.600
  142    HA   THR  19           HA       THR  19 -14.834  -0.627   6.450
  143    HB   THR  19           HB       THR  19 -15.257   1.206   4.791
  144    HG1  THR  19           HG1      THR  19 -16.971  -0.058   5.808
  145   1HG2  THR  19          1HG2      THR  19 -14.404  -0.746   2.941
  146   2HG2  THR  19          2HG2      THR  19 -16.109  -0.445   2.614
  147   3HG2  THR  19          3HG2      THR  19 -14.961   0.893   2.607
  148    H    ARG  20           H        ARG  20 -13.101  -2.037   3.804
  149    HA   ARG  20           HA       ARG  20 -14.839  -4.188   3.240
  150   1HB   ARG  20          1HB       ARG  20 -13.097  -3.631   1.677
  151   2HB   ARG  20          2HB       ARG  20 -11.852  -3.870   2.900
  152   1HG   ARG  20          1HG       ARG  20 -11.974  -5.712   1.277
  153   2HG   ARG  20          2HG       ARG  20 -12.276  -6.241   2.933
  154   1HD   ARG  20          1HD       ARG  20 -13.847  -7.292   1.417
  155   2HD   ARG  20          2HD       ARG  20 -14.684  -6.180   2.501
  156    HE   ARG  20           HE       ARG  20 -14.049  -4.795   0.160
  157   1HH1  ARG  20          1HH1      ARG  20 -16.082  -7.428   1.195
  158   2HH1  ARG  20          2HH1      ARG  20 -17.277  -7.157  -0.028
  159   1HH2  ARG  20          1HH2      ARG  20 -15.620  -4.429  -1.454
  160   2HH2  ARG  20          2HH2      ARG  20 -17.015  -5.453  -1.534
  161    H    PHE  21           H        PHE  21 -11.841  -4.116   5.146
  162    HA   PHE  21           HA       PHE  21 -12.611  -6.602   6.456
  163   1HB   PHE  21          1HB       PHE  21 -10.043  -5.016   6.621
  164   2HB   PHE  21          2HB       PHE  21 -10.326  -6.584   7.364
  165    HD1  PHE  21           HD1      PHE  21 -10.064  -4.838   4.110
  166    HD2  PHE  21           HD2      PHE  21 -10.026  -8.566   6.159
  167    HE1  PHE  21           HE1      PHE  21  -9.263  -5.952   2.066
  168    HE2  PHE  21           HE2      PHE  21  -9.213  -9.684   4.132
  169    HZ   PHE  21           HZ       PHE  21  -8.836  -8.378   2.075
  170    H    LEU  22           H        LEU  22 -14.281  -4.549   7.228
  171    HA   LEU  22           HA       LEU  22 -13.493  -3.021   9.416
  172   1HB   LEU  22          1HB       LEU  22 -16.160  -4.216   8.700
  173   2HB   LEU  22          2HB       LEU  22 -15.944  -3.187  10.101
  174    HG   LEU  22           HG       LEU  22 -15.342  -2.338   7.273
  175   1HD1  LEU  22          1HD1      LEU  22 -17.812  -2.837   8.075
  176   2HD1  LEU  22          2HD1      LEU  22 -17.628  -1.253   8.826
  177   3HD1  LEU  22          3HD1      LEU  22 -17.426  -1.431   7.083
  178   1HD2  LEU  22          1HD2      LEU  22 -14.546  -1.269   9.734
  179   2HD2  LEU  22          2HD2      LEU  22 -14.445  -0.506   8.147
  180   3HD2  LEU  22          3HD2      LEU  22 -15.861  -0.241   9.165
  181    H    ASP  23           H        ASP  23 -14.632  -6.364   9.290
  182    HA   ASP  23           HA       ASP  23 -14.518  -6.693  12.149
  183   1HB   ASP  23          1HB       ASP  23 -14.836  -8.747   9.956
  184   2HB   ASP  23          2HB       ASP  23 -15.060  -9.037  11.677
  185    H    HIS  24           H        HIS  24 -12.383  -6.891   9.506
  186    HA   HIS  24           HA       HIS  24 -10.416  -8.408  11.072
  187   1HB   HIS  24          1HB       HIS  24 -10.575  -7.923   8.089
  188   2HB   HIS  24          2HB       HIS  24  -9.309  -8.817   8.911
  189    HD1  HIS  24           HD1      HIS  24 -11.013 -10.194   6.757
  190    HD2  HIS  24           HD2      HIS  24 -11.781 -10.280  10.819
  191    HE1  HIS  24           HE1      HIS  24 -12.383 -12.274   7.128
  192    HE2  HIS  24           HE2      HIS  24 -12.911 -12.265   9.595
  193    HA   PRO  25           HA       PRO  25  -8.956  -3.950  11.053
  194   1HB   PRO  25          1HB       PRO  25  -7.952  -4.056  13.574
  195   2HB   PRO  25          2HB       PRO  25  -9.617  -3.602  13.208
  196   1HG   PRO  25          1HG       PRO  25  -8.531  -6.258  14.081
  197   2HG   PRO  25          2HG       PRO  25  -9.977  -5.400  14.652
  198   1HD   PRO  25          1HD       PRO  25 -10.164  -7.403  12.884
  199   2HD   PRO  25          2HD       PRO  25 -11.213  -5.974  12.770
  200    H    GLU  26           H        GLU  26  -7.421  -6.913  12.211
  201    HA   GLU  26           HA       GLU  26  -4.775  -6.138  12.288
  202   1HB   GLU  26          1HB       GLU  26  -4.226  -8.509  11.870
  203   2HB   GLU  26          2HB       GLU  26  -5.502  -8.317  13.063
  204   1HG   GLU  26          1HG       GLU  26  -7.175  -8.852  11.372
  205   2HG   GLU  26          2HG       GLU  26  -5.901  -9.030  10.166
  206    H    ILE  27           H        ILE  27  -6.727  -7.011   9.496
  207    HA   ILE  27           HA       ILE  27  -4.647  -7.214   7.598
  208    HB   ILE  27           HB       ILE  27  -7.269  -6.109   6.740
  209   1HG1  ILE  27          1HG1      ILE  27  -7.716  -7.742   8.632
  210   2HG1  ILE  27          2HG1      ILE  27  -8.497  -8.089   7.102
  211   1HG2  ILE  27          1HG2      ILE  27  -5.303  -6.917   5.280
  212   2HG2  ILE  27          2HG2      ILE  27  -5.887  -8.536   5.668
  213   3HG2  ILE  27          3HG2      ILE  27  -6.942  -7.392   4.839
  214   1HD1  ILE  27          1HD1      ILE  27  -5.924  -9.398   7.892
  215   2HD1  ILE  27          2HD1      ILE  27  -7.501 -10.024   8.390
  216   3HD1  ILE  27          3HD1      ILE  27  -7.100  -9.903   6.673
  217    H    TYR  28           H        TYR  28  -6.788  -4.533   8.480
  218    HA   TYR  28           HA       TYR  28  -5.874  -2.616   6.694
  219   1HB   TYR  28          1HB       TYR  28  -7.901  -2.410   8.079
  220   2HB   TYR  28          2HB       TYR  28  -6.891  -2.190   9.497
  221    HD1  TYR  28           HD1      TYR  28  -7.272  -0.729   6.090
  222    HD2  TYR  28           HD2      TYR  28  -6.616  -0.025  10.228
  223    HE1  TYR  28           HE1      TYR  28  -7.259   1.699   5.668
  224    HE2  TYR  28           HE2      TYR  28  -6.602   2.401   9.824
  225    HH   TYR  28           HH       TYR  28  -6.014   3.869   7.474
  226    H    ARG  29           H        ARG  29  -4.840  -3.177  10.049
  227    HA   ARG  29           HA       ARG  29  -2.907  -1.190  10.220
  228   1HB   ARG  29          1HB       ARG  29  -3.036  -3.907  11.531
  229   2HB   ARG  29          2HB       ARG  29  -1.914  -2.644  11.999
  230   1HG   ARG  29          1HG       ARG  29  -4.910  -2.382  12.070
  231   2HG   ARG  29          2HG       ARG  29  -3.901  -2.796  13.455
  232   1HD   ARG  29          1HD       ARG  29  -2.713  -0.657  13.208
  233   2HD   ARG  29          2HD       ARG  29  -3.757  -0.246  11.848
  234    HE   ARG  29           HE       ARG  29  -5.279   0.477  13.370
  235   1HH1  ARG  29          1HH1      ARG  29  -3.321  -1.975  14.892
  236   2HH1  ARG  29          2HH1      ARG  29  -4.134  -1.858  16.417
  237   1HH2  ARG  29          1HH2      ARG  29  -6.350   0.636  15.378
  238   2HH2  ARG  29          2HH2      ARG  29  -5.852  -0.375  16.694
  239    H    SER  30           H        SER  30  -2.441  -4.627   9.445
  240    HA   SER  30           HA       SER  30   0.280  -4.604   8.994
  241   1HB   SER  30          1HB       SER  30  -1.818  -6.259   7.575
  242   2HB   SER  30          2HB       SER  30  -0.089  -6.608   7.589
  243    HG   SER  30           HG       SER  30  -1.351  -6.255  10.049
  244    H    PHE  31           H        PHE  31  -2.293  -4.059   6.581
  245    HA   PHE  31           HA       PHE  31  -0.708  -3.734   4.333
  246   1HB   PHE  31          1HB       PHE  31  -3.082  -3.839   4.071
  247   2HB   PHE  31          2HB       PHE  31  -3.322  -2.424   5.095
  248    HD1  PHE  31           HD1      PHE  31  -1.587  -3.409   1.945
  249    HD2  PHE  31           HD2      PHE  31  -3.717  -0.403   4.081
  250    HE1  PHE  31           HE1      PHE  31  -1.547  -1.968  -0.051
  251    HE2  PHE  31           HE2      PHE  31  -3.686   1.040   2.086
  252    HZ   PHE  31           HZ       PHE  31  -2.600   0.257   0.017
  253    H    LEU  32           H        LEU  32  -1.788  -1.238   6.622
  254    HA   LEU  32           HA       LEU  32  -0.543   0.942   5.407
  255   1HB   LEU  32          1HB       LEU  32  -0.967   0.541   8.366
  256   2HB   LEU  32          2HB       LEU  32  -0.786   2.071   7.535
  257    HG   LEU  32           HG       LEU  32  -3.108   0.162   7.334
  258   1HD1  LEU  32          1HD1      LEU  32  -2.733   1.861   9.295
  259   2HD1  LEU  32          2HD1      LEU  32  -3.317   3.024   8.104
  260   3HD1  LEU  32          3HD1      LEU  32  -4.323   1.651   8.562
  261   1HD2  LEU  32          1HD2      LEU  32  -2.155   2.148   5.465
  262   2HD2  LEU  32          2HD2      LEU  32  -3.443   0.956   5.288
  263   3HD2  LEU  32          3HD2      LEU  32  -3.781   2.516   6.040
  264    H    GLU  33           H        GLU  33   0.658  -1.411   7.733
  265    HA   GLU  33           HA       GLU  33   3.173  -0.179   8.189
  266   1HB   GLU  33          1HB       GLU  33   2.240  -1.875   9.707
  267   2HB   GLU  33          2HB       GLU  33   2.363  -3.088   8.441
  268   1HG   GLU  33          1HG       GLU  33   4.177  -3.365   9.977
  269   2HG   GLU  33          2HG       GLU  33   4.810  -2.789   8.437
  270    H    ILE  34           H        ILE  34   1.914  -2.278   5.698
  271    HA   ILE  34           HA       ILE  34   4.326  -3.223   4.615
  272    HB   ILE  34           HB       ILE  34   1.705  -2.645   3.253
  273   1HG1  ILE  34          1HG1      ILE  34   2.908  -5.220   4.282
  274   2HG1  ILE  34          2HG1      ILE  34   1.635  -4.304   5.082
  275   1HG2  ILE  34          1HG2      ILE  34   3.560  -2.692   1.648
  276   2HG2  ILE  34          2HG2      ILE  34   4.045  -4.273   2.264
  277   3HG2  ILE  34          3HG2      ILE  34   2.492  -4.082   1.452
  278   1HD1  ILE  34          1HD1      ILE  34   1.331  -5.326   2.295
  279   2HD1  ILE  34          2HD1      ILE  34   0.954  -6.314   3.705
  280   3HD1  ILE  34          3HD1      ILE  34   0.083  -4.808   3.427
  281    H    LEU  35           H        LEU  35   2.266  -0.547   3.471
  282    HA   LEU  35           HA       LEU  35   4.123   0.476   1.621
  283   1HB   LEU  35          1HB       LEU  35   1.935   1.930   3.119
  284   2HB   LEU  35          2HB       LEU  35   2.766   2.541   1.698
  285    HG   LEU  35           HG       LEU  35   1.059   0.048   1.744
  286   1HD1  LEU  35          1HD1      LEU  35   0.453   2.896   1.045
  287   2HD1  LEU  35          2HD1      LEU  35  -0.422   1.568   0.284
  288   3HD1  LEU  35          3HD1      LEU  35  -0.473   1.769   2.036
  289   1HD2  LEU  35          1HD2      LEU  35   3.035   0.665  -0.017
  290   2HD2  LEU  35          2HD2      LEU  35   1.611  -0.301  -0.408
  291   3HD2  LEU  35          3HD2      LEU  35   1.639   1.422  -0.784
  292    H    HIS  36           H        HIS  36   3.552   1.101   5.022
  293    HA   HIS  36           HA       HIS  36   5.263   3.289   5.387
  294   1HB   HIS  36          1HB       HIS  36   3.808   1.405   7.046
  295   2HB   HIS  36          2HB       HIS  36   5.372   1.784   7.752
  296    HD1  HIS  36           HD1      HIS  36   5.743   4.667   7.460
  297    HD2  HIS  36           HD2      HIS  36   1.974   3.046   8.101
  298    HE1  HIS  36           HE1      HIS  36   4.357   6.542   8.404
  299    HE2  HIS  36           HE2      HIS  36   2.095   5.522   8.843
  300    H    THR  37           H        THR  37   5.838  -0.191   5.526
  301    HA   THR  37           HA       THR  37   8.509  -0.142   6.383
  302    HB   THR  37           HB       THR  37   7.089  -2.165   4.635
  303    HG1  THR  37           HG1      THR  37   7.666  -2.974   7.139
  304   1HG2  THR  37          1HG2      THR  37   9.761  -2.014   4.800
  305   2HG2  THR  37          2HG2      THR  37   9.439  -2.939   6.266
  306   3HG2  THR  37          3HG2      THR  37   8.895  -3.548   4.701
  307    H    TYR  38           H        TYR  38   7.044   0.068   3.194
  308    HA   TYR  38           HA       TYR  38   9.286  -0.174   1.584
  309   1HB   TYR  38          1HB       TYR  38   7.102  -0.108   0.604
  310   2HB   TYR  38          2HB       TYR  38   6.786   1.489   1.268
  311    HD1  TYR  38           HD1      TYR  38   9.303  -0.186  -0.930
  312    HD2  TYR  38           HD2      TYR  38   6.947   3.267  -0.162
  313    HE1  TYR  38           HE1      TYR  38  10.166   0.847  -2.987
  314    HE2  TYR  38           HE2      TYR  38   7.803   4.317  -2.216
  315    HH   TYR  38           HH       TYR  38  10.474   3.152  -3.900
  316    H    GLN  39           H        GLN  39   7.773   2.836   2.714
  317    HA   GLN  39           HA       GLN  39   9.716   4.591   1.795
  318   1HB   GLN  39          1HB       GLN  39   7.751   4.754   4.048
  319   2HB   GLN  39          2HB       GLN  39   8.898   6.058   3.764
  320   1HG   GLN  39          1HG       GLN  39   6.969   5.005   1.713
  321   2HG   GLN  39          2HG       GLN  39   6.703   6.431   2.714
  322   2HE2  GLN  39          2HE2      GLN  39   7.283   8.297   1.889
  323   1HE2  GLN  39          1HE2      GLN  39   8.422   8.538   0.613
  324    H    LYS  40           H        LYS  40   9.622   2.795   4.844
  325    HA   LYS  40           HA       LYS  40  11.581   4.032   6.301
  326   1HB   LYS  40          1HB       LYS  40  11.174   1.050   6.020
  327   2HB   LYS  40          2HB       LYS  40  12.080   1.830   7.307
  328   1HG   LYS  40          1HG       LYS  40  10.041   2.972   8.040
  329   2HG   LYS  40          2HG       LYS  40   9.139   2.158   6.762
  330   1HD   LYS  40          1HD       LYS  40   9.816  -0.021   7.759
  331   2HD   LYS  40          2HD       LYS  40  10.551   0.869   9.094
  332   1HE   LYS  40          1HE       LYS  40   7.641   0.914   8.302
  333   2HE   LYS  40          2HE       LYS  40   8.328   0.085   9.698
  334   1HZ   LYS  40          1HZ       LYS  40   9.189   2.654   9.966
  335   2HZ   LYS  40          2HZ       LYS  40   7.611   2.837   9.389
  336   3HZ   LYS  40          3HZ       LYS  40   7.897   1.951  10.801
  337    H    GLU  41           H        GLU  41  12.040   1.701   3.679
  338    HA   GLU  41           HA       GLU  41  14.874   1.607   3.904
  339   1HB   GLU  41          1HB       GLU  41  13.589  -0.193   2.845
  340   2HB   GLU  41          2HB       GLU  41  13.079   0.908   1.573
  341   1HG   GLU  41          1HG       GLU  41  14.837  -0.476   0.740
  342   2HG   GLU  41          2HG       GLU  41  15.441   1.170   0.905
  343    H    GLN  42           H        GLN  42  12.655   3.368   1.763
  344    HA   GLN  42           HA       GLN  42  14.757   4.700   0.362
  345   1HB   GLN  42          1HB       GLN  42  11.793   4.742   0.350
  346   2HB   GLN  42          2HB       GLN  42  12.634   6.112  -0.321
  347   1HG   GLN  42          1HG       GLN  42  12.172   4.672  -2.120
  348   2HG   GLN  42          2HG       GLN  42  13.895   4.530  -1.787
  349   2HE2  GLN  42          2HE2      GLN  42  12.055   3.013   0.577
  350   1HE2  GLN  42          1HE2      GLN  42  12.176   1.404  -0.011
  351    H    LEU  43           H        LEU  43  14.335   5.076   3.396
  352    HA   LEU  43           HA       LEU  43  13.714   7.870   3.648
  353   1HB   LEU  43          1HB       LEU  43  14.854   5.878   5.588
  354   2HB   LEU  43          2HB       LEU  43  14.560   7.554   6.003
  355    HG   LEU  43           HG       LEU  43  12.471   5.543   5.167
  356   1HD1  LEU  43          1HD1      LEU  43  13.516   6.465   7.766
  357   2HD1  LEU  43          2HD1      LEU  43  11.761   6.353   7.627
  358   3HD1  LEU  43          3HD1      LEU  43  12.763   4.934   7.320
  359   1HD2  LEU  43          1HD2      LEU  43  11.920   7.795   4.394
  360   2HD2  LEU  43          2HD2      LEU  43  10.849   7.284   5.699
  361   3HD2  LEU  43          3HD2      LEU  43  12.160   8.415   6.028
  362    H    HIS  44           H        HIS  44  15.879   7.169   1.831
  363    HA   HIS  44           HA       HIS  44  18.023   8.770   3.050
  364   1HB   HIS  44          1HB       HIS  44  18.303   6.335   1.272
  365   2HB   HIS  44          2HB       HIS  44  19.626   7.438   1.618
  366    HD1  HIS  44           HD1      HIS  44  20.300   4.754   2.421
  367    HD2  HIS  44           HD2      HIS  44  18.008   7.162   4.913
  368    HE1  HIS  44           HE1      HIS  44  20.565   3.783   4.724
  369    HE2  HIS  44           HE2      HIS  44  19.232   5.301   6.227
  370    H    THR  45           H        THR  45  19.124   8.038   0.108
  371    HA   THR  45           HA       THR  45  17.491   9.907  -1.414
  372    HB   THR  45           HB       THR  45  19.473  11.190  -2.170
  373    HG1  THR  45           HG1      THR  45  21.293  10.907  -0.470
  374   1HG2  THR  45          1HG2      THR  45  18.969  11.220   0.807
  375   2HG2  THR  45          2HG2      THR  45  19.815  12.488  -0.080
  376   3HG2  THR  45          3HG2      THR  45  18.117  12.157  -0.422
  377    H    LYS  46           H        LYS  46  17.768   7.136  -1.621
  378    HA   LYS  46           HA       LYS  46  18.709   6.904  -4.355
  379   1HB   LYS  46          1HB       LYS  46  19.830   5.205  -2.118
  380   2HB   LYS  46          2HB       LYS  46  20.000   4.818  -3.823
  381   1HG   LYS  46          1HG       LYS  46  21.041   7.325  -2.520
  382   2HG   LYS  46          2HG       LYS  46  22.000   5.882  -2.854
  383   1HD   LYS  46          1HD       LYS  46  21.526   6.133  -5.247
  384   2HD   LYS  46          2HD       LYS  46  20.580   7.582  -4.905
  385   1HE   LYS  46          1HE       LYS  46  22.571   8.672  -4.002
  386   2HE   LYS  46          2HE       LYS  46  23.517   7.219  -4.314
  387   1HZ   LYS  46          1HZ       LYS  46  22.101   8.238  -6.615
  388   2HZ   LYS  46          2HZ       LYS  46  23.286   9.287  -6.013
  389   3HZ   LYS  46          3HZ       LYS  46  23.703   7.714  -6.474
  390    H    GLY  47           H        GLY  47  17.710   5.243  -5.491
  391   1HA   GLY  47          1HA       GLY  47  15.184   4.531  -5.131
  392   2HA   GLY  47          2HA       GLY  47  15.971   3.400  -4.040
  393    H    ARG  48           H        ARG  48  18.324   3.080  -5.682
  394    HA   ARG  48           HA       ARG  48  17.453   2.051  -8.231
  395   1HB   ARG  48          1HB       ARG  48  20.123   1.806  -6.834
  396   2HB   ARG  48          2HB       ARG  48  19.799   1.392  -8.511
  397   1HG   ARG  48          1HG       ARG  48  19.264   3.719  -8.994
  398   2HG   ARG  48          2HG       ARG  48  19.567   4.140  -7.308
  399   1HD   ARG  48          1HD       ARG  48  21.494   4.687  -8.678
  400   2HD   ARG  48          2HD       ARG  48  21.887   3.393  -7.548
  401    HE   ARG  48           HE       ARG  48  21.076   2.224  -9.948
  402   1HH1  ARG  48          1HH1      ARG  48  23.682   4.187  -8.724
  403   2HH1  ARG  48          2HH1      ARG  48  24.844   3.575  -9.853
  404   1HH2  ARG  48          1HH2      ARG  48  22.598   1.413 -11.436
  405   2HH2  ARG  48          2HH2      ARG  48  24.229   1.996 -11.393
  406    HA   PRO  49           HA       PRO  49  16.364  -2.064  -7.095
  407   1HB   PRO  49          1HB       PRO  49  17.569  -3.433  -9.187
  408   2HB   PRO  49          2HB       PRO  49  15.975  -2.673  -9.255
  409   1HG   PRO  49          1HG       PRO  49  18.611  -1.640 -10.212
  410   2HG   PRO  49          2HG       PRO  49  17.013  -1.510 -10.971
  411   1HD   PRO  49          1HD       PRO  49  18.102   0.558  -9.676
  412   2HD   PRO  49          2HD       PRO  49  16.359   0.230  -9.573
  413    H    PHE  50           H        PHE  50  17.232  -3.430  -5.669
  414    HA   PHE  50           HA       PHE  50  19.797  -4.611  -5.906
  415   1HB   PHE  50          1HB       PHE  50  20.158  -2.105  -5.138
  416   2HB   PHE  50          2HB       PHE  50  19.704  -2.750  -3.566
  417    HD1  PHE  50           HD1      PHE  50  21.822  -4.037  -6.358
  418    HD2  PHE  50           HD2      PHE  50  21.554  -3.006  -2.238
  419    HE1  PHE  50           HE1      PHE  50  24.136  -4.802  -6.022
  420    HE2  PHE  50           HE2      PHE  50  23.870  -3.766  -1.895
  421    HZ   PHE  50           HZ       PHE  50  25.163  -4.666  -3.787
  422    H    ARG  51           H        ARG  51  20.370  -5.171  -3.294
  423    HA   ARG  51           HA       ARG  51  18.383  -7.112  -2.664
  424   1HB   ARG  51          1HB       ARG  51  20.851  -7.340  -2.262
  425   2HB   ARG  51          2HB       ARG  51  20.684  -6.211  -0.929
  426   1HG   ARG  51          1HG       ARG  51  19.139  -7.763   0.166
  427   2HG   ARG  51          2HG       ARG  51  19.366  -8.895  -1.170
  428   1HD   ARG  51          1HD       ARG  51  20.769  -9.503   0.727
  429   2HD   ARG  51          2HD       ARG  51  21.751  -9.028  -0.659
  430    HE   ARG  51           HE       ARG  51  21.335  -6.782   0.968
  431   1HH1  ARG  51          1HH1      ARG  51  23.023  -9.831   1.006
  432   2HH1  ARG  51          2HH1      ARG  51  24.271  -9.273   2.070
  433   1HH2  ARG  51          1HH2      ARG  51  22.977  -6.040   2.367
  434   2HH2  ARG  51          2HH2      ARG  51  24.246  -7.118   2.840
  435    H    GLY  52           H        GLY  52  18.027  -4.007  -2.390
  436   1HA   GLY  52          1HA       GLY  52  16.964  -2.531  -0.981
  437   2HA   GLY  52          2HA       GLY  52  17.285  -3.630   0.350
  438    H    MET  53           H        MET  53  14.903  -2.139  -1.095
  439    HA   MET  53           HA       MET  53  12.998  -4.286  -1.367
  440   1HB   MET  53          1HB       MET  53  13.100  -4.078   1.031
  441   2HB   MET  53          2HB       MET  53  12.904  -2.338   0.926
  442   1HG   MET  53          1HG       MET  53  10.655  -2.619   0.048
  443   2HG   MET  53          2HG       MET  53  10.839  -4.369   0.104
  444   1HE   MET  53          1HE       MET  53   8.577  -4.017   1.026
  445   2HE   MET  53          2HE       MET  53   8.328  -4.231   2.758
  446   3HE   MET  53          3HE       MET  53   8.301  -2.612   2.057
  447    H    SER  54           H        SER  54  11.031  -3.621  -2.300
  448    HA   SER  54           HA       SER  54  10.410  -0.867  -2.714
  449   1HB   SER  54          1HB       SER  54  10.690  -0.839  -5.167
  450   2HB   SER  54          2HB       SER  54  12.231  -1.053  -4.337
  451    HG   SER  54           HG       SER  54  12.189  -2.553  -5.946
  452    H    GLU  55           H        GLU  55   9.204  -1.671  -5.410
  453    HA   GLU  55           HA       GLU  55   6.625  -2.251  -4.495
  454   1HB   GLU  55          1HB       GLU  55   7.773  -2.593  -7.267
  455   2HB   GLU  55          2HB       GLU  55   6.061  -2.570  -6.870
  456   1HG   GLU  55          1HG       GLU  55   7.970  -0.290  -6.410
  457   2HG   GLU  55          2HG       GLU  55   6.875  -0.437  -7.784
  458    H    GLU  56           H        GLU  56   9.223  -4.352  -5.526
  459    HA   GLU  56           HA       GLU  56   7.830  -6.667  -6.127
  460   1HB   GLU  56          1HB       GLU  56   9.893  -7.880  -5.500
  461   2HB   GLU  56          2HB       GLU  56  10.203  -6.488  -6.526
  462   1HG   GLU  56          1HG       GLU  56  10.891  -5.195  -4.581
  463   2HG   GLU  56          2HG       GLU  56  10.560  -6.578  -3.539
  464    H    GLU  57           H        GLU  57   9.068  -5.674  -2.921
  465    HA   GLU  57           HA       GLU  57   7.946  -7.943  -1.601
  466   1HB   GLU  57          1HB       GLU  57   9.888  -6.749  -0.690
  467   2HB   GLU  57          2HB       GLU  57   8.896  -5.318  -0.444
  468   1HG   GLU  57          1HG       GLU  57   9.080  -6.372   1.658
  469   2HG   GLU  57          2HG       GLU  57   7.448  -6.705   1.071
  470    H    VAL  58           H        VAL  58   7.034  -4.510  -1.737
  471    HA   VAL  58           HA       VAL  58   4.833  -4.557  -0.078
  472    HB   VAL  58           HB       VAL  58   5.127  -2.938  -2.612
  473   1HG1  VAL  58          1HG1      VAL  58   2.874  -3.185  -1.152
  474   2HG1  VAL  58          2HG1      VAL  58   3.663  -1.859  -0.296
  475   3HG1  VAL  58          3HG1      VAL  58   3.327  -1.719  -2.022
  476   1HG2  VAL  58          1HG2      VAL  58   6.432  -2.807   0.000
  477   2HG2  VAL  58          2HG2      VAL  58   6.894  -2.078  -1.538
  478   3HG2  VAL  58          3HG2      VAL  58   5.702  -1.284  -0.509
  479    H    PHE  59           H        PHE  59   5.007  -5.410  -3.505
  480    HA   PHE  59           HA       PHE  59   2.261  -5.725  -3.963
  481   1HB   PHE  59          1HB       PHE  59   3.891  -5.654  -5.789
  482   2HB   PHE  59          2HB       PHE  59   4.589  -7.176  -5.245
  483    HD1  PHE  59           HD1      PHE  59   1.046  -6.106  -5.722
  484    HD2  PHE  59           HD2      PHE  59   4.173  -8.761  -6.856
  485    HE1  PHE  59           HE1      PHE  59  -0.527  -7.339  -7.156
  486    HE2  PHE  59           HE2      PHE  59   2.606  -9.999  -8.292
  487    HZ   PHE  59           HZ       PHE  59   0.253  -9.288  -8.444
  488    H    THR  60           H        THR  60   4.695  -7.956  -2.718
  489    HA   THR  60           HA       THR  60   2.950 -10.222  -2.619
  490    HB   THR  60           HB       THR  60   5.596  -9.693  -1.259
  491    HG1  THR  60           HG1      THR  60   5.286 -10.040  -3.687
  492   1HG2  THR  60          1HG2      THR  60   4.218 -11.325   0.003
  493   2HG2  THR  60          2HG2      THR  60   4.092 -12.305  -1.459
  494   3HG2  THR  60          3HG2      THR  60   5.664 -12.049  -0.703
  495    H    GLU  61           H        GLU  61   4.120  -7.904  -0.229
  496    HA   GLU  61           HA       GLU  61   3.002  -9.009   2.046
  497   1HB   GLU  61          1HB       GLU  61   3.471  -6.099   1.399
  498   2HB   GLU  61          2HB       GLU  61   3.150  -6.734   3.005
  499   1HG   GLU  61          1HG       GLU  61   5.516  -7.468   1.297
  500   2HG   GLU  61          2HG       GLU  61   5.531  -6.287   2.605
  501    H    VAL  62           H        VAL  62   1.636  -6.598  -0.172
  502    HA   VAL  62           HA       VAL  62  -0.834  -6.382   1.229
  503    HB   VAL  62           HB       VAL  62  -0.214  -5.632  -1.632
  504   1HG1  VAL  62          1HG1      VAL  62  -2.671  -5.777  -0.351
  505   2HG1  VAL  62          2HG1      VAL  62  -2.232  -4.070  -0.264
  506   3HG1  VAL  62          3HG1      VAL  62  -2.304  -4.884  -1.827
  507   1HG2  VAL  62          1HG2      VAL  62   1.183  -4.588   0.243
  508   2HG2  VAL  62          2HG2      VAL  62   0.379  -3.493  -0.881
  509   3HG2  VAL  62          3HG2      VAL  62  -0.303  -3.768   0.722
  510    H    ALA  63           H        ALA  63   0.216  -8.179  -1.646
  511    HA   ALA  63           HA       ALA  63  -2.295  -9.216  -2.356
  512   1HB   ALA  63          1HB       ALA  63  -1.151 -10.687  -3.794
  513   2HB   ALA  63          2HB       ALA  63   0.307 -10.650  -2.801
  514   3HB   ALA  63          3HB       ALA  63  -0.164  -9.226  -3.730
  515    H    ASN  64           H        ASN  64   0.254 -10.522  -0.275
  516    HA   ASN  64           HA       ASN  64  -1.016 -12.978   0.277
  517   1HB   ASN  64          1HB       ASN  64   0.739 -13.386   1.731
  518   2HB   ASN  64          2HB       ASN  64   1.454 -12.155   0.697
  519   2HD2  ASN  64          2HD2      ASN  64   2.662 -10.836   1.806
  520   1HD2  ASN  64          1HD2      ASN  64   2.321 -10.226   3.385
  521    H    LEU  65           H        LEU  65  -1.078  -9.834   1.852
  522    HA   LEU  65           HA       LEU  65  -2.571 -10.502   4.132
  523   1HB   LEU  65          1HB       LEU  65  -1.756  -8.117   2.702
  524   2HB   LEU  65          2HB       LEU  65  -3.362  -7.947   3.372
  525    HG   LEU  65           HG       LEU  65  -0.881  -8.637   4.941
  526   1HD1  LEU  65          1HD1      LEU  65  -1.778  -6.204   3.904
  527   2HD1  LEU  65          2HD1      LEU  65  -2.208  -6.181   5.617
  528   3HD1  LEU  65          3HD1      LEU  65  -0.534  -6.453   5.131
  529   1HD2  LEU  65          1HD2      LEU  65  -3.747  -8.170   5.764
  530   2HD2  LEU  65          2HD2      LEU  65  -2.783  -9.627   6.007
  531   3HD2  LEU  65          3HD2      LEU  65  -2.386  -8.152   6.887
  532    H    PHE  66           H        PHE  66  -3.665  -8.906   1.177
  533    HA   PHE  66           HA       PHE  66  -6.434  -9.268   1.727
  534   1HB   PHE  66          1HB       PHE  66  -5.020  -8.493  -0.830
  535   2HB   PHE  66          2HB       PHE  66  -6.752  -8.372  -0.560
  536    HD1  PHE  66           HD1      PHE  66  -5.310  -7.548   2.488
  537    HD2  PHE  66           HD2      PHE  66  -5.831  -6.005  -1.449
  538    HE1  PHE  66           HE1      PHE  66  -4.991  -5.265   3.344
  539    HE2  PHE  66           HE2      PHE  66  -5.518  -3.719  -0.593
  540    HZ   PHE  66           HZ       PHE  66  -5.097  -3.347   1.803
  541    H    ARG  67           H        ARG  67  -5.110 -11.802   1.767
  542    HA   ARG  67           HA       ARG  67  -5.376 -13.245  -0.620
  543   1HB   ARG  67          1HB       ARG  67  -4.125 -14.117   1.286
  544   2HB   ARG  67          2HB       ARG  67  -5.601 -14.196   2.244
  545   1HG   ARG  67          1HG       ARG  67  -6.500 -15.862   0.652
  546   2HG   ARG  67          2HG       ARG  67  -4.958 -15.826  -0.206
  547   1HD   ARG  67          1HD       ARG  67  -5.344 -16.592   2.687
  548   2HD   ARG  67          2HD       ARG  67  -5.102 -17.719   1.353
  549    HE   ARG  67           HE       ARG  67  -3.090 -16.344   2.765
  550   1HH1  ARG  67          1HH1      ARG  67  -3.951 -17.303  -0.475
  551   2HH1  ARG  67          2HH1      ARG  67  -2.313 -17.335  -1.037
  552   1HH2  ARG  67          1HH2      ARG  67  -0.935 -16.382   2.032
  553   2HH2  ARG  67          2HH2      ARG  67  -0.600 -16.812   0.388
  554    H    GLY  68           H        GLY  68  -7.090 -13.970  -1.701
  555   1HA   GLY  68          1HA       GLY  68  -9.624 -14.387  -0.308
  556   2HA   GLY  68          2HA       GLY  68  -9.251 -14.879  -1.955
  557    H    GLN  69           H        GLN  69  -8.893 -11.696  -0.418
  558    HA   GLN  69           HA       GLN  69 -11.128 -10.637  -1.945
  559   1HB   GLN  69          1HB       GLN  69  -9.238  -9.247  -0.035
  560   2HB   GLN  69          2HB       GLN  69 -10.647  -8.508  -0.783
  561   1HG   GLN  69          1HG       GLN  69 -11.417  -9.068   1.313
  562   2HG   GLN  69          2HG       GLN  69 -11.965 -10.423   0.328
  563   2HE2  GLN  69          2HE2      GLN  69  -8.608 -10.292   0.952
  564   1HE2  GLN  69          1HE2      GLN  69  -8.558 -11.510   2.174
  565    H    GLU  70           H        GLU  70  -9.354 -11.548  -3.705
  566    HA   GLU  70           HA       GLU  70  -7.300  -9.838  -4.520
  567   1HB   GLU  70          1HB       GLU  70  -8.994 -11.712  -6.173
  568   2HB   GLU  70          2HB       GLU  70  -7.487 -10.980  -6.707
  569   1HG   GLU  70          1HG       GLU  70  -6.253 -12.147  -5.020
  570   2HG   GLU  70          2HG       GLU  70  -7.743 -12.762  -4.307
  571    H    ASP  71           H        ASP  71 -10.596  -9.233  -4.506
  572    HA   ASP  71           HA       ASP  71 -10.979  -7.836  -6.914
  573   1HB   ASP  71          1HB       ASP  71 -12.865  -6.736  -5.764
  574   2HB   ASP  71          2HB       ASP  71 -12.854  -8.472  -5.474
  575    H    LEU  72           H        LEU  72  -9.903  -6.759  -3.723
  576    HA   LEU  72           HA       LEU  72  -9.524  -4.034  -4.488
  577   1HB   LEU  72          1HB       LEU  72  -8.419  -5.605  -2.155
  578   2HB   LEU  72          2HB       LEU  72  -8.298  -3.866  -2.337
  579    HG   LEU  72           HG       LEU  72 -10.901  -5.377  -2.116
  580   1HD1  LEU  72          1HD1      LEU  72  -9.006  -4.663  -0.106
  581   2HD1  LEU  72          2HD1      LEU  72 -10.455  -3.676   0.095
  582   3HD1  LEU  72          3HD1      LEU  72 -10.580  -5.436   0.079
  583   1HD2  LEU  72          1HD2      LEU  72 -10.715  -3.085  -3.320
  584   2HD2  LEU  72          2HD2      LEU  72 -11.976  -3.325  -2.110
  585   3HD2  LEU  72          3HD2      LEU  72 -10.509  -2.441  -1.692
  586    H    LEU  73           H        LEU  73  -7.589  -6.933  -4.448
  587    HA   LEU  73           HA       LEU  73  -5.031  -5.933  -4.653
  588   1HB   LEU  73          1HB       LEU  73  -6.355  -8.382  -4.840
  589   2HB   LEU  73          2HB       LEU  73  -5.497  -8.219  -6.343
  590    HG   LEU  73           HG       LEU  73  -4.085  -9.421  -4.843
  591   1HD1  LEU  73          1HD1      LEU  73  -3.196  -7.325  -6.185
  592   2HD1  LEU  73          2HD1      LEU  73  -2.880  -6.722  -4.558
  593   3HD1  LEU  73          3HD1      LEU  73  -2.152  -8.236  -5.094
  594   1HD2  LEU  73          1HD2      LEU  73  -5.416  -8.252  -2.865
  595   2HD2  LEU  73          2HD2      LEU  73  -3.833  -8.990  -2.634
  596   3HD2  LEU  73          3HD2      LEU  73  -3.967  -7.243  -2.842
  597    H    SER  74           H        SER  74  -7.456  -6.521  -7.150
  598    HA   SER  74           HA       SER  74  -5.951  -6.036  -9.423
  599   1HB   SER  74          1HB       SER  74  -8.262  -6.869  -9.479
  600   2HB   SER  74          2HB       SER  74  -8.844  -5.302  -8.914
  601    HG   SER  74           HG       SER  74  -7.236  -5.246 -11.165
  602    H    GLU  75           H        GLU  75  -7.540  -3.783  -7.230
  603    HA   GLU  75           HA       GLU  75  -7.021  -1.441  -8.744
  604   1HB   GLU  75          1HB       GLU  75  -7.487  -1.733  -5.769
  605   2HB   GLU  75          2HB       GLU  75  -7.594  -0.237  -6.686
  606   1HG   GLU  75          1HG       GLU  75  -9.467  -1.125  -7.951
  607   2HG   GLU  75          2HG       GLU  75  -9.348  -2.651  -7.076
  608    H    PHE  76           H        PHE  76  -5.309  -3.081  -6.120
  609    HA   PHE  76           HA       PHE  76  -3.329  -1.184  -5.619
  610   1HB   PHE  76          1HB       PHE  76  -3.771  -3.291  -4.297
  611   2HB   PHE  76          2HB       PHE  76  -2.934  -4.184  -5.561
  612    HD1  PHE  76           HD1      PHE  76  -2.135  -0.915  -3.970
  613    HD2  PHE  76           HD2      PHE  76  -0.962  -4.954  -4.627
  614    HE1  PHE  76           HE1      PHE  76   0.006  -0.472  -2.845
  615    HE2  PHE  76           HE2      PHE  76   1.185  -4.518  -3.501
  616    HZ   PHE  76           HZ       PHE  76   1.666  -2.271  -2.606
  617    H    GLY  77           H        GLY  77  -3.454  -3.799  -7.994
  618   1HA   GLY  77          1HA       GLY  77  -2.227  -4.210  -9.882
  619   2HA   GLY  77          2HA       GLY  77  -0.864  -3.485  -9.042
  620    H    GLN  78           H        GLN  78  -3.872  -1.810  -9.718
  621    HA   GLN  78           HA       GLN  78  -3.240  -0.604 -12.144
  622   1HB   GLN  78          1HB       GLN  78  -4.832   0.614  -9.879
  623   2HB   GLN  78          2HB       GLN  78  -4.903   1.087 -11.570
  624   1HG   GLN  78          1HG       GLN  78  -5.724  -1.583 -10.452
  625   2HG   GLN  78          2HG       GLN  78  -6.812  -0.279 -10.925
  626   2HE2  GLN  78          2HE2      GLN  78  -5.670  -3.145 -11.873
  627   1HE2  GLN  78          1HE2      GLN  78  -5.776  -2.975 -13.588
  628    H    PHE  79           H        PHE  79  -2.640   0.550  -8.840
  629    HA   PHE  79           HA       PHE  79  -1.362   2.954  -9.650
  630   1HB   PHE  79          1HB       PHE  79  -1.369   1.466  -7.022
  631   2HB   PHE  79          2HB       PHE  79  -0.575   3.019  -7.252
  632    HD1  PHE  79           HD1      PHE  79  -3.913   1.585  -8.167
  633    HD2  PHE  79           HD2      PHE  79  -1.737   4.754  -6.341
  634    HE1  PHE  79           HE1      PHE  79  -6.024   2.748  -7.681
  635    HE2  PHE  79           HE2      PHE  79  -3.845   5.921  -5.848
  636    HZ   PHE  79           HZ       PHE  79  -5.992   4.919  -6.519
  637    H    LEU  80           H        LEU  80  -0.142  -0.206  -8.590
  638    HA   LEU  80           HA       LEU  80   2.572   0.406  -8.536
  639   1HB   LEU  80          1HB       LEU  80   1.262  -2.202  -9.308
  640   2HB   LEU  80          2HB       LEU  80   2.948  -2.009  -8.868
  641    HG   LEU  80           HG       LEU  80   0.597  -1.508  -7.039
  642   1HD1  LEU  80          1HD1      LEU  80   1.263  -3.918  -7.767
  643   2HD1  LEU  80          2HD1      LEU  80   2.628  -3.666  -6.678
  644   3HD1  LEU  80          3HD1      LEU  80   0.979  -3.559  -6.063
  645   1HD2  LEU  80          1HD2      LEU  80   3.557  -1.180  -6.717
  646   2HD2  LEU  80          2HD2      LEU  80   2.255  -0.086  -6.250
  647   3HD2  LEU  80          3HD2      LEU  80   2.538  -1.563  -5.329
  648    HA   PRO  81           HA       PRO  81   3.325   1.170 -12.869
  649   1HB   PRO  81          1HB       PRO  81   6.022   1.388 -12.719
  650   2HB   PRO  81          2HB       PRO  81   4.928   2.667 -12.179
  651   1HG   PRO  81          1HG       PRO  81   6.352   0.585 -10.566
  652   2HG   PRO  81          2HG       PRO  81   6.145   2.314 -10.228
  653   1HD   PRO  81          1HD       PRO  81   4.622   0.408  -9.054
  654   2HD   PRO  81          2HD       PRO  81   4.001   2.029  -9.427
  655    H    GLU  82           H        GLU  82   3.450  -0.255 -14.478
  656    HA   GLU  82           HA       GLU  82   4.276  -2.943 -14.038
  657   1HB   GLU  82          1HB       GLU  82   3.806  -3.245 -16.441
  658   2HB   GLU  82          2HB       GLU  82   2.488  -2.444 -15.599
  659   1HG   GLU  82          1HG       GLU  82   3.245  -0.288 -16.461
  660   2HG   GLU  82          2HG       GLU  82   4.571  -1.090 -17.301
  661    H    ALA  83           H        ALA  83   6.175  -3.930 -14.441
  662    HA   ALA  83           HA       ALA  83   8.494  -2.352 -14.931
  663   1HB   ALA  83          1HB       ALA  83   9.702  -4.203 -14.370
  664   2HB   ALA  83          2HB       ALA  83   8.155  -4.644 -13.646
  665   3HB   ALA  83          3HB       ALA  83   8.614  -5.306 -15.214
  666    H    LYS  84           H        LYS  84  10.082  -3.897 -16.569
  667    HA   LYS  84           HA       LYS  84  10.696  -4.185 -18.735
  668   1HB   LYS  84          1HB       LYS  84   7.741  -4.697 -19.110
  669   2HB   LYS  84          2HB       LYS  84   8.972  -5.015 -20.323
  670   1HG   LYS  84          1HG       LYS  84  10.022  -6.647 -18.859
  671   2HG   LYS  84          2HG       LYS  84   8.826  -6.307 -17.607
  672   1HD   LYS  84          1HD       LYS  84   7.046  -7.097 -19.074
  673   2HD   LYS  84          2HD       LYS  84   8.221  -7.395 -20.358
  674   1HE   LYS  84          1HE       LYS  84   8.179  -8.744 -17.660
  675   2HE   LYS  84          2HE       LYS  84   7.616  -9.456 -19.171
  676   1HZ   LYS  84          1HZ       LYS  84  10.302  -8.434 -19.306
  677   2HZ   LYS  84          2HZ       LYS  84  10.118  -9.682 -18.178
  678   3HZ   LYS  84          3HZ       LYS  84   9.689  -9.934 -19.795
  679    H    ARG  85           H        ARG  85  11.200  -2.843 -20.373
  680    HA   ARG  85           HA       ARG  85  10.265  -0.187 -20.357
  681   1HB   ARG  85          1HB       ARG  85  11.862  -1.722 -22.408
  682   2HB   ARG  85          2HB       ARG  85  11.506  -0.008 -22.556
  683   1HG   ARG  85          1HG       ARG  85  13.693  -0.207 -21.668
  684   2HG   ARG  85          2HG       ARG  85  12.645   0.335 -20.358
  685   1HD   ARG  85          1HD       ARG  85  12.517  -1.965 -19.520
  686   2HD   ARG  85          2HD       ARG  85  13.573  -2.496 -20.828
  687    HE   ARG  85           HE       ARG  85  14.852  -0.443 -19.412
  688   1HH1  ARG  85          1HH1      ARG  85  13.854  -3.756 -18.986
  689   2HH1  ARG  85          2HH1      ARG  85  15.104  -4.118 -17.844
  690   1HH2  ARG  85          1HH2      ARG  85  16.497  -0.911 -17.912
  691   2HH2  ARG  85          2HH2      ARG  85  16.607  -2.500 -17.233
  692    H1   ASN   1           H1       ASN   1   4.394   7.691  -5.444
  693    H2   ASN   1           H2       ASN   1   5.089   6.569  -6.504
  694    H3   ASN   1           H3       ASN   1   4.454   8.017  -7.103
  695    HA   ASN   1           HA       ASN   1   2.292   7.359  -6.879
  696   1HB   ASN   1          1HB       ASN   1   3.497   6.016  -8.567
  697   2HB   ASN   1          2HB       ASN   1   3.840   4.799  -7.342
  698   2HD2  ASN   1          2HD2      ASN   1   1.883   5.537  -9.842
  699   1HD2  ASN   1          1HD2      ASN   1   0.501   4.581  -9.436
  700    H    ILE   2           H        ILE   2   4.300   5.092  -5.032
  701    HA   ILE   2           HA       ILE   2   2.197   3.968  -3.526
  702    HB   ILE   2           HB       ILE   2   5.152   4.155  -2.933
  703   1HG1  ILE   2          1HG1      ILE   2   4.618   2.845  -4.920
  704   2HG1  ILE   2          2HG1      ILE   2   5.156   1.782  -3.624
  705   1HG2  ILE   2          1HG2      ILE   2   3.042   2.528  -1.519
  706   2HG2  ILE   2          2HG2      ILE   2   4.782   2.387  -1.268
  707   3HG2  ILE   2          3HG2      ILE   2   3.949   3.882  -0.844
  708   1HD1  ILE   2          1HD1      ILE   2   2.302   2.078  -3.557
  709   2HD1  ILE   2          2HD1      ILE   2   2.843   1.553  -5.152
  710   3HD1  ILE   2          3HD1      ILE   2   3.281   0.620  -3.720
  711    H    GLN   3           H        GLN   3   4.217   6.790  -3.066
  712    HA   GLN   3           HA       GLN   3   3.799   7.365  -0.404
  713   1HB   GLN   3          1HB       GLN   3   5.327   8.624  -1.847
  714   2HB   GLN   3          2HB       GLN   3   3.962   9.312  -2.712
  715   1HG   GLN   3          1HG       GLN   3   4.236   9.707   0.237
  716   2HG   GLN   3          2HG       GLN   3   5.159  10.698  -0.890
  717   2HE2  GLN   3          2HE2      GLN   3   2.539  10.084  -2.625
  718   1HE2  GLN   3          1HE2      GLN   3   1.514  11.390  -2.148
  719    H    MET   4           H        MET   4   1.622   7.858  -3.122
  720    HA   MET   4           HA       MET   4  -0.243   9.523  -1.831
  721   1HB   MET   4          1HB       MET   4  -0.608   7.556  -4.093
  722   2HB   MET   4          2HB       MET   4  -1.833   8.710  -3.583
  723   1HG   MET   4          1HG       MET   4   0.902   9.402  -4.628
  724   2HG   MET   4          2HG       MET   4  -0.604   9.482  -5.541
  725   1HE   MET   4          1HE       MET   4   1.084  11.630  -5.758
  726   2HE   MET   4          2HE       MET   4  -0.455  12.451  -6.022
  727   3HE   MET   4          3HE       MET   4   0.721  13.120  -4.890
  728    H    LEU   5           H        LEU   5  -0.245   5.981  -2.265
  729    HA   LEU   5           HA       LEU   5  -2.633   5.548  -0.822
  730   1HB   LEU   5          1HB       LEU   5  -0.337   3.656  -1.337
  731   2HB   LEU   5          2HB       LEU   5  -1.919   3.188  -0.741
  732    HG   LEU   5           HG       LEU   5  -1.313   4.368  -3.455
  733   1HD1  LEU   5          1HD1      LEU   5  -0.982   1.796  -2.613
  734   2HD1  LEU   5          2HD1      LEU   5  -2.632   1.770  -3.241
  735   3HD1  LEU   5          3HD1      LEU   5  -1.301   2.289  -4.276
  736   1HD2  LEU   5          1HD2      LEU   5  -3.506   5.073  -2.452
  737   2HD2  LEU   5          2HD2      LEU   5  -3.626   4.171  -3.963
  738   3HD2  LEU   5          3HD2      LEU   5  -3.962   3.370  -2.428
  739    H    LEU   6           H        LEU   6   0.777   5.310   0.142
  740    HA   LEU   6           HA       LEU   6   0.332   4.449   2.771
  741   1HB   LEU   6          1HB       LEU   6   2.510   4.311   1.717
  742   2HB   LEU   6          2HB       LEU   6   2.603   6.057   1.608
  743    HG   LEU   6           HG       LEU   6   2.767   6.244   4.023
  744   1HD1  LEU   6          1HD1      LEU   6   1.332   4.214   4.466
  745   2HD1  LEU   6          2HD1      LEU   6   2.773   3.241   4.171
  746   3HD1  LEU   6          3HD1      LEU   6   2.749   4.401   5.499
  747   1HD2  LEU   6          1HD2      LEU   6   4.644   4.644   2.427
  748   2HD2  LEU   6          2HD2      LEU   6   4.917   6.094   3.395
  749   3HD2  LEU   6          3HD2      LEU   6   4.844   4.514   4.176
  750    H    GLU   7           H        GLU   7   0.757   7.728   1.466
  751    HA   GLU   7           HA       GLU   7   0.528   9.079   3.928
  752   1HB   GLU   7          1HB       GLU   7   1.435  10.159   1.930
  753   2HB   GLU   7          2HB       GLU   7  -0.127  10.035   1.133
  754   1HG   GLU   7          1HG       GLU   7   0.212  12.279   1.924
  755   2HG   GLU   7          2HG       GLU   7  -1.092  11.520   2.834
  756    H    ALA   8           H        ALA   8  -1.820   7.937   1.597
  757    HA   ALA   8           HA       ALA   8  -4.112   9.259   2.402
  758   1HB   ALA   8          1HB       ALA   8  -3.484   6.804   0.958
  759   2HB   ALA   8          2HB       ALA   8  -4.719   8.023   0.639
  760   3HB   ALA   8          3HB       ALA   8  -5.028   6.739   1.808
  761    H    ALA   9           H        ALA   9  -2.550   6.428   3.798
  762    HA   ALA   9           HA       ALA   9  -4.530   5.629   5.585
  763   1HB   ALA   9          1HB       ALA   9  -1.538   5.412   5.651
  764   2HB   ALA   9          2HB       ALA   9  -2.730   4.162   5.291
  765   3HB   ALA   9          3HB       ALA   9  -2.547   4.758   6.942
  766    H    ASP  10           H        ASP  10  -1.842   7.905   6.069
  767    HA   ASP  10           HA       ASP  10  -2.420   8.533   8.747
  768   1HB   ASP  10          1HB       ASP  10  -0.266   9.046   7.647
  769   2HB   ASP  10          2HB       ASP  10  -1.070  10.261   6.661
  770    H    TYR  11           H        TYR  11  -3.536   9.911   5.704
  771    HA   TYR  11           HA       TYR  11  -4.804  12.198   6.672
  772   1HB   TYR  11          1HB       TYR  11  -4.464  11.824   4.293
  773   2HB   TYR  11          2HB       TYR  11  -5.545  10.435   4.328
  774    HD1  TYR  11           HD1      TYR  11  -5.671  14.028   5.384
  775    HD2  TYR  11           HD2      TYR  11  -7.624  10.795   3.423
  776    HE1  TYR  11           HE1      TYR  11  -7.571  15.500   4.865
  777    HE2  TYR  11           HE2      TYR  11  -9.529  12.261   2.896
  778    HH   TYR  11           HH       TYR  11  -9.812  15.465   4.236
  779    H    LEU  12           H        LEU  12  -6.239   8.997   6.013
  780    HA   LEU  12           HA       LEU  12  -8.786   9.639   7.029
  781   1HB   LEU  12          1HB       LEU  12  -7.422   6.969   6.697
  782   2HB   LEU  12          2HB       LEU  12  -9.118   7.166   7.095
  783    HG   LEU  12           HG       LEU  12  -7.820   8.172   4.557
  784   1HD1  LEU  12          1HD1      LEU  12  -9.416   5.695   5.162
  785   2HD1  LEU  12          2HD1      LEU  12  -9.249   6.349   3.533
  786   3HD1  LEU  12          3HD1      LEU  12  -7.821   5.815   4.420
  787   1HD2  LEU  12          1HD2      LEU  12  -9.968   9.254   5.635
  788   2HD2  LEU  12          2HD2      LEU  12  -9.861   8.963   3.899
  789   3HD2  LEU  12          3HD2      LEU  12 -10.753   7.842   4.927
  790    H    GLU  13           H        GLU  13  -6.064   7.889   8.512
  791    HA   GLU  13           HA       GLU  13  -7.324   7.464  11.002
  792   1HB   GLU  13          1HB       GLU  13  -4.380   7.617  10.328
  793   2HB   GLU  13          2HB       GLU  13  -5.038   7.005  11.840
  794   1HG   GLU  13          1HG       GLU  13  -6.175   5.220  10.626
  795   2HG   GLU  13          2HG       GLU  13  -5.521   5.835   9.109

  No H/Q in entry =         795
  Start of MODEL   14
    1    H1   GLU   1           H1       GLU   1  -2.730  19.782  -7.524
    2    H2   GLU   1           H2       GLU   1  -1.739  21.069  -7.052
    3    H3   GLU   1           H3       GLU   1  -1.452  19.516  -6.449
    4    HA   GLU   1           HA       GLU   1  -3.098  19.608  -4.935
    5   1HB   GLU   1          1HB       GLU   1  -2.548  22.533  -5.491
    6   2HB   GLU   1          2HB       GLU   1  -3.212  21.889  -3.995
    7   1HG   GLU   1          1HG       GLU   1  -1.154  20.653  -3.598
    8   2HG   GLU   1          2HG       GLU   1  -0.488  21.261  -5.113
    9    H    SER   2           H        SER   2  -4.769  22.164  -4.694
   10    HA   SER   2           HA       SER   2  -6.934  22.743  -5.069
   11   1HB   SER   2          1HB       SER   2  -6.212  21.979  -7.909
   12   2HB   SER   2          2HB       SER   2  -7.626  22.921  -7.438
   13    HG   SER   2           HG       SER   2  -5.012  23.689  -7.695
   14    H    ASP   3           H        ASP   3  -6.691  20.225  -4.017
   15    HA   ASP   3           HA       ASP   3  -7.823  18.286  -3.665
   16   1HB   ASP   3          1HB       ASP   3  -9.950  19.680  -5.308
   17   2HB   ASP   3          2HB       ASP   3 -10.206  18.235  -4.336
   18    H    SER   4           H        SER   4  -5.961  17.858  -5.459
   19    HA   SER   4           HA       SER   4  -6.537  17.148  -8.033
   20   1HB   SER   4          1HB       SER   4  -4.719  15.484  -6.389
   21   2HB   SER   4          2HB       SER   4  -4.530  16.020  -8.042
   22    HG   SER   4           HG       SER   4  -4.401  17.693  -5.762
   23    H    VAL   5           H        VAL   5  -7.254  15.389  -9.061
   24    HA   VAL   5           HA       VAL   5  -9.220  13.795  -7.857
   25    HB   VAL   5           HB       VAL   5  -7.691  13.314 -10.417
   26   1HG1  VAL   5          1HG1      VAL   5  -8.845  11.303  -9.466
   27   2HG1  VAL   5          2HG1      VAL   5 -10.368  12.181  -9.621
   28   3HG1  VAL   5          3HG1      VAL   5  -9.420  11.799 -11.059
   29   1HG2  VAL   5          1HG2      VAL   5  -9.560  15.309  -9.729
   30   2HG2  VAL   5          2HG2      VAL   5  -8.900  14.943 -11.322
   31   3HG2  VAL   5          3HG2      VAL   5 -10.394  14.171 -10.787
   32    H    GLU   6           H        GLU   6  -5.848  13.167  -8.660
   33    HA   GLU   6           HA       GLU   6  -5.724  10.450  -8.072
   34   1HB   GLU   6          1HB       GLU   6  -3.559  12.521  -7.695
   35   2HB   GLU   6          2HB       GLU   6  -3.316  10.783  -7.811
   36   1HG   GLU   6          1HG       GLU   6  -4.170  10.806 -10.094
   37   2HG   GLU   6          2HG       GLU   6  -4.438  12.545  -9.980
   38    H    PHE   7           H        PHE   7  -5.440  13.243  -5.926
   39    HA   PHE   7           HA       PHE   7  -4.541  11.904  -3.633
   40   1HB   PHE   7          1HB       PHE   7  -4.549  14.354  -3.826
   41   2HB   PHE   7          2HB       PHE   7  -6.309  14.357  -3.832
   42    HD1  PHE   7           HD1      PHE   7  -3.960  12.445  -1.663
   43    HD2  PHE   7           HD2      PHE   7  -6.912  15.501  -1.916
   44    HE1  PHE   7           HE1      PHE   7  -3.971  12.633   0.790
   45    HE2  PHE   7           HE2      PHE   7  -6.928  15.693   0.535
   46    HZ   PHE   7           HZ       PHE   7  -5.457  14.259   1.892
   47    H    ASN   8           H        ASN   8  -7.891  12.858  -4.454
   48    HA   ASN   8           HA       ASN   8  -9.073  11.406  -2.341
   49   1HB   ASN   8          1HB       ASN   8 -10.510  13.007  -3.139
   50   2HB   ASN   8          2HB       ASN   8  -9.987  12.801  -4.806
   51   2HD2  ASN   8          2HD2      ASN   8 -11.326  11.863  -6.107
   52   1HD2  ASN   8          1HD2      ASN   8 -12.626  10.829  -5.661
   53    H    ASN   9           H        ASN   9  -8.086  10.681  -5.560
   54    HA   ASN   9           HA       ASN   9  -9.440   8.316  -6.112
   55   1HB   ASN   9          1HB       ASN   9  -7.946   9.654  -7.651
   56   2HB   ASN   9          2HB       ASN   9  -6.569   8.942  -6.835
   57   2HD2  ASN   9          2HD2      ASN   9  -7.812   8.844  -9.579
   58   1HD2  ASN   9          1HD2      ASN   9  -7.782   7.170  -9.955
   59    H    ALA  10           H        ALA  10  -6.445   8.920  -4.351
   60    HA   ALA  10           HA       ALA  10  -5.869   6.182  -3.801
   61   1HB   ALA  10          1HB       ALA  10  -4.470   7.526  -1.917
   62   2HB   ALA  10          2HB       ALA  10  -3.930   7.314  -3.582
   63   3HB   ALA  10          3HB       ALA  10  -4.734   8.809  -3.100
   64    H    ILE  11           H        ILE  11  -7.333   8.834  -1.955
   65    HA   ILE  11           HA       ILE  11  -7.619   7.618   0.511
   66    HB   ILE  11           HB       ILE  11  -9.640   9.455  -0.780
   67   1HG1  ILE  11          1HG1      ILE  11  -7.398  10.433  -0.857
   68   2HG1  ILE  11          2HG1      ILE  11  -8.404  11.284   0.306
   69   1HG2  ILE  11          1HG2      ILE  11  -9.386   8.262   1.861
   70   2HG2  ILE  11          2HG2      ILE  11  -9.541  10.019   1.902
   71   3HG2  ILE  11          3HG2      ILE  11 -10.770   9.044   1.095
   72   1HD1  ILE  11          1HD1      ILE  11  -6.889   9.122   1.511
   73   2HD1  ILE  11          2HD1      ILE  11  -5.867  10.336   0.738
   74   3HD1  ILE  11          3HD1      ILE  11  -7.024  10.818   1.980
   75    H    SER  12           H        SER  12  -9.748   7.433  -2.308
   76    HA   SER  12           HA       SER  12 -11.849   6.007  -1.173
   77   1HB   SER  12          1HB       SER  12 -11.992   7.011  -3.400
   78   2HB   SER  12          2HB       SER  12 -10.797   5.865  -4.009
   79    HG   SER  12           HG       SER  12 -12.599   4.835  -4.500
   80    H    TYR  13           H        TYR  13  -8.783   4.868  -2.511
   81    HA   TYR  13           HA       TYR  13  -9.376   2.111  -2.486
   82   1HB   TYR  13          1HB       TYR  13  -7.463   3.023  -3.707
   83   2HB   TYR  13          2HB       TYR  13  -6.715   3.524  -2.198
   84    HD1  TYR  13           HD1      TYR  13  -8.325   0.314  -3.253
   85    HD2  TYR  13           HD2      TYR  13  -4.814   2.264  -1.853
   86    HE1  TYR  13           HE1      TYR  13  -7.190  -1.860  -3.092
   87    HE2  TYR  13           HE2      TYR  13  -3.667   0.096  -1.688
   88    HH   TYR  13           HH       TYR  13  -4.958  -2.652  -1.456
   89    H    VAL  14           H        VAL  14  -7.515   4.071  -0.186
   90    HA   VAL  14           HA       VAL  14  -7.087   2.103   1.739
   91    HB   VAL  14           HB       VAL  14  -7.494   5.035   2.319
   92   1HG1  VAL  14          1HG1      VAL  14  -6.837   2.810   3.951
   93   2HG1  VAL  14          2HG1      VAL  14  -5.412   3.843   3.832
   94   3HG1  VAL  14          3HG1      VAL  14  -6.942   4.512   4.400
   95   1HG2  VAL  14          1HG2      VAL  14  -5.190   3.571   1.096
   96   2HG2  VAL  14          2HG2      VAL  14  -5.904   5.117   0.639
   97   3HG2  VAL  14          3HG2      VAL  14  -4.906   5.000   2.089
   98    H    ASN  15           H        ASN  15  -9.739   4.433   1.455
   99    HA   ASN  15           HA       ASN  15 -11.092   3.870   3.819
  100   1HB   ASN  15          1HB       ASN  15 -11.563   5.732   2.217
  101   2HB   ASN  15          2HB       ASN  15 -12.371   4.583   1.191
  102   2HD2  ASN  15          2HD2      ASN  15 -13.065   6.946   3.074
  103   1HD2  ASN  15          1HD2      ASN  15 -14.508   6.381   3.819
  104    H    LYS  16           H        LYS  16 -11.752   2.628   0.578
  105    HA   LYS  16           HA       LYS  16 -13.771   0.839   1.207
  106   1HB   LYS  16          1HB       LYS  16 -13.073   1.434  -1.105
  107   2HB   LYS  16          2HB       LYS  16 -11.635   0.442  -0.903
  108   1HG   LYS  16          1HG       LYS  16 -13.037  -1.538  -0.616
  109   2HG   LYS  16          2HG       LYS  16 -14.480  -0.543  -0.825
  110   1HD   LYS  16          1HD       LYS  16 -13.746   0.051  -3.081
  111   2HD   LYS  16          2HD       LYS  16 -12.294  -0.931  -2.871
  112   1HE   LYS  16          1HE       LYS  16 -13.723  -2.919  -2.562
  113   2HE   LYS  16          2HE       LYS  16 -15.146  -1.918  -2.851
  114   1HZ   LYS  16          1HZ       LYS  16 -12.945  -2.190  -4.817
  115   2HZ   LYS  16          2HZ       LYS  16 -14.300  -3.201  -4.812
  116   3HZ   LYS  16          3HZ       LYS  16 -14.485  -1.538  -5.069
  117    H    ILE  17           H        ILE  17 -10.287   0.439   1.459
  118    HA   ILE  17           HA       ILE  17 -10.267  -2.333   1.993
  119    HB   ILE  17           HB       ILE  17  -8.328  -0.155   2.773
  120   1HG1  ILE  17          1HG1      ILE  17  -8.218  -2.281   0.622
  121   2HG1  ILE  17          2HG1      ILE  17  -8.599  -0.583   0.355
  122   1HG2  ILE  17          1HG2      ILE  17  -8.255  -2.151   4.291
  123   2HG2  ILE  17          2HG2      ILE  17  -7.818  -3.120   2.884
  124   3HG2  ILE  17          3HG2      ILE  17  -6.758  -1.816   3.422
  125   1HD1  ILE  17          1HD1      ILE  17  -6.262  -0.245   1.529
  126   2HD1  ILE  17          2HD1      ILE  17  -6.001  -1.882   0.926
  127   3HD1  ILE  17          3HD1      ILE  17  -6.402  -0.582  -0.197
  128    H    LYS  18           H        LYS  18 -10.527   0.514   4.056
  129    HA   LYS  18           HA       LYS  18 -10.416  -0.801   6.548
  130   1HB   LYS  18          1HB       LYS  18 -10.154   1.645   6.227
  131   2HB   LYS  18          2HB       LYS  18 -11.857   1.757   5.822
  132   1HG   LYS  18          1HG       LYS  18 -12.409   0.901   8.075
  133   2HG   LYS  18          2HG       LYS  18 -10.690   0.931   8.471
  134   1HD   LYS  18          1HD       LYS  18 -12.338   3.321   7.643
  135   2HD   LYS  18          2HD       LYS  18 -11.878   2.923   9.299
  136   1HE   LYS  18          1HE       LYS  18  -9.518   3.139   8.696
  137   2HE   LYS  18          2HE       LYS  18  -9.973   3.519   7.036
  138   1HZ   LYS  18          1HZ       LYS  18 -11.308   5.221   8.882
  139   2HZ   LYS  18          2HZ       LYS  18  -9.632   5.301   9.099
  140   3HZ   LYS  18          3HZ       LYS  18 -10.305   5.629   7.582
  141    H    THR  19           H        THR  19 -13.184   0.427   4.711
  142    HA   THR  19           HA       THR  19 -15.191  -0.596   6.362
  143    HB   THR  19           HB       THR  19 -15.595   1.115   4.616
  144    HG1  THR  19           HG1      THR  19 -17.292  -1.039   3.978
  145   1HG2  THR  19          1HG2      THR  19 -14.724  -1.074   2.874
  146   2HG2  THR  19          2HG2      THR  19 -16.181  -0.242   2.328
  147   3HG2  THR  19          3HG2      THR  19 -14.698   0.670   2.608
  148    H    ARG  20           H        ARG  20 -13.343  -2.120   3.821
  149    HA   ARG  20           HA       ARG  20 -15.035  -4.365   3.464
  150   1HB   ARG  20          1HB       ARG  20 -13.404  -3.795   1.773
  151   2HB   ARG  20          2HB       ARG  20 -12.084  -3.992   2.925
  152   1HG   ARG  20          1HG       ARG  20 -12.341  -5.876   1.329
  153   2HG   ARG  20          2HG       ARG  20 -12.437  -6.353   3.027
  154   1HD   ARG  20          1HD       ARG  20 -14.858  -6.408   2.896
  155   2HD   ARG  20          2HD       ARG  20 -14.800  -5.866   1.220
  156    HE   ARG  20           HE       ARG  20 -14.553  -8.521   2.121
  157   1HH1  ARG  20          1HH1      ARG  20 -13.152  -6.320  -0.193
  158   2HH1  ARG  20          2HH1      ARG  20 -12.692  -7.573  -1.297
  159   1HH2  ARG  20          1HH2      ARG  20 -13.956 -10.173   0.671
  160   2HH2  ARG  20          2HH2      ARG  20 -13.152  -9.761  -0.808
  161    H    PHE  21           H        PHE  21 -11.961  -4.028   5.230
  162    HA   PHE  21           HA       PHE  21 -12.506  -6.518   6.639
  163   1HB   PHE  21          1HB       PHE  21 -10.059  -4.747   6.600
  164   2HB   PHE  21          2HB       PHE  21 -10.192  -6.239   7.518
  165    HD1  PHE  21           HD1      PHE  21 -10.291  -4.875   4.067
  166    HD2  PHE  21           HD2      PHE  21  -9.703  -8.294   6.532
  167    HE1  PHE  21           HE1      PHE  21  -9.516  -6.152   2.112
  168    HE2  PHE  21           HE2      PHE  21  -8.919  -9.572   4.589
  169    HZ   PHE  21           HZ       PHE  21  -8.827  -8.503   2.371
  170    H    LEU  22           H        LEU  22 -14.253  -4.436   7.354
  171    HA   LEU  22           HA       LEU  22 -13.498  -2.922   9.573
  172   1HB   LEU  22          1HB       LEU  22 -16.153  -4.094   8.781
  173   2HB   LEU  22          2HB       LEU  22 -15.966  -3.077  10.195
  174    HG   LEU  22           HG       LEU  22 -15.345  -2.231   7.364
  175   1HD1  LEU  22          1HD1      LEU  22 -17.828  -2.566   8.538
  176   2HD1  LEU  22          2HD1      LEU  22 -17.491  -0.845   8.727
  177   3HD1  LEU  22          3HD1      LEU  22 -17.458  -1.580   7.124
  178   1HD2  LEU  22          1HD2      LEU  22 -14.608  -1.138   9.899
  179   2HD2  LEU  22          2HD2      LEU  22 -14.252  -0.532   8.281
  180   3HD2  LEU  22          3HD2      LEU  22 -15.736  -0.044   9.099
  181    H    ASP  23           H        ASP  23 -14.507  -6.270   9.329
  182    HA   ASP  23           HA       ASP  23 -14.760  -6.682  12.144
  183   1HB   ASP  23          1HB       ASP  23 -15.973  -8.046  10.499
  184   2HB   ASP  23          2HB       ASP  23 -14.446  -8.698   9.916
  185    H    HIS  24           H        HIS  24 -12.226  -7.270   9.744
  186    HA   HIS  24           HA       HIS  24 -10.422  -8.136  11.878
  187   1HB   HIS  24          1HB       HIS  24 -10.241  -8.468   8.882
  188   2HB   HIS  24          2HB       HIS  24  -9.081  -9.069  10.047
  189    HD1  HIS  24           HD1      HIS  24 -10.419 -10.676  11.988
  190    HD2  HIS  24           HD2      HIS  24 -11.945 -10.408   8.132
  191    HE1  HIS  24           HE1      HIS  24 -11.905 -12.685  11.713
  192    HE2  HIS  24           HE2      HIS  24 -12.742 -12.553   9.339
  193    HA   PRO  25           HA       PRO  25  -9.112  -3.750  10.869
  194   1HB   PRO  25          1HB       PRO  25  -8.156  -3.310  13.389
  195   2HB   PRO  25          2HB       PRO  25  -9.798  -2.933  12.873
  196   1HG   PRO  25          1HG       PRO  25  -8.783  -5.325  14.362
  197   2HG   PRO  25          2HG       PRO  25 -10.263  -4.381  14.632
  198   1HD   PRO  25          1HD       PRO  25 -10.338  -6.736  13.362
  199   2HD   PRO  25          2HD       PRO  25 -11.376  -5.386  12.857
  200    H    GLU  26           H        GLU  26  -7.503  -6.364  12.606
  201    HA   GLU  26           HA       GLU  26  -4.887  -5.493  12.595
  202   1HB   GLU  26          1HB       GLU  26  -4.239  -7.867  12.608
  203   2HB   GLU  26          2HB       GLU  26  -5.576  -7.549  13.704
  204   1HG   GLU  26          1HG       GLU  26  -7.144  -8.428  12.050
  205   2HG   GLU  26          2HG       GLU  26  -5.803  -8.747  10.951
  206    H    ILE  27           H        ILE  27  -6.783  -6.813   9.962
  207    HA   ILE  27           HA       ILE  27  -4.691  -7.284   8.123
  208    HB   ILE  27           HB       ILE  27  -7.441  -6.380   7.308
  209   1HG1  ILE  27          1HG1      ILE  27  -7.471  -8.116   9.198
  210   2HG1  ILE  27          2HG1      ILE  27  -8.378  -8.495   7.746
  211   1HG2  ILE  27          1HG2      ILE  27  -5.347  -8.186   6.130
  212   2HG2  ILE  27          2HG2      ILE  27  -7.012  -8.162   5.549
  213   3HG2  ILE  27          3HG2      ILE  27  -6.025  -6.703   5.458
  214   1HD1  ILE  27          1HD1      ILE  27  -5.590  -9.473   7.953
  215   2HD1  ILE  27          2HD1      ILE  27  -6.847 -10.260   8.912
  216   3HD1  ILE  27          3HD1      ILE  27  -6.994 -10.186   7.154
  217    H    TYR  28           H        TYR  28  -6.808  -4.506   8.682
  218    HA   TYR  28           HA       TYR  28  -5.899  -2.843   6.638
  219   1HB   TYR  28          1HB       TYR  28  -7.928  -2.436   7.968
  220   2HB   TYR  28          2HB       TYR  28  -6.928  -2.063   9.360
  221    HD1  TYR  28           HD1      TYR  28  -7.285  -1.008   5.803
  222    HD2  TYR  28           HD2      TYR  28  -6.589   0.166   9.826
  223    HE1  TYR  28           HE1      TYR  28  -7.218   1.349   5.094
  224    HE2  TYR  28           HE2      TYR  28  -6.524   2.526   9.137
  225    HH   TYR  28           HH       TYR  28  -7.728   3.719   6.556
  226    H    ARG  29           H        ARG  29  -4.867  -3.045  10.026
  227    HA   ARG  29           HA       ARG  29  -2.936  -1.052  10.014
  228   1HB   ARG  29          1HB       ARG  29  -3.065  -3.640  11.560
  229   2HB   ARG  29          2HB       ARG  29  -1.929  -2.349  11.907
  230   1HG   ARG  29          1HG       ARG  29  -4.923  -2.069  11.970
  231   2HG   ARG  29          2HG       ARG  29  -3.899  -2.332  13.380
  232   1HD   ARG  29          1HD       ARG  29  -2.732  -0.234  12.932
  233   2HD   ARG  29          2HD       ARG  29  -3.734   0.023  11.502
  234    HE   ARG  29           HE       ARG  29  -5.412  -0.304  13.719
  235   1HH1  ARG  29          1HH1      ARG  29  -3.081   1.967  12.469
  236   2HH1  ARG  29          2HH1      ARG  29  -3.826   3.339  13.221
  237   1HH2  ARG  29          1HH2      ARG  29  -6.395   1.497  14.710
  238   2HH2  ARG  29          2HH2      ARG  29  -5.706   3.071  14.494
  239    H    SER  30           H        SER  30  -2.437  -4.546   9.566
  240    HA   SER  30           HA       SER  30   0.276  -4.517   9.058
  241   1HB   SER  30          1HB       SER  30  -0.176  -6.643   7.745
  242   2HB   SER  30          2HB       SER  30  -0.800  -6.612   9.395
  243    HG   SER  30           HG       SER  30  -2.492  -7.299   8.234
  244    H    PHE  31           H        PHE  31  -2.371  -4.253   6.672
  245    HA   PHE  31           HA       PHE  31  -0.883  -4.119   4.350
  246   1HB   PHE  31          1HB       PHE  31  -3.260  -4.185   4.166
  247   2HB   PHE  31          2HB       PHE  31  -3.444  -2.719   5.126
  248    HD1  PHE  31           HD1      PHE  31  -1.898  -3.895   1.939
  249    HD2  PHE  31           HD2      PHE  31  -3.799  -0.720   4.044
  250    HE1  PHE  31           HE1      PHE  31  -1.917  -2.546  -0.119
  251    HE2  PHE  31           HE2      PHE  31  -3.828   0.629   1.989
  252    HZ   PHE  31           HZ       PHE  31  -2.887  -0.284  -0.096
  253    H    LEU  32           H        LEU  32  -1.721  -1.497   6.585
  254    HA   LEU  32           HA       LEU  32  -0.513   0.588   5.132
  255   1HB   LEU  32          1HB       LEU  32  -0.853   0.390   8.124
  256   2HB   LEU  32          2HB       LEU  32  -0.629   1.859   7.198
  257    HG   LEU  32           HG       LEU  32  -3.031   0.037   7.070
  258   1HD1  LEU  32          1HD1      LEU  32  -2.838   1.378   9.138
  259   2HD1  LEU  32          2HD1      LEU  32  -2.782   2.838   8.150
  260   3HD1  LEU  32          3HD1      LEU  32  -4.225   1.825   8.144
  261   1HD2  LEU  32          1HD2      LEU  32  -2.024   1.995   5.232
  262   2HD2  LEU  32          2HD2      LEU  32  -3.437   0.950   5.092
  263   3HD2  LEU  32          3HD2      LEU  32  -3.574   2.516   5.892
  264    H    GLU  33           H        GLU  33   0.689  -1.389   7.827
  265    HA   GLU  33           HA       GLU  33   3.213  -0.273   8.116
  266   1HB   GLU  33          1HB       GLU  33   2.408  -3.175   8.426
  267   2HB   GLU  33          2HB       GLU  33   3.886  -2.460   9.053
  268   1HG   GLU  33          1HG       GLU  33   1.099  -1.657   9.852
  269   2HG   GLU  33          2HG       GLU  33   2.153  -2.732  10.768
  270    H    ILE  34           H        ILE  34   1.980  -2.429   5.659
  271    HA   ILE  34           HA       ILE  34   4.412  -3.371   4.618
  272    HB   ILE  34           HB       ILE  34   1.808  -2.834   3.200
  273   1HG1  ILE  34          1HG1      ILE  34   2.985  -5.384   4.325
  274   2HG1  ILE  34          2HG1      ILE  34   1.710  -4.440   5.085
  275   1HG2  ILE  34          1HG2      ILE  34   4.388  -3.995   2.291
  276   2HG2  ILE  34          2HG2      ILE  34   2.896  -4.742   1.718
  277   3HG2  ILE  34          3HG2      ILE  34   3.204  -3.034   1.405
  278   1HD1  ILE  34          1HD1      ILE  34   1.124  -5.147   2.337
  279   2HD1  ILE  34          2HD1      ILE  34   1.356  -6.541   3.391
  280   3HD1  ILE  34          3HD1      ILE  34   0.146  -5.323   3.794
  281    H    LEU  35           H        LEU  35   2.417  -0.564   3.729
  282    HA   LEU  35           HA       LEU  35   4.204   0.448   1.771
  283   1HB   LEU  35          1HB       LEU  35   2.118   1.905   3.414
  284   2HB   LEU  35          2HB       LEU  35   2.881   2.516   1.952
  285    HG   LEU  35           HG       LEU  35   1.183   0.018   2.021
  286   1HD1  LEU  35          1HD1      LEU  35   0.440   2.870   1.839
  287   2HD1  LEU  35          2HD1      LEU  35  -0.319   1.786   0.673
  288   3HD1  LEU  35          3HD1      LEU  35  -0.494   1.483   2.402
  289   1HD2  LEU  35          1HD2      LEU  35   2.928   1.114   0.085
  290   2HD2  LEU  35          2HD2      LEU  35   1.841  -0.265  -0.079
  291   3HD2  LEU  35          3HD2      LEU  35   1.280   1.357  -0.493
  292    H    HIS  36           H        HIS  36   3.718   1.007   5.201
  293    HA   HIS  36           HA       HIS  36   5.535   3.106   5.574
  294   1HB   HIS  36          1HB       HIS  36   3.982   1.304   7.221
  295   2HB   HIS  36          2HB       HIS  36   5.571   1.562   7.921
  296    HD1  HIS  36           HD1      HIS  36   6.137   4.419   7.595
  297    HD2  HIS  36           HD2      HIS  36   2.290   3.056   8.356
  298    HE1  HIS  36           HE1      HIS  36   4.907   6.389   8.548
  299    HE2  HIS  36           HE2      HIS  36   2.602   5.520   9.080
  300    H    THR  37           H        THR  37   5.930  -0.382   5.535
  301    HA   THR  37           HA       THR  37   8.587  -0.529   6.429
  302    HB   THR  37           HB       THR  37   7.094  -2.358   4.531
  303    HG1  THR  37           HG1      THR  37   7.388  -3.533   6.812
  304   1HG2  THR  37          1HG2      THR  37   9.844  -2.317   5.116
  305   2HG2  THR  37          2HG2      THR  37   9.161  -3.645   6.057
  306   3HG2  THR  37          3HG2      THR  37   8.933  -3.595   4.307
  307    H    TYR  38           H        TYR  38   7.139   0.052   3.285
  308    HA   TYR  38           HA       TYR  38   9.418  -0.166   1.681
  309   1HB   TYR  38          1HB       TYR  38   7.181   0.004   0.736
  310   2HB   TYR  38          2HB       TYR  38   6.993   1.622   1.398
  311    HD1  TYR  38           HD1      TYR  38   9.206  -0.313  -0.898
  312    HD2  TYR  38           HD2      TYR  38   7.464   3.437   0.085
  313    HE1  TYR  38           HE1      TYR  38  10.153   0.654  -2.954
  314    HE2  TYR  38           HE2      TYR  38   8.408   4.421  -1.957
  315    HH   TYR  38           HH       TYR  38   9.166   3.279  -4.373
  316    H    GLN  39           H        GLN  39   7.902   2.807   2.962
  317    HA   GLN  39           HA       GLN  39   9.872   4.595   2.268
  318   1HB   GLN  39          1HB       GLN  39   7.750   4.506   4.339
  319   2HB   GLN  39          2HB       GLN  39   9.005   5.724   4.528
  320   1HG   GLN  39          1HG       GLN  39   6.911   6.387   3.266
  321   2HG   GLN  39          2HG       GLN  39   8.467   6.764   2.545
  322   2HE2  GLN  39          2HE2      GLN  39   8.647   6.373   0.514
  323   1HE2  GLN  39          1HE2      GLN  39   7.775   5.191  -0.395
  324    H    LYS  40           H        LYS  40   9.813   2.345   4.971
  325    HA   LYS  40           HA       LYS  40  11.848   3.503   6.520
  326   1HB   LYS  40          1HB       LYS  40  11.071   0.601   6.172
  327   2HB   LYS  40          2HB       LYS  40  12.205   1.173   7.386
  328   1HG   LYS  40          1HG       LYS  40   9.328   2.040   7.178
  329   2HG   LYS  40          2HG       LYS  40   9.937   0.798   8.274
  330   1HD   LYS  40          1HD       LYS  40  11.406   2.473   9.322
  331   2HD   LYS  40          2HD       LYS  40  10.746   3.705   8.245
  332   1HE   LYS  40          1HE       LYS  40   9.171   2.098  10.256
  333   2HE   LYS  40          2HE       LYS  40   9.699   3.767  10.463
  334   1HZ   LYS  40          1HZ       LYS  40   7.960   2.899   8.227
  335   2HZ   LYS  40          2HZ       LYS  40   7.346   3.453   9.702
  336   3HZ   LYS  40          3HZ       LYS  40   8.281   4.479   8.737
  337    H    GLU  41           H        GLU  41  12.311   0.526   4.630
  338    HA   GLU  41           HA       GLU  41  15.095   1.185   4.210
  339   1HB   GLU  41          1HB       GLU  41  13.465  -1.160   3.211
  340   2HB   GLU  41          2HB       GLU  41  15.213  -1.010   3.105
  341   1HG   GLU  41          1HG       GLU  41  15.373  -1.011   5.534
  342   2HG   GLU  41          2HG       GLU  41  13.619  -1.131   5.655
  343    H    GLN  42           H        GLN  42  13.305   3.036   3.013
  344    HA   GLN  42           HA       GLN  42  12.859   2.532   0.287
  345   1HB   GLN  42          1HB       GLN  42  12.367   4.897   0.163
  346   2HB   GLN  42          2HB       GLN  42  11.648   4.214   1.603
  347   1HG   GLN  42          1HG       GLN  42  13.469   5.130   2.946
  348   2HG   GLN  42          2HG       GLN  42  14.196   5.815   1.493
  349   2HE2  GLN  42          2HE2      GLN  42  10.963   6.024   1.028
  350   1HE2  GLN  42          1HE2      GLN  42  10.677   7.612   1.642
  351    H    LEU  43           H        LEU  43  14.068   5.340  -0.271
  352    HA   LEU  43           HA       LEU  43  16.289   4.487  -1.745
  353   1HB   LEU  43          1HB       LEU  43  16.271   7.307  -0.998
  354   2HB   LEU  43          2HB       LEU  43  16.313   6.573  -2.582
  355    HG   LEU  43           HG       LEU  43  13.842   6.969  -0.892
  356   1HD1  LEU  43          1HD1      LEU  43  14.921   8.421  -3.294
  357   2HD1  LEU  43          2HD1      LEU  43  13.242   8.537  -2.767
  358   3HD1  LEU  43          3HD1      LEU  43  14.538   9.080  -1.703
  359   1HD2  LEU  43          1HD2      LEU  43  14.280   5.094  -2.909
  360   2HD2  LEU  43          2HD2      LEU  43  12.724   5.615  -2.257
  361   3HD2  LEU  43          3HD2      LEU  43  13.394   6.407  -3.685
  362    H    HIS  44           H        HIS  44  17.465   7.224  -0.330
  363    HA   HIS  44           HA       HIS  44  19.094   7.720   1.172
  364   1HB   HIS  44          1HB       HIS  44  18.488   5.017   2.395
  365   2HB   HIS  44          2HB       HIS  44  19.448   6.292   3.134
  366    HD1  HIS  44           HD1      HIS  44  17.391   5.670   4.968
  367    HD2  HIS  44           HD2      HIS  44  16.487   8.027   1.666
  368    HE1  HIS  44           HE1      HIS  44  15.266   6.877   5.564
  369    HE2  HIS  44           HE2      HIS  44  14.754   8.321   3.564
  370    H    THR  45           H        THR  45  19.620   6.634  -1.303
  371    HA   THR  45           HA       THR  45  21.188   5.645  -2.588
  372    HB   THR  45           HB       THR  45  23.521   5.987  -1.888
  373    HG1  THR  45           HG1      THR  45  23.789   7.042   0.226
  374   1HG2  THR  45          1HG2      THR  45  21.479   8.028  -2.000
  375   2HG2  THR  45          2HG2      THR  45  22.834   8.538  -0.995
  376   3HG2  THR  45          3HG2      THR  45  23.114   8.039  -2.662
  377    H    LYS  46           H        LYS  46  23.652   4.358  -1.551
  378    HA   LYS  46           HA       LYS  46  22.475   1.738  -1.019
  379   1HB   LYS  46          1HB       LYS  46  25.190   2.602  -2.002
  380   2HB   LYS  46          2HB       LYS  46  24.849   0.946  -1.522
  381   1HG   LYS  46          1HG       LYS  46  24.676   1.170  -3.918
  382   2HG   LYS  46          2HG       LYS  46  23.089   0.825  -3.231
  383   1HD   LYS  46          1HD       LYS  46  22.544   3.227  -3.355
  384   2HD   LYS  46          2HD       LYS  46  24.116   3.528  -4.100
  385   1HE   LYS  46          1HE       LYS  46  23.511   2.086  -5.974
  386   2HE   LYS  46          2HE       LYS  46  21.950   1.755  -5.225
  387   1HZ   LYS  46          1HZ       LYS  46  21.922   4.416  -5.287
  388   2HZ   LYS  46          2HZ       LYS  46  22.852   4.107  -6.665
  389   3HZ   LYS  46          3HZ       LYS  46  21.299   3.449  -6.528
  390    H    GLY  47           H        GLY  47  23.265   0.359   0.626
  391   1HA   GLY  47          1HA       GLY  47  23.440   1.318   3.147
  392   2HA   GLY  47          2HA       GLY  47  25.109   1.390   2.599
  393    H    ARG  48           H        ARG  48  23.296  -0.353   4.499
  394    HA   ARG  48           HA       ARG  48  24.924  -2.605   4.542
  395   1HB   ARG  48          1HB       ARG  48  22.085  -2.317   5.536
  396   2HB   ARG  48          2HB       ARG  48  23.172  -3.628   5.964
  397   1HG   ARG  48          1HG       ARG  48  24.704  -2.005   6.987
  398   2HG   ARG  48          2HG       ARG  48  23.563  -0.715   6.599
  399   1HD   ARG  48          1HD       ARG  48  21.865  -1.799   7.984
  400   2HD   ARG  48          2HD       ARG  48  22.997  -3.096   8.361
  401    HE   ARG  48           HE       ARG  48  22.820  -0.612   9.667
  402   1HH1  ARG  48          1HH1      ARG  48  25.205  -2.848   8.449
  403   2HH1  ARG  48          2HH1      ARG  48  26.420  -2.369   9.587
  404   1HH2  ARG  48          1HH2      ARG  48  24.413   0.019  11.168
  405   2HH2  ARG  48          2HH2      ARG  48  25.970  -0.740  11.132
  406    HA   PRO  49           HA       PRO  49  23.675  -5.118   1.133
  407   1HB   PRO  49          1HB       PRO  49  24.010  -7.598   2.316
  408   2HB   PRO  49          2HB       PRO  49  25.303  -6.648   1.580
  409   1HG   PRO  49          1HG       PRO  49  24.531  -6.889   4.458
  410   2HG   PRO  49          2HG       PRO  49  26.148  -6.833   3.731
  411   1HD   PRO  49          1HD       PRO  49  25.095  -4.687   4.926
  412   2HD   PRO  49          2HD       PRO  49  26.079  -4.526   3.456
  413    H    PHE  50           H        PHE  50  21.751  -5.766   0.406
  414    HA   PHE  50           HA       PHE  50  19.943  -7.412   1.807
  415   1HB   PHE  50          1HB       PHE  50  19.587  -5.383   3.158
  416   2HB   PHE  50          2HB       PHE  50  19.183  -4.483   1.700
  417    HD1  PHE  50           HD1      PHE  50  18.145  -7.845   2.952
  418    HD2  PHE  50           HD2      PHE  50  16.954  -3.940   1.747
  419    HE1  PHE  50           HE1      PHE  50  15.784  -8.489   3.209
  420    HE2  PHE  50           HE2      PHE  50  14.592  -4.578   2.003
  421    HZ   PHE  50           HZ       PHE  50  14.004  -6.855   2.735
  422    H    ARG  51           H        ARG  51  18.201  -8.057   0.525
  423    HA   ARG  51           HA       ARG  51  18.566  -7.974  -2.234
  424   1HB   ARG  51          1HB       ARG  51  17.300  -9.726  -1.004
  425   2HB   ARG  51          2HB       ARG  51  16.004  -8.569  -0.762
  426   1HG   ARG  51          1HG       ARG  51  15.405  -9.987  -2.549
  427   2HG   ARG  51          2HG       ARG  51  15.789  -8.409  -3.234
  428   1HD   ARG  51          1HD       ARG  51  17.709 -10.732  -3.130
  429   2HD   ARG  51          2HD       ARG  51  16.691 -10.357  -4.519
  430    HE   ARG  51           HE       ARG  51  18.144  -8.062  -3.864
  431   1HH1  ARG  51          1HH1      ARG  51  18.698 -11.288  -5.062
  432   2HH1  ARG  51          2HH1      ARG  51  20.109 -10.848  -5.965
  433   1HH2  ARG  51          1HH2      ARG  51  20.001  -7.474  -5.053
  434   2HH2  ARG  51          2HH2      ARG  51  20.847  -8.682  -5.963
  435    H    GLY  52           H        GLY  52  17.429  -5.595  -0.252
  436   1HA   GLY  52          1HA       GLY  52  16.817  -3.834  -2.398
  437   2HA   GLY  52          2HA       GLY  52  16.614  -3.491  -0.684
  438    H    MET  53           H        MET  53  14.674  -2.656  -0.540
  439    HA   MET  53           HA       MET  53  12.409  -4.335  -1.318
  440   1HB   MET  53          1HB       MET  53  12.647  -3.662   1.044
  441   2HB   MET  53          2HB       MET  53  12.522  -1.978   0.560
  442   1HG   MET  53          1HG       MET  53  10.272  -2.382  -0.298
  443   2HG   MET  53          2HG       MET  53  10.390  -4.070   0.192
  444   1HE   MET  53          1HE       MET  53   8.134  -3.155   0.807
  445   2HE   MET  53          2HE       MET  53   7.983  -3.649   2.494
  446   3HE   MET  53          3HE       MET  53   7.808  -1.950   2.052
  447    H    SER  54           H        SER  54  10.626  -3.487  -2.415
  448    HA   SER  54           HA       SER  54  10.570  -0.776  -3.328
  449   1HB   SER  54          1HB       SER  54  10.792  -1.283  -5.738
  450   2HB   SER  54          2HB       SER  54  12.276  -1.639  -4.856
  451    HG   SER  54           HG       SER  54  11.414  -3.273  -6.416
  452    H    GLU  55           H        GLU  55   9.113  -1.607  -5.798
  453    HA   GLU  55           HA       GLU  55   6.520  -1.738  -4.668
  454   1HB   GLU  55          1HB       GLU  55   7.398  -2.150  -7.532
  455   2HB   GLU  55          2HB       GLU  55   5.740  -1.904  -7.003
  456   1HG   GLU  55          1HG       GLU  55   6.539   0.163  -7.850
  457   2HG   GLU  55          2HG       GLU  55   6.431   0.313  -6.097
  458    H    GLU  56           H        GLU  56   8.707  -4.134  -5.987
  459    HA   GLU  56           HA       GLU  56   6.880  -6.230  -6.356
  460   1HB   GLU  56          1HB       GLU  56   8.857  -7.715  -6.226
  461   2HB   GLU  56          2HB       GLU  56   9.098  -6.344  -7.299
  462   1HG   GLU  56          1HG       GLU  56  10.372  -5.203  -5.555
  463   2HG   GLU  56          2HG       GLU  56  10.133  -6.581  -4.481
  464    H    GLU  57           H        GLU  57   8.900  -5.433  -3.522
  465    HA   GLU  57           HA       GLU  57   7.973  -7.602  -1.956
  466   1HB   GLU  57          1HB       GLU  57  10.057  -6.530  -1.395
  467   2HB   GLU  57          2HB       GLU  57   9.250  -4.987  -1.151
  468   1HG   GLU  57          1HG       GLU  57   8.223  -5.712   0.831
  469   2HG   GLU  57          2HG       GLU  57   8.588  -7.406   0.498
  470    H    VAL  58           H        VAL  58   7.027  -4.173  -2.050
  471    HA   VAL  58           HA       VAL  58   5.113  -4.258  -0.016
  472    HB   VAL  58           HB       VAL  58   5.072  -2.553  -2.513
  473   1HG1  VAL  58          1HG1      VAL  58   2.967  -2.819  -0.966
  474   2HG1  VAL  58          2HG1      VAL  58   3.866  -1.719   0.081
  475   3HG1  VAL  58          3HG1      VAL  58   3.454  -1.233  -1.563
  476   1HG2  VAL  58          1HG2      VAL  58   7.123  -2.510  -0.942
  477   2HG2  VAL  58          2HG2      VAL  58   6.379  -0.981  -1.410
  478   3HG2  VAL  58          3HG2      VAL  58   6.048  -1.674   0.178
  479    H    PHE  59           H        PHE  59   4.829  -4.901  -3.476
  480    HA   PHE  59           HA       PHE  59   2.049  -5.301  -3.564
  481   1HB   PHE  59          1HB       PHE  59   3.341  -4.933  -5.588
  482   2HB   PHE  59          2HB       PHE  59   4.245  -6.416  -5.318
  483    HD1  PHE  59           HD1      PHE  59   0.590  -5.641  -5.223
  484    HD2  PHE  59           HD2      PHE  59   3.734  -7.918  -6.971
  485    HE1  PHE  59           HE1      PHE  59  -1.058  -6.886  -6.562
  486    HE2  PHE  59           HE2      PHE  59   2.091  -9.163  -8.314
  487    HZ   PHE  59           HZ       PHE  59  -0.307  -8.648  -8.109
  488    H    THR  60           H        THR  60   4.729  -7.494  -2.928
  489    HA   THR  60           HA       THR  60   3.225  -9.879  -2.943
  490    HB   THR  60           HB       THR  60   5.809  -9.282  -1.488
  491    HG1  THR  60           HG1      THR  60   6.066 -10.817  -3.676
  492   1HG2  THR  60          1HG2      THR  60   4.134 -11.546  -1.337
  493   2HG2  THR  60          2HG2      THR  60   5.513 -12.002  -2.337
  494   3HG2  THR  60          3HG2      THR  60   5.773 -11.368  -0.712
  495    H    GLU  61           H        GLU  61   4.301  -7.823  -0.240
  496    HA   GLU  61           HA       GLU  61   3.220  -9.312   1.841
  497   1HB   GLU  61          1HB       GLU  61   3.566  -6.315   1.663
  498   2HB   GLU  61          2HB       GLU  61   3.303  -7.220   3.148
  499   1HG   GLU  61          1HG       GLU  61   5.670  -7.525   1.312
  500   2HG   GLU  61          2HG       GLU  61   5.652  -6.625   2.827
  501    H    VAL  62           H        VAL  62   1.754  -6.691  -0.059
  502    HA   VAL  62           HA       VAL  62  -0.699  -6.629   1.345
  503    HB   VAL  62           HB       VAL  62  -0.154  -5.877  -1.536
  504   1HG1  VAL  62          1HG1      VAL  62  -2.600  -6.218  -0.397
  505   2HG1  VAL  62          2HG1      VAL  62  -2.292  -4.514  -0.061
  506   3HG1  VAL  62          3HG1      VAL  62  -2.256  -5.106  -1.721
  507   1HG2  VAL  62          1HG2      VAL  62   1.201  -4.716   0.261
  508   2HG2  VAL  62          2HG2      VAL  62   0.244  -3.670  -0.788
  509   3HG2  VAL  62          3HG2      VAL  62  -0.322  -4.040   0.840
  510    H    ALA  63           H        ALA  63   0.425  -8.426  -1.483
  511    HA   ALA  63           HA       ALA  63  -2.022  -9.627  -2.183
  512   1HB   ALA  63          1HB       ALA  63  -0.610 -11.319  -3.332
  513   2HB   ALA  63          2HB       ALA  63   0.809 -10.590  -2.582
  514   3HB   ALA  63          3HB       ALA  63  -0.166  -9.657  -3.717
  515    H    ASN  64           H        ASN  64   0.561 -10.580   0.012
  516    HA   ASN  64           HA       ASN  64  -0.406 -13.122   0.716
  517   1HB   ASN  64          1HB       ASN  64   1.370 -11.147   2.159
  518   2HB   ASN  64          2HB       ASN  64   1.002 -12.744   2.808
  519   2HD2  ASN  64          2HD2      ASN  64   3.332 -11.121   1.337
  520   1HD2  ASN  64          1HD2      ASN  64   4.045 -12.367   0.375
  521    H    LEU  65           H        LEU  65  -0.981  -9.915   2.069
  522    HA   LEU  65           HA       LEU  65  -2.538 -10.735   4.284
  523   1HB   LEU  65          1HB       LEU  65  -1.854  -8.246   2.895
  524   2HB   LEU  65          2HB       LEU  65  -3.419  -8.225   3.673
  525    HG   LEU  65           HG       LEU  65  -0.835  -8.883   5.075
  526   1HD1  LEU  65          1HD1      LEU  65  -1.667  -6.428   4.129
  527   2HD1  LEU  65          2HD1      LEU  65  -2.194  -6.429   5.813
  528   3HD1  LEU  65          3HD1      LEU  65  -0.496  -6.706   5.418
  529   1HD2  LEU  65          1HD2      LEU  65  -3.693  -8.625   5.936
  530   2HD2  LEU  65          2HD2      LEU  65  -2.523  -9.887   6.322
  531   3HD2  LEU  65          3HD2      LEU  65  -2.379  -8.295   7.066
  532    H    PHE  66           H        PHE  66  -3.571  -9.022   1.368
  533    HA   PHE  66           HA       PHE  66  -6.323  -9.655   1.733
  534   1HB   PHE  66          1HB       PHE  66  -4.845  -8.518  -0.644
  535   2HB   PHE  66          2HB       PHE  66  -6.593  -8.596  -0.500
  536    HD1  PHE  66           HD1      PHE  66  -5.304  -7.905   2.695
  537    HD2  PHE  66           HD2      PHE  66  -6.032  -6.092  -1.092
  538    HE1  PHE  66           HE1      PHE  66  -5.322  -5.688   3.760
  539    HE2  PHE  66           HE2      PHE  66  -6.057  -3.876  -0.027
  540    HZ   PHE  66           HZ       PHE  66  -5.700  -3.672   2.401
  541    H    ARG  67           H        ARG  67  -4.793 -12.062   1.635
  542    HA   ARG  67           HA       ARG  67  -4.778 -13.313  -0.864
  543   1HB   ARG  67          1HB       ARG  67  -3.629 -14.237   1.097
  544   2HB   ARG  67          2HB       ARG  67  -5.179 -14.544   1.873
  545   1HG   ARG  67          1HG       ARG  67  -4.275 -16.589   0.956
  546   2HG   ARG  67          2HG       ARG  67  -5.745 -16.133   0.091
  547   1HD   ARG  67          1HD       ARG  67  -4.386 -15.181  -1.709
  548   2HD   ARG  67          2HD       ARG  67  -2.919 -15.637  -0.844
  549    HE   ARG  67           HE       ARG  67  -4.445 -17.298  -2.527
  550   1HH1  ARG  67          1HH1      ARG  67  -2.736 -17.375   0.516
  551   2HH1  ARG  67          2HH1      ARG  67  -2.420 -19.076   0.438
  552   1HH2  ARG  67          1HH2      ARG  67  -4.023 -19.535  -2.632
  553   2HH2  ARG  67          2HH2      ARG  67  -3.147 -20.300  -1.349
  554    H    GLY  68           H        GLY  68  -6.325 -14.216  -2.101
  555   1HA   GLY  68          1HA       GLY  68  -8.910 -14.925  -0.994
  556   2HA   GLY  68          2HA       GLY  68  -8.391 -15.141  -2.660
  557    H    GLN  69           H        GLN  69  -8.432 -12.202  -0.675
  558    HA   GLN  69           HA       GLN  69 -10.703 -11.103  -2.063
  559   1HB   GLN  69          1HB       GLN  69  -8.795  -9.950  -0.026
  560   2HB   GLN  69          2HB       GLN  69 -10.133  -9.044  -0.716
  561   1HG   GLN  69          1HG       GLN  69 -10.813  -9.858   1.405
  562   2HG   GLN  69          2HG       GLN  69 -11.679 -10.769   0.174
  563   2HE2  GLN  69          2HE2      GLN  69  -9.856 -10.956   2.953
  564   1HE2  GLN  69          1HE2      GLN  69  -9.490 -12.644   2.922
  565    H    GLU  70           H        GLU  70  -8.990 -11.706  -4.006
  566    HA   GLU  70           HA       GLU  70  -7.045  -9.811  -4.683
  567   1HB   GLU  70          1HB       GLU  70  -8.711 -11.546  -6.514
  568   2HB   GLU  70          2HB       GLU  70  -7.225 -10.720  -6.964
  569   1HG   GLU  70          1HG       GLU  70  -5.989 -12.048  -5.331
  570   2HG   GLU  70          2HG       GLU  70  -7.477 -12.874  -4.877
  571    H    ASP  71           H        ASP  71 -10.316  -9.277  -4.402
  572    HA   ASP  71           HA       ASP  71 -10.909  -7.707  -6.655
  573   1HB   ASP  71          1HB       ASP  71 -12.626  -8.516  -5.101
  574   2HB   ASP  71          2HB       ASP  71 -11.986  -7.459  -3.852
  575    H    LEU  72           H        LEU  72  -9.745  -6.796  -3.435
  576    HA   LEU  72           HA       LEU  72  -9.402  -4.038  -4.066
  577   1HB   LEU  72          1HB       LEU  72  -8.187  -5.708  -1.859
  578   2HB   LEU  72          2HB       LEU  72  -8.149  -3.956  -1.939
  579    HG   LEU  72           HG       LEU  72 -10.683  -5.585  -1.761
  580   1HD1  LEU  72          1HD1      LEU  72  -8.822  -4.577   0.300
  581   2HD1  LEU  72          2HD1      LEU  72 -10.539  -4.295   0.589
  582   3HD1  LEU  72          3HD1      LEU  72  -9.944  -5.937   0.346
  583   1HD2  LEU  72          1HD2      LEU  72 -10.614  -3.203  -2.787
  584   2HD2  LEU  72          2HD2      LEU  72 -11.829  -3.581  -1.566
  585   3HD2  LEU  72          3HD2      LEU  72 -10.382  -2.676  -1.119
  586    H    LEU  73           H        LEU  73  -7.374  -6.892  -4.124
  587    HA   LEU  73           HA       LEU  73  -4.862  -5.801  -4.406
  588   1HB   LEU  73          1HB       LEU  73  -6.122  -8.293  -4.586
  589   2HB   LEU  73          2HB       LEU  73  -5.288  -8.088  -6.096
  590    HG   LEU  73           HG       LEU  73  -3.742  -9.216  -4.761
  591   1HD1  LEU  73          1HD1      LEU  73  -2.868  -7.071  -5.795
  592   2HD1  LEU  73          2HD1      LEU  73  -2.969  -6.377  -4.175
  593   3HD1  LEU  73          3HD1      LEU  73  -1.919  -7.763  -4.478
  594   1HD2  LEU  73          1HD2      LEU  73  -5.175  -8.727  -2.693
  595   2HD2  LEU  73          2HD2      LEU  73  -3.441  -8.957  -2.476
  596   3HD2  LEU  73          3HD2      LEU  73  -4.120  -7.329  -2.471
  597    H    SER  74           H        SER  74  -7.369  -6.430  -6.797
  598    HA   SER  74           HA       SER  74  -5.958  -5.907  -9.132
  599   1HB   SER  74          1HB       SER  74  -8.238  -6.861  -9.058
  600   2HB   SER  74          2HB       SER  74  -8.866  -5.294  -8.546
  601    HG   SER  74           HG       SER  74  -7.764  -6.036 -11.034
  602    H    GLU  75           H        GLU  75  -7.594  -3.706  -6.903
  603    HA   GLU  75           HA       GLU  75  -7.179  -1.380  -8.491
  604   1HB   GLU  75          1HB       GLU  75  -7.888  -1.749  -5.594
  605   2HB   GLU  75          2HB       GLU  75  -7.740  -0.169  -6.355
  606   1HG   GLU  75          1HG       GLU  75  -9.631  -2.349  -7.203
  607   2HG   GLU  75          2HG       GLU  75 -10.047  -0.929  -6.260
  608    H    PHE  76           H        PHE  76  -5.422  -2.909  -5.842
  609    HA   PHE  76           HA       PHE  76  -3.574  -0.886  -5.310
  610   1HB   PHE  76          1HB       PHE  76  -3.865  -2.940  -3.937
  611   2HB   PHE  76          2HB       PHE  76  -3.090  -3.873  -5.212
  612    HD1  PHE  76           HD1      PHE  76  -2.131  -0.522  -3.927
  613    HD2  PHE  76           HD2      PHE  76  -1.156  -4.658  -4.180
  614    HE1  PHE  76           HE1      PHE  76   0.064  -0.063  -2.917
  615    HE2  PHE  76           HE2      PHE  76   1.039  -4.206  -3.167
  616    HZ   PHE  76           HZ       PHE  76   1.653  -1.904  -2.535
  617    H    GLY  77           H        GLY  77  -3.513  -3.499  -7.685
  618   1HA   GLY  77          1HA       GLY  77  -2.237  -3.842  -9.555
  619   2HA   GLY  77          2HA       GLY  77  -0.929  -3.042  -8.696
  620    H    GLN  78           H        GLN  78  -4.000  -1.508  -9.382
  621    HA   GLN  78           HA       GLN  78  -3.540  -0.311 -11.816
  622   1HB   GLN  78          1HB       GLN  78  -4.917   0.950  -9.438
  623   2HB   GLN  78          2HB       GLN  78  -5.112   1.432 -11.115
  624   1HG   GLN  78          1HG       GLN  78  -5.839  -1.279 -10.037
  625   2HG   GLN  78          2HG       GLN  78  -6.970   0.059 -10.223
  626   2HE2  GLN  78          2HE2      GLN  78  -8.185  -0.156 -11.935
  627   1HE2  GLN  78          1HE2      GLN  78  -7.710  -0.825 -13.455
  628    H    PHE  79           H        PHE  79  -2.655   0.940  -8.604
  629    HA   PHE  79           HA       PHE  79  -1.385   3.275  -9.613
  630   1HB   PHE  79          1HB       PHE  79  -1.201   1.887  -6.934
  631   2HB   PHE  79          2HB       PHE  79  -0.395   3.409  -7.294
  632    HD1  PHE  79           HD1      PHE  79  -3.832   2.001  -7.789
  633    HD2  PHE  79           HD2      PHE  79  -1.431   5.235  -6.413
  634    HE1  PHE  79           HE1      PHE  79  -5.862   3.230  -7.146
  635    HE2  PHE  79           HE2      PHE  79  -3.459   6.468  -5.765
  636    HZ   PHE  79           HZ       PHE  79  -5.678   5.466  -6.131
  637    H    LEU  80           H        LEU  80  -0.222   0.104  -8.566
  638    HA   LEU  80           HA       LEU  80   2.527   0.604  -8.802
  639   1HB   LEU  80          1HB       LEU  80   1.079  -2.006  -9.261
  640   2HB   LEU  80          2HB       LEU  80   2.784  -1.820  -8.899
  641    HG   LEU  80           HG       LEU  80   0.504  -1.147  -7.035
  642   1HD1  LEU  80          1HD1      LEU  80   1.857  -3.599  -7.615
  643   2HD1  LEU  80          2HD1      LEU  80   2.227  -3.093  -5.965
  644   3HD1  LEU  80          3HD1      LEU  80   0.549  -3.290  -6.472
  645   1HD2  LEU  80          1HD2      LEU  80   3.020  -0.032  -7.067
  646   2HD2  LEU  80          2HD2      LEU  80   1.946  -0.127  -5.671
  647   3HD2  LEU  80          3HD2      LEU  80   3.182  -1.359  -5.917
  648    HA   PRO  81           HA       PRO  81   2.902   0.957 -13.227
  649   1HB   PRO  81          1HB       PRO  81   5.748   0.470 -12.868
  650   2HB   PRO  81          2HB       PRO  81   4.932   1.929 -13.423
  651   1HG   PRO  81          1HG       PRO  81   6.160   1.772 -11.017
  652   2HG   PRO  81          2HG       PRO  81   4.732   2.785 -11.301
  653   1HD   PRO  81          1HD       PRO  81   4.930   0.107  -9.982
  654   2HD   PRO  81          2HD       PRO  81   3.930   1.509  -9.547
  655    H    GLU  82           H        GLU  82   4.549  -0.236 -14.883
  656    HA   GLU  82           HA       GLU  82   5.147  -2.139 -15.966
  657   1HB   GLU  82          1HB       GLU  82   6.270  -2.830 -13.914
  658   2HB   GLU  82          2HB       GLU  82   4.760  -3.470 -13.283
  659   1HG   GLU  82          1HG       GLU  82   4.703  -5.126 -15.069
  660   2HG   GLU  82          2HG       GLU  82   6.205  -4.477 -15.724
  661    H    ALA  83           H        ALA  83   2.319  -2.461 -13.854
  662    HA   ALA  83           HA       ALA  83   1.090  -4.558 -15.291
  663   1HB   ALA  83          1HB       ALA  83   0.523  -3.938 -12.966
  664   2HB   ALA  83          2HB       ALA  83  -0.240  -2.468 -13.572
  665   3HB   ALA  83          3HB       ALA  83  -0.891  -4.046 -14.014
  666    H    LYS  84           H        LYS  84  -1.560  -3.166 -15.445
  667    HA   LYS  84           HA       LYS  84  -2.884  -2.169 -16.992
  668   1HB   LYS  84          1HB       LYS  84  -0.386  -0.586 -17.624
  669   2HB   LYS  84          2HB       LYS  84  -2.000  -0.202 -18.206
  670   1HG   LYS  84          1HG       LYS  84  -1.147  -0.255 -15.318
  671   2HG   LYS  84          2HG       LYS  84  -1.360   1.191 -16.307
  672   1HD   LYS  84          1HD       LYS  84  -3.727   0.639 -16.600
  673   2HD   LYS  84          2HD       LYS  84  -3.514  -0.809 -15.615
  674   1HE   LYS  84          1HE       LYS  84  -4.489   0.989 -14.298
  675   2HE   LYS  84          2HE       LYS  84  -2.877   0.588 -13.708
  676   1HZ   LYS  84          1HZ       LYS  84  -3.207   2.756 -15.666
  677   2HZ   LYS  84          2HZ       LYS  84  -3.551   3.049 -14.036
  678   3HZ   LYS  84          3HZ       LYS  84  -2.003   2.544 -14.497
  679    H    ARG  85           H        ARG  85  -3.610  -2.759 -18.951
  680    HA   ARG  85           HA       ARG  85  -1.739  -3.561 -21.038
  681   1HB   ARG  85          1HB       ARG  85  -3.840  -5.419 -19.906
  682   2HB   ARG  85          2HB       ARG  85  -2.948  -5.712 -21.391
  683   1HG   ARG  85          1HG       ARG  85  -1.707  -5.438 -18.661
  684   2HG   ARG  85          2HG       ARG  85  -2.064  -6.966 -19.470
  685   1HD   ARG  85          1HD       ARG  85  -0.557  -6.351 -21.295
  686   2HD   ARG  85          2HD       ARG  85  -0.206  -4.820 -20.492
  687    HE   ARG  85           HE       ARG  85   0.364  -6.915 -18.720
  688   1HH1  ARG  85          1HH1      ARG  85   1.542  -5.557 -21.706
  689   2HH1  ARG  85          2HH1      ARG  85   3.176  -6.067 -21.443
  690   1HH2  ARG  85          1HH2      ARG  85   2.515  -7.588 -18.364
  691   2HH2  ARG  85          2HH2      ARG  85   3.729  -7.221 -19.544
  692    H1   ASN   1           H1       ASN   1   4.677   6.414  -5.698
  693    H2   ASN   1           H2       ASN   1   4.581   6.544  -7.381
  694    H3   ASN   1           H3       ASN   1   4.044   7.816  -6.402
  695    HA   ASN   1           HA       ASN   1   2.033   6.947  -6.713
  696   1HB   ASN   1          1HB       ASN   1   1.713   4.591  -7.447
  697   2HB   ASN   1          2HB       ASN   1   2.824   5.485  -8.479
  698   2HD2  ASN   1          2HD2      ASN   1   2.338   2.611  -7.048
  699   1HD2  ASN   1          1HD2      ASN   1   3.969   2.059  -6.907
  700    H    ILE   2           H        ILE   2   4.185   4.730  -4.967
  701    HA   ILE   2           HA       ILE   2   2.249   3.731  -3.185
  702    HB   ILE   2           HB       ILE   2   5.242   3.960  -2.855
  703   1HG1  ILE   2          1HG1      ILE   2   4.584   2.533  -4.714
  704   2HG1  ILE   2          2HG1      ILE   2   5.198   1.543  -3.393
  705   1HG2  ILE   2          1HG2      ILE   2   3.143   2.928  -1.046
  706   2HG2  ILE   2          2HG2      ILE   2   4.602   1.951  -1.214
  707   3HG2  ILE   2          3HG2      ILE   2   4.720   3.627  -0.677
  708   1HD1  ILE   2          1HD1      ILE   2   2.505   1.628  -2.886
  709   2HD1  ILE   2          2HD1      ILE   2   2.580   1.568  -4.646
  710   3HD1  ILE   2          3HD1      ILE   2   3.370   0.315  -3.688
  711    H    GLN   3           H        GLN   3   4.407   6.518  -3.002
  712    HA   GLN   3           HA       GLN   3   4.034   7.224  -0.345
  713   1HB   GLN   3          1HB       GLN   3   4.647   9.507  -1.034
  714   2HB   GLN   3          2HB       GLN   3   5.704   8.301  -1.751
  715   1HG   GLN   3          1HG       GLN   3   5.315   9.723  -3.512
  716   2HG   GLN   3          2HG       GLN   3   4.116   8.463  -3.781
  717   2HE2  GLN   3          2HE2      GLN   3   3.325  10.405  -1.142
  718   1HE2  GLN   3          1HE2      GLN   3   2.195  11.447  -1.928
  719    H    MET   4           H        MET   4   1.993   7.741  -3.136
  720    HA   MET   4           HA       MET   4   0.224   9.622  -2.031
  721   1HB   MET   4          1HB       MET   4   0.363   9.099  -4.440
  722   2HB   MET   4          2HB       MET   4  -0.330   7.514  -4.128
  723   1HG   MET   4          1HG       MET   4  -2.373   8.613  -3.289
  724   2HG   MET   4          2HG       MET   4  -1.674  10.174  -3.715
  725   1HE   MET   4          1HE       MET   4  -0.321  10.190  -5.899
  726   2HE   MET   4          2HE       MET   4  -0.624   9.144  -7.287
  727   3HE   MET   4          3HE       MET   4  -1.528  10.648  -7.101
  728    H    LEU   5           H        LEU   5  -0.027   6.065  -2.233
  729    HA   LEU   5           HA       LEU   5  -2.482   5.933  -0.815
  730   1HB   LEU   5          1HB       LEU   5  -0.381   3.800  -1.224
  731   2HB   LEU   5          2HB       LEU   5  -2.005   3.520  -0.625
  732    HG   LEU   5           HG       LEU   5  -1.245   4.468  -3.388
  733   1HD1  LEU   5          1HD1      LEU   5  -1.166   1.953  -2.489
  734   2HD1  LEU   5          2HD1      LEU   5  -2.879   2.053  -2.901
  735   3HD1  LEU   5          3HD1      LEU   5  -1.657   2.371  -4.132
  736   1HD2  LEU   5          1HD2      LEU   5  -3.859   4.391  -1.958
  737   2HD2  LEU   5          2HD2      LEU   5  -3.228   5.586  -3.091
  738   3HD2  LEU   5          3HD2      LEU   5  -3.809   4.030  -3.683
  739    H    LEU   6           H        LEU   6   0.885   5.425   0.162
  740    HA   LEU   6           HA       LEU   6   0.453   4.705   2.817
  741   1HB   LEU   6          1HB       LEU   6   2.619   4.489   1.760
  742   2HB   LEU   6          2HB       LEU   6   2.730   6.224   1.548
  743    HG   LEU   6           HG       LEU   6   2.851   6.506   3.996
  744   1HD1  LEU   6          1HD1      LEU   6   1.626   4.273   4.391
  745   2HD1  LEU   6          2HD1      LEU   6   3.227   3.547   4.238
  746   3HD1  LEU   6          3HD1      LEU   6   2.916   4.739   5.501
  747   1HD2  LEU   6          1HD2      LEU   6   4.833   4.897   2.465
  748   2HD2  LEU   6          2HD2      LEU   6   4.957   6.535   3.110
  749   3HD2  LEU   6          3HD2      LEU   6   5.094   5.149   4.193
  750    H    GLU   7           H        GLU   7   0.846   7.901   1.351
  751    HA   GLU   7           HA       GLU   7   0.675   9.362   3.777
  752   1HB   GLU   7          1HB       GLU   7   1.680  10.307   1.751
  753   2HB   GLU   7          2HB       GLU   7   0.127  10.234   0.930
  754   1HG   GLU   7          1HG       GLU   7   0.547  12.485   1.638
  755   2HG   GLU   7          2HG       GLU   7  -0.789  11.822   2.579
  756    H    ALA   8           H        ALA   8  -1.671   8.353   1.357
  757    HA   ALA   8           HA       ALA   8  -3.893   9.798   2.218
  758   1HB   ALA   8          1HB       ALA   8  -3.753   7.072   0.935
  759   2HB   ALA   8          2HB       ALA   8  -3.903   8.626   0.114
  760   3HB   ALA   8          3HB       ALA   8  -5.226   8.026   1.111
  761    H    ALA   9           H        ALA   9  -2.624   6.686   3.307
  762    HA   ALA   9           HA       ALA   9  -4.753   5.964   4.988
  763   1HB   ALA   9          1HB       ALA   9  -1.942   5.145   4.638
  764   2HB   ALA   9          2HB       ALA   9  -3.408   4.170   4.737
  765   3HB   ALA   9          3HB       ALA   9  -2.660   4.791   6.209
  766    H    ASP  10           H        ASP  10  -1.843   7.894   5.598
  767    HA   ASP  10           HA       ASP  10  -2.181   8.154   8.388
  768   1HB   ASP  10          1HB       ASP  10  -0.069   8.675   7.199
  769   2HB   ASP  10          2HB       ASP  10  -0.841  10.079   6.472
  770    H    TYR  11           H        TYR  11  -3.242  10.158   5.672
  771    HA   TYR  11           HA       TYR  11  -4.431  12.224   7.185
  772   1HB   TYR  11          1HB       TYR  11  -3.992  12.614   4.869
  773   2HB   TYR  11          2HB       TYR  11  -4.916  11.195   4.388
  774    HD1  TYR  11           HD1      TYR  11  -5.224  14.593   5.832
  775    HD2  TYR  11           HD2      TYR  11  -7.237  11.330   3.972
  776    HE1  TYR  11           HE1      TYR  11  -7.220  15.995   5.547
  777    HE2  TYR  11           HE2      TYR  11  -9.234  12.732   3.675
  778    HH   TYR  11           HH       TYR  11 -10.118  14.759   3.904
  779    H    LEU  12           H        LEU  12  -5.925   9.547   5.435
  780    HA   LEU  12           HA       LEU  12  -8.532   9.875   6.324
  781   1HB   LEU  12          1HB       LEU  12  -7.676   8.467   4.426
  782   2HB   LEU  12          2HB       LEU  12  -7.205   7.265   5.614
  783    HG   LEU  12           HG       LEU  12  -9.622   7.151   6.317
  784   1HD1  LEU  12          1HD1      LEU  12  -9.775   9.333   4.463
  785   2HD1  LEU  12          2HD1      LEU  12 -10.824   8.014   3.932
  786   3HD1  LEU  12          3HD1      LEU  12 -11.015   8.699   5.547
  787   1HD2  LEU  12          1HD2      LEU  12  -8.261   5.977   4.151
  788   2HD2  LEU  12          2HD2      LEU  12  -9.651   5.340   5.034
  789   3HD2  LEU  12          3HD2      LEU  12  -9.900   6.322   3.589
  790    H    GLU  13           H        GLU  13  -5.852   8.099   7.752
  791    HA   GLU  13           HA       GLU  13  -5.551   7.107   9.772
  792   1HB   GLU  13          1HB       GLU  13  -7.834   8.919  10.577
  793   2HB   GLU  13          2HB       GLU  13  -6.799   8.041  11.695
  794   1HG   GLU  13          1HG       GLU  13  -4.858   9.282  10.858
  795   2HG   GLU  13          2HG       GLU  13  -5.918  10.182   9.773

  No H/Q in entry =         795
  Start of MODEL   15
    1    H1   GLU   1           H1       GLU   1 -14.028  20.454  -0.921
    2    H2   GLU   1           H2       GLU   1 -13.544  22.051  -1.197
    3    H3   GLU   1           H3       GLU   1 -15.112  21.561  -1.602
    4    HA   GLU   1           HA       GLU   1 -14.508  20.650  -3.531
    5   1HB   GLU   1          1HB       GLU   1 -12.092  22.357  -2.893
    6   2HB   GLU   1          2HB       GLU   1 -12.528  21.805  -4.503
    7   1HG   GLU   1          1HG       GLU   1 -14.229  23.576  -2.761
    8   2HG   GLU   1          2HG       GLU   1 -13.187  24.132  -4.069
    9    H    SER   2           H        SER   2 -11.547  20.428  -4.298
   10    HA   SER   2           HA       SER   2 -10.372  18.394  -2.734
   11   1HB   SER   2          1HB       SER   2 -10.726  16.465  -4.231
   12   2HB   SER   2          2HB       SER   2 -12.250  17.041  -3.553
   13    HG   SER   2           HG       SER   2 -12.437  18.278  -5.577
   14    H    ASP   3           H        ASP   3  -8.275  18.242  -3.253
   15    HA   ASP   3           HA       ASP   3  -7.212  19.869  -5.332
   16   1HB   ASP   3          1HB       ASP   3  -5.020  18.967  -4.590
   17   2HB   ASP   3          2HB       ASP   3  -5.990  19.586  -3.257
   18    H    SER   4           H        SER   4  -5.071  17.533  -5.638
   19    HA   SER   4           HA       SER   4  -5.694  16.846  -8.242
   20   1HB   SER   4          1HB       SER   4  -4.052  15.055  -6.553
   21   2HB   SER   4          2HB       SER   4  -3.793  15.567  -8.204
   22    HG   SER   4           HG       SER   4  -3.746  17.713  -6.626
   23    H    VAL   5           H        VAL   5  -6.609  15.134  -9.195
   24    HA   VAL   5           HA       VAL   5  -8.681  13.760  -7.874
   25    HB   VAL   5           HB       VAL   5  -7.315  13.145 -10.498
   26   1HG1  VAL   5          1HG1      VAL   5  -9.139  11.562  -9.020
   27   2HG1  VAL   5          2HG1      VAL   5 -10.011  12.222 -10.406
   28   3HG1  VAL   5          3HG1      VAL   5  -8.532  11.293 -10.654
   29   1HG2  VAL   5          1HG2      VAL   5  -9.194  15.161  -9.685
   30   2HG2  VAL   5          2HG2      VAL   5  -8.398  14.937 -11.242
   31   3HG2  VAL   5          3HG2      VAL   5  -9.915  14.106 -10.900
   32    H    GLU   6           H        GLU   6  -5.421  12.817  -8.825
   33    HA   GLU   6           HA       GLU   6  -5.506  10.114  -8.204
   34   1HB   GLU   6          1HB       GLU   6  -3.163  11.997  -7.923
   35   2HB   GLU   6          2HB       GLU   6  -3.068  10.244  -8.004
   36   1HG   GLU   6          1HG       GLU   6  -3.998  10.296 -10.263
   37   2HG   GLU   6          2HG       GLU   6  -4.084  12.055 -10.183
   38    H    PHE   7           H        PHE   7  -4.942  12.884  -6.088
   39    HA   PHE   7           HA       PHE   7  -4.074  11.485  -3.821
   40   1HB   PHE   7          1HB       PHE   7  -3.907  13.927  -4.020
   41   2HB   PHE   7          2HB       PHE   7  -5.660  14.061  -3.959
   42    HD1  PHE   7           HD1      PHE   7  -3.270  12.062  -1.901
   43    HD2  PHE   7           HD2      PHE   7  -6.218  15.130  -2.002
   44    HE1  PHE   7           HE1      PHE   7  -3.173  12.229   0.550
   45    HE2  PHE   7           HE2      PHE   7  -6.126  15.303   0.450
   46    HZ   PHE   7           HZ       PHE   7  -4.602  13.851   1.730
   47    H    ASN   8           H        ASN   8  -7.374  12.685  -4.534
   48    HA   ASN   8           HA       ASN   8  -8.594  11.320  -2.382
   49   1HB   ASN   8          1HB       ASN   8  -9.993  12.968  -3.130
   50   2HB   ASN   8          2HB       ASN   8  -9.468  12.799  -4.801
   51   2HD2  ASN   8          2HD2      ASN   8 -10.879  12.020  -6.131
   52   1HD2  ASN   8          1HD2      ASN   8 -12.208  11.000  -5.733
   53    H    ASN   9           H        ASN   9  -7.808  10.537  -5.650
   54    HA   ASN   9           HA       ASN   9  -9.313   8.260  -6.134
   55   1HB   ASN   9          1HB       ASN   9  -7.836   9.491  -7.751
   56   2HB   ASN   9          2HB       ASN   9  -6.448   8.752  -6.980
   57   2HD2  ASN   9          2HD2      ASN   9  -7.782   8.647  -9.674
   58   1HD2  ASN   9          1HD2      ASN   9  -7.822   6.968 -10.020
   59    H    ALA  10           H        ALA  10  -6.195   8.649  -4.523
   60    HA   ALA  10           HA       ALA  10  -5.802   5.875  -3.992
   61   1HB   ALA  10          1HB       ALA  10  -4.165   7.034  -2.226
   62   2HB   ALA  10          2HB       ALA  10  -3.784   6.907  -3.943
   63   3HB   ALA  10          3HB       ALA  10  -4.442   8.412  -3.294
   64    H    ILE  11           H        ILE  11  -7.040   8.616  -2.122
   65    HA   ILE  11           HA       ILE  11  -7.214   7.499   0.390
   66    HB   ILE  11           HB       ILE  11  -9.290   9.295  -0.864
   67   1HG1  ILE  11          1HG1      ILE  11  -7.044  10.258  -1.043
   68   2HG1  ILE  11          2HG1      ILE  11  -8.022  11.154   0.107
   69   1HG2  ILE  11          1HG2      ILE  11  -9.773   8.053   1.332
   70   2HG2  ILE  11          2HG2      ILE  11  -8.587   9.153   2.041
   71   3HG2  ILE  11          3HG2      ILE  11 -10.039   9.800   1.277
   72   1HD1  ILE  11          1HD1      ILE  11  -6.496   9.059   1.389
   73   2HD1  ILE  11          2HD1      ILE  11  -5.471  10.188   0.501
   74   3HD1  ILE  11          3HD1      ILE  11  -6.573  10.786   1.741
   75    H    SER  12           H        SER  12  -9.602   7.307  -2.235
   76    HA   SER  12           HA       SER  12 -11.577   5.919  -0.868
   77   1HB   SER  12          1HB       SER  12 -10.835   5.702  -3.803
   78   2HB   SER  12          2HB       SER  12 -12.359   5.167  -3.095
   79    HG   SER  12           HG       SER  12 -12.944   7.232  -2.749
   80    H    TYR  13           H        TYR  13  -8.640   4.688  -2.426
   81    HA   TYR  13           HA       TYR  13  -9.318   1.955  -2.302
   82   1HB   TYR  13          1HB       TYR  13  -7.398   2.796  -3.608
   83   2HB   TYR  13          2HB       TYR  13  -6.571   3.219  -2.114
   84    HD1  TYR  13           HD1      TYR  13  -8.447   0.167  -3.186
   85    HD2  TYR  13           HD2      TYR  13  -4.773   1.798  -1.798
   86    HE1  TYR  13           HE1      TYR  13  -7.498  -2.097  -3.055
   87    HE2  TYR  13           HE2      TYR  13  -3.812  -0.460  -1.666
   88    HH   TYR  13           HH       TYR  13  -4.205  -2.644  -1.852
   89    H    VAL  14           H        VAL  14  -7.361   3.963  -0.137
   90    HA   VAL  14           HA       VAL  14  -6.939   2.067   1.875
   91    HB   VAL  14           HB       VAL  14  -7.221   5.062   2.211
   92   1HG1  VAL  14          1HG1      VAL  14  -5.987   2.930   3.945
   93   2HG1  VAL  14          2HG1      VAL  14  -5.665   4.652   4.143
   94   3HG1  VAL  14          3HG1      VAL  14  -7.302   4.033   4.352
   95   1HG2  VAL  14          1HG2      VAL  14  -4.781   3.385   1.618
   96   2HG2  VAL  14          2HG2      VAL  14  -5.564   4.515   0.513
   97   3HG2  VAL  14          3HG2      VAL  14  -4.775   5.113   1.973
   98    H    ASN  15           H        ASN  15  -9.563   4.339   1.356
   99    HA   ASN  15           HA       ASN  15 -10.941   3.967   3.773
  100   1HB   ASN  15          1HB       ASN  15 -11.433   5.864   2.377
  101   2HB   ASN  15          2HB       ASN  15 -11.855   4.838   1.028
  102   2HD2  ASN  15          2HD2      ASN  15 -13.059   6.667   3.478
  103   1HD2  ASN  15          1HD2      ASN  15 -14.649   6.002   3.584
  104    H    LYS  16           H        LYS  16 -11.518   2.504   0.574
  105    HA   LYS  16           HA       LYS  16 -13.632   0.848   1.318
  106   1HB   LYS  16          1HB       LYS  16 -12.988   1.315  -1.022
  107   2HB   LYS  16          2HB       LYS  16 -11.543   0.338  -0.812
  108   1HG   LYS  16          1HG       LYS  16 -12.946  -1.632  -0.410
  109   2HG   LYS  16          2HG       LYS  16 -14.385  -0.641  -0.641
  110   1HD   LYS  16          1HD       LYS  16 -13.730  -0.194  -2.924
  111   2HD   LYS  16          2HD       LYS  16 -12.223  -1.085  -2.690
  112   1HE   LYS  16          1HE       LYS  16 -13.719  -2.544  -3.791
  113   2HE   LYS  16          2HE       LYS  16 -13.614  -3.090  -2.127
  114   1HZ   LYS  16          1HZ       LYS  16 -15.707  -1.213  -2.397
  115   2HZ   LYS  16          2HZ       LYS  16 -15.906  -2.444  -3.539
  116   3HZ   LYS  16          3HZ       LYS  16 -15.786  -2.829  -1.896
  117    H    ILE  17           H        ILE  17 -10.150   0.352   1.536
  118    HA   ILE  17           HA       ILE  17 -10.186  -2.391   2.147
  119    HB   ILE  17           HB       ILE  17  -8.218  -0.268   3.013
  120   1HG1  ILE  17          1HG1      ILE  17  -8.078  -2.290   0.768
  121   2HG1  ILE  17          2HG1      ILE  17  -8.471  -0.587   0.560
  122   1HG2  ILE  17          1HG2      ILE  17  -8.466  -2.992   3.829
  123   2HG2  ILE  17          2HG2      ILE  17  -7.001  -2.808   2.865
  124   3HG2  ILE  17          3HG2      ILE  17  -7.249  -1.801   4.291
  125   1HD1  ILE  17          1HD1      ILE  17  -5.950  -1.163   1.964
  126   2HD1  ILE  17          2HD1      ILE  17  -6.014  -1.600   0.256
  127   3HD1  ILE  17          3HD1      ILE  17  -6.329   0.062   0.753
  128    H    LYS  18           H        LYS  18 -10.540   0.490   4.144
  129    HA   LYS  18           HA       LYS  18 -10.435  -0.761   6.656
  130   1HB   LYS  18          1HB       LYS  18 -11.787   1.782   5.741
  131   2HB   LYS  18          2HB       LYS  18 -11.610   1.308   7.420
  132   1HG   LYS  18          1HG       LYS  18  -9.166   1.338   7.147
  133   2HG   LYS  18          2HG       LYS  18  -9.387   1.890   5.486
  134   1HD   LYS  18          1HD       LYS  18  -8.910   3.785   6.905
  135   2HD   LYS  18          2HD       LYS  18 -10.580   3.879   6.345
  136   1HE   LYS  18          1HE       LYS  18 -10.407   4.442   8.716
  137   2HE   LYS  18          2HE       LYS  18 -11.354   2.975   8.474
  138   1HZ   LYS  18          1HZ       LYS  18  -9.338   1.688   9.011
  139   2HZ   LYS  18          2HZ       LYS  18  -8.527   3.130   9.365
  140   3HZ   LYS  18          3HZ       LYS  18  -9.857   2.657  10.298
  141    H    THR  19           H        THR  19 -13.129   0.072   4.537
  142    HA   THR  19           HA       THR  19 -15.133  -0.939   6.312
  143    HB   THR  19           HB       THR  19 -15.607   0.844   4.649
  144    HG1  THR  19           HG1      THR  19 -17.214  -1.437   4.108
  145   1HG2  THR  19          1HG2      THR  19 -14.984  -1.372   2.749
  146   2HG2  THR  19          2HG2      THR  19 -16.180  -0.156   2.300
  147   3HG2  THR  19          3HG2      THR  19 -14.528   0.331   2.679
  148    H    ARG  20           H        ARG  20 -13.242  -2.306   3.729
  149    HA   ARG  20           HA       ARG  20 -14.882  -4.509   3.135
  150   1HB   ARG  20          1HB       ARG  20 -13.082  -3.885   1.652
  151   2HB   ARG  20          2HB       ARG  20 -11.887  -4.167   2.915
  152   1HG   ARG  20          1HG       ARG  20 -11.987  -5.966   1.223
  153   2HG   ARG  20          2HG       ARG  20 -12.311  -6.530   2.864
  154   1HD   ARG  20          1HD       ARG  20 -14.721  -6.411   2.400
  155   2HD   ARG  20          2HD       ARG  20 -14.364  -5.927   0.742
  156    HE   ARG  20           HE       ARG  20 -13.042  -8.343   1.300
  157   1HH1  ARG  20          1HH1      ARG  20 -16.256  -7.089   0.810
  158   2HH1  ARG  20          2HH1      ARG  20 -16.888  -8.586   0.209
  159   1HH2  ARG  20          1HH2      ARG  20 -13.867 -10.319   0.511
  160   2HH2  ARG  20          2HH2      ARG  20 -15.531 -10.422   0.040
  161    H    PHE  21           H        PHE  21 -11.997  -4.346   5.203
  162    HA   PHE  21           HA       PHE  21 -12.761  -6.878   6.438
  163   1HB   PHE  21          1HB       PHE  21 -10.222  -5.255   6.622
  164   2HB   PHE  21          2HB       PHE  21 -10.501  -6.755   7.493
  165    HD1  PHE  21           HD1      PHE  21 -10.324  -5.331   4.068
  166    HD2  PHE  21           HD2      PHE  21 -10.016  -8.798   6.512
  167    HE1  PHE  21           HE1      PHE  21  -9.468  -6.608   2.146
  168    HE2  PHE  21           HE2      PHE  21  -9.150 -10.078   4.607
  169    HZ   PHE  21           HZ       PHE  21  -8.879  -8.986   2.412
  170    H    LEU  22           H        LEU  22 -14.518  -4.920   7.219
  171    HA   LEU  22           HA       LEU  22 -13.872  -3.369   9.419
  172   1HB   LEU  22          1HB       LEU  22 -16.425  -4.803   8.725
  173   2HB   LEU  22          2HB       LEU  22 -16.294  -3.739  10.113
  174    HG   LEU  22           HG       LEU  22 -15.823  -2.901   7.250
  175   1HD1  LEU  22          1HD1      LEU  22 -18.171  -3.494   7.721
  176   2HD1  LEU  22          2HD1      LEU  22 -18.171  -2.338   9.054
  177   3HD1  LEU  22          3HD1      LEU  22 -17.953  -1.774   7.398
  178   1HD2  LEU  22          1HD2      LEU  22 -15.884  -1.379   9.848
  179   2HD2  LEU  22          2HD2      LEU  22 -14.542  -1.523   8.712
  180   3HD2  LEU  22          3HD2      LEU  22 -15.986  -0.613   8.262
  181    H    ASP  23           H        ASP  23 -14.718  -6.798   9.306
  182    HA   ASP  23           HA       ASP  23 -14.655  -7.130  12.153
  183   1HB   ASP  23          1HB       ASP  23 -16.042  -8.543  10.663
  184   2HB   ASP  23          2HB       ASP  23 -14.574  -9.216   9.968
  185    H    HIS  24           H        HIS  24 -12.428  -7.306   9.521
  186    HA   HIS  24           HA       HIS  24 -10.339  -8.395  11.272
  187   1HB   HIS  24          1HB       HIS  24 -10.516  -8.292   8.255
  188   2HB   HIS  24          2HB       HIS  24  -9.159  -8.924   9.171
  189    HD1  HIS  24           HD1      HIS  24 -10.519 -10.817   7.258
  190    HD2  HIS  24           HD2      HIS  24 -11.599 -10.345  11.217
  191    HE1  HIS  24           HE1      HIS  24 -11.675 -12.964   7.887
  192    HE2  HIS  24           HE2      HIS  24 -12.430 -12.610  10.268
  193    HA   PRO  25           HA       PRO  25  -9.297  -3.862  10.673
  194   1HB   PRO  25          1HB       PRO  25  -8.438  -3.476  13.211
  195   2HB   PRO  25          2HB       PRO  25 -10.121  -3.270  12.722
  196   1HG   PRO  25          1HG       PRO  25  -8.811  -5.615  14.051
  197   2HG   PRO  25          2HG       PRO  25 -10.371  -4.853  14.415
  198   1HD   PRO  25          1HD       PRO  25 -10.211  -7.122  12.978
  199   2HD   PRO  25          2HD       PRO  25 -11.434  -5.882  12.634
  200    H    GLU  26           H        GLU  26  -7.627  -6.520  12.262
  201    HA   GLU  26           HA       GLU  26  -5.047  -5.515  12.362
  202   1HB   GLU  26          1HB       GLU  26  -4.295  -7.854  12.368
  203   2HB   GLU  26          2HB       GLU  26  -5.674  -7.610  13.431
  204   1HG   GLU  26          1HG       GLU  26  -7.156  -8.547  11.736
  205   2HG   GLU  26          2HG       GLU  26  -5.780  -8.779  10.659
  206    H    ILE  27           H        ILE  27  -6.824  -6.807   9.632
  207    HA   ILE  27           HA       ILE  27  -4.652  -7.235   7.881
  208    HB   ILE  27           HB       ILE  27  -7.272  -6.255   6.834
  209   1HG1  ILE  27          1HG1      ILE  27  -7.731  -7.792   8.779
  210   2HG1  ILE  27          2HG1      ILE  27  -8.382  -8.315   7.238
  211   1HG2  ILE  27          1HG2      ILE  27  -4.993  -7.524   5.779
  212   2HG2  ILE  27          2HG2      ILE  27  -6.312  -8.689   5.689
  213   3HG2  ILE  27          3HG2      ILE  27  -6.488  -7.101   4.943
  214   1HD1  ILE  27          1HD1      ILE  27  -5.762  -9.357   8.217
  215   2HD1  ILE  27          2HD1      ILE  27  -7.296 -10.041   8.774
  216   3HD1  ILE  27          3HD1      ILE  27  -6.889 -10.065   7.054
  217    H    TYR  28           H        TYR  28  -6.818  -4.457   8.324
  218    HA   TYR  28           HA       TYR  28  -5.760  -2.770   6.382
  219   1HB   TYR  28          1HB       TYR  28  -7.850  -2.298   7.540
  220   2HB   TYR  28          2HB       TYR  28  -6.982  -2.067   9.047
  221    HD1  TYR  28           HD1      TYR  28  -6.976  -0.755   5.555
  222    HD2  TYR  28           HD2      TYR  28  -6.550   0.098   9.696
  223    HE1  TYR  28           HE1      TYR  28  -6.689   1.632   5.027
  224    HE2  TYR  28           HE2      TYR  28  -6.279   2.488   9.186
  225    HH   TYR  28           HH       TYR  28  -5.382   3.730   6.634
  226    H    ARG  29           H        ARG  29  -4.938  -3.052   9.814
  227    HA   ARG  29           HA       ARG  29  -2.976  -1.089   9.955
  228   1HB   ARG  29          1HB       ARG  29  -3.258  -3.691  11.456
  229   2HB   ARG  29          2HB       ARG  29  -2.128  -2.424  11.896
  230   1HG   ARG  29          1HG       ARG  29  -5.118  -2.110  11.765
  231   2HG   ARG  29          2HG       ARG  29  -4.184  -2.376  13.236
  232   1HD   ARG  29          1HD       ARG  29  -3.937  -0.020  11.369
  233   2HD   ARG  29          2HD       ARG  29  -4.718  -0.012  12.949
  234    HE   ARG  29           HE       ARG  29  -2.100  -0.903  13.297
  235   1HH1  ARG  29          1HH1      ARG  29  -3.774   1.993  12.323
  236   2HH1  ARG  29          2HH1      ARG  29  -2.536   3.056  12.903
  237   1HH2  ARG  29          1HH2      ARG  29  -0.469   0.490  14.066
  238   2HH2  ARG  29          2HH2      ARG  29  -0.661   2.202  13.898
  239    H    SER  30           H        SER  30  -2.523  -4.588   9.472
  240    HA   SER  30           HA       SER  30   0.223  -4.611   9.149
  241   1HB   SER  30          1HB       SER  30  -1.823  -6.367   7.772
  242   2HB   SER  30          2HB       SER  30  -0.099  -6.717   7.883
  243    HG   SER  30           HG       SER  30  -1.588  -7.675   9.520
  244    H    PHE  31           H        PHE  31  -2.273  -4.155   6.659
  245    HA   PHE  31           HA       PHE  31  -0.685  -4.021   4.400
  246   1HB   PHE  31          1HB       PHE  31  -3.062  -4.014   4.156
  247   2HB   PHE  31          2HB       PHE  31  -3.224  -2.551   5.123
  248    HD1  PHE  31           HD1      PHE  31  -1.504  -3.704   2.015
  249    HD2  PHE  31           HD2      PHE  31  -3.607  -0.586   4.013
  250    HE1  PHE  31           HE1      PHE  31  -1.423  -2.343  -0.033
  251    HE2  PHE  31           HE2      PHE  31  -3.535   0.778   1.965
  252    HZ   PHE  31           HZ       PHE  31  -2.441  -0.099  -0.061
  253    H    LEU  32           H        LEU  32  -1.597  -1.398   6.611
  254    HA   LEU  32           HA       LEU  32  -0.257   0.672   5.289
  255   1HB   LEU  32          1HB       LEU  32  -0.704   0.430   8.261
  256   2HB   LEU  32          2HB       LEU  32  -0.450   1.908   7.356
  257    HG   LEU  32           HG       LEU  32  -2.857   0.097   7.201
  258   1HD1  LEU  32          1HD1      LEU  32  -2.474   1.738   9.165
  259   2HD1  LEU  32          2HD1      LEU  32  -2.868   2.979   7.976
  260   3HD1  LEU  32          3HD1      LEU  32  -4.035   1.708   8.345
  261   1HD2  LEU  32          1HD2      LEU  32  -1.802   2.013   5.317
  262   2HD2  LEU  32          2HD2      LEU  32  -3.148   0.887   5.147
  263   3HD2  LEU  32          3HD2      LEU  32  -3.410   2.469   5.879
  264    H    GLU  33           H        GLU  33   0.816  -1.578   7.795
  265    HA   GLU  33           HA       GLU  33   3.368  -0.463   8.226
  266   1HB   GLU  33          1HB       GLU  33   2.479  -3.349   8.479
  267   2HB   GLU  33          2HB       GLU  33   3.955  -2.676   9.154
  268   1HG   GLU  33          1HG       GLU  33   1.163  -1.835   9.899
  269   2HG   GLU  33          2HG       GLU  33   2.181  -2.936  10.824
  270    H    ILE  34           H        ILE  34   2.102  -2.612   5.757
  271    HA   ILE  34           HA       ILE  34   4.544  -3.550   4.714
  272    HB   ILE  34           HB       ILE  34   1.958  -3.048   3.250
  273   1HG1  ILE  34          1HG1      ILE  34   3.052  -5.547   4.559
  274   2HG1  ILE  34          2HG1      ILE  34   1.739  -4.555   5.188
  275   1HG2  ILE  34          1HG2      ILE  34   4.536  -4.321   2.477
  276   2HG2  ILE  34          2HG2      ILE  34   3.038  -5.035   1.881
  277   3HG2  ILE  34          3HG2      ILE  34   3.419  -3.353   1.513
  278   1HD1  ILE  34          1HD1      ILE  34   1.610  -5.826   2.490
  279   2HD1  ILE  34          2HD1      ILE  34   1.120  -6.672   3.957
  280   3HD1  ILE  34          3HD1      ILE  34   0.296  -5.188   3.476
  281    H    LEU  35           H        LEU  35   2.444  -0.883   3.625
  282    HA   LEU  35           HA       LEU  35   4.233   0.176   1.715
  283   1HB   LEU  35          1HB       LEU  35   2.155   1.649   3.353
  284   2HB   LEU  35          2HB       LEU  35   2.884   2.218   1.860
  285    HG   LEU  35           HG       LEU  35   1.204  -0.282   2.015
  286   1HD1  LEU  35          1HD1      LEU  35   0.432   2.554   1.909
  287   2HD1  LEU  35          2HD1      LEU  35  -0.338   1.514   0.712
  288   3HD1  LEU  35          3HD1      LEU  35  -0.489   1.143   2.431
  289   1HD2  LEU  35          1HD2      LEU  35   2.915   0.593   0.061
  290   2HD2  LEU  35          2HD2      LEU  35   1.548  -0.493  -0.186
  291   3HD2  LEU  35          3HD2      LEU  35   1.361   1.239  -0.473
  292    H    HIS  36           H        HIS  36   3.737   0.722   5.127
  293    HA   HIS  36           HA       HIS  36   5.433   2.891   5.557
  294   1HB   HIS  36          1HB       HIS  36   4.224   0.746   7.205
  295   2HB   HIS  36          2HB       HIS  36   5.618   1.548   7.905
  296    HD1  HIS  36           HD1      HIS  36   5.236   4.416   7.392
  297    HD2  HIS  36           HD2      HIS  36   2.020   1.913   8.194
  298    HE1  HIS  36           HE1      HIS  36   3.402   5.925   8.220
  299    HE2  HIS  36           HE2      HIS  36   1.464   4.387   8.702
  300    H    THR  37           H        THR  37   6.074  -0.582   5.548
  301    HA   THR  37           HA       THR  37   8.746  -0.514   6.381
  302    HB   THR  37           HB       THR  37   7.417  -2.475   4.495
  303    HG1  THR  37           HG1      THR  37   7.424  -2.141   7.263
  304   1HG2  THR  37          1HG2      THR  37   9.945  -2.734   6.130
  305   2HG2  THR  37          2HG2      THR  37   9.183  -4.031   5.208
  306   3HG2  THR  37          3HG2      THR  37   9.849  -2.628   4.372
  307    H    TYR  38           H        TYR  38   7.237   0.003   3.268
  308    HA   TYR  38           HA       TYR  38   9.517  -0.133   1.635
  309   1HB   TYR  38          1HB       TYR  38   7.330  -0.164   0.645
  310   2HB   TYR  38          2HB       TYR  38   6.924   1.391   1.357
  311    HD1  TYR  38           HD1      TYR  38   9.543  -0.069  -0.878
  312    HD2  TYR  38           HD2      TYR  38   6.991   3.222  -0.012
  313    HE1  TYR  38           HE1      TYR  38  10.358   1.078  -2.894
  314    HE2  TYR  38           HE2      TYR  38   7.796   4.382  -2.031
  315    HH   TYR  38           HH       TYR  38  10.535   3.469  -3.709
  316    H    GLN  39           H        GLN  39   7.793   2.773   2.752
  317    HA   GLN  39           HA       GLN  39   9.749   4.596   1.954
  318   1HB   GLN  39          1HB       GLN  39   7.627   4.820   4.071
  319   2HB   GLN  39          2HB       GLN  39   8.637   6.167   3.558
  320   1HG   GLN  39          1HG       GLN  39   7.803   5.633   1.194
  321   2HG   GLN  39          2HG       GLN  39   6.560   4.678   2.001
  322   2HE2  GLN  39          2HE2      GLN  39   7.439   7.186   3.983
  323   1HE2  GLN  39          1HE2      GLN  39   6.210   8.315   3.561
  324    H    LYS  40           H        LYS  40   9.286   3.034   5.113
  325    HA   LYS  40           HA       LYS  40  11.151   4.449   6.587
  326   1HB   LYS  40          1HB       LYS  40  10.346   1.548   6.763
  327   2HB   LYS  40          2HB       LYS  40  11.377   2.333   7.949
  328   1HG   LYS  40          1HG       LYS  40   9.604   3.880   8.516
  329   2HG   LYS  40          2HG       LYS  40   8.572   3.190   7.262
  330   1HD   LYS  40          1HD       LYS  40   7.952   2.313   9.442
  331   2HD   LYS  40          2HD       LYS  40   8.615   1.029   8.433
  332   1HE   LYS  40          1HE       LYS  40  10.785   1.288   9.567
  333   2HE   LYS  40          2HE       LYS  40  10.084   2.536  10.596
  334   1HZ   LYS  40          1HZ       LYS  40   8.476   0.220  10.685
  335   2HZ   LYS  40          2HZ       LYS  40  10.080  -0.206  11.019
  336   3HZ   LYS  40          3HZ       LYS  40   9.310   0.980  11.946
  337    H    GLU  41           H        GLU  41  11.675   1.676   4.452
  338    HA   GLU  41           HA       GLU  41  14.432   1.383   5.086
  339   1HB   GLU  41          1HB       GLU  41  13.093  -0.456   4.176
  340   2HB   GLU  41          2HB       GLU  41  12.889   0.430   2.671
  341   1HG   GLU  41          1HG       GLU  41  14.573  -1.235   2.364
  342   2HG   GLU  41          2HG       GLU  41  15.338   0.352   2.342
  343    H    GLN  42           H        GLN  42  12.765   2.835   2.277
  344    HA   GLN  42           HA       GLN  42  15.049   3.588   0.880
  345   1HB   GLN  42          1HB       GLN  42  13.585   4.954  -0.422
  346   2HB   GLN  42          2HB       GLN  42  12.730   3.484  -0.012
  347   1HG   GLN  42          1HG       GLN  42  11.597   4.703   1.806
  348   2HG   GLN  42          2HG       GLN  42  12.391   6.181   1.272
  349   2HE2  GLN  42          2HE2      GLN  42  11.811   4.396  -1.429
  350   1HE2  GLN  42          1HE2      GLN  42  10.295   5.072  -1.900
  351    H    LEU  43           H        LEU  43  13.201   5.322   3.356
  352    HA   LEU  43           HA       LEU  43  14.406   7.821   3.111
  353   1HB   LEU  43          1HB       LEU  43  13.301   6.439   5.545
  354   2HB   LEU  43          2HB       LEU  43  13.796   8.118   5.527
  355    HG   LEU  43           HG       LEU  43  11.613   6.958   3.796
  356   1HD1  LEU  43          1HD1      LEU  43  11.522   7.454   6.515
  357   2HD1  LEU  43          2HD1      LEU  43  10.827   8.905   5.792
  358   3HD1  LEU  43          3HD1      LEU  43  10.142   7.322   5.426
  359   1HD2  LEU  43          1HD2      LEU  43  12.846   9.652   4.061
  360   2HD2  LEU  43          2HD2      LEU  43  12.252   8.815   2.626
  361   3HD2  LEU  43          3HD2      LEU  43  11.112   9.543   3.757
  362    H    HIS  44           H        HIS  44  16.290   8.669   3.729
  363    HA   HIS  44           HA       HIS  44  18.342   8.933   4.679
  364   1HB   HIS  44          1HB       HIS  44  17.763   6.373   6.193
  365   2HB   HIS  44          2HB       HIS  44  19.113   7.463   6.488
  366    HD1  HIS  44           HD1      HIS  44  17.769   7.218   8.943
  367    HD2  HIS  44           HD2      HIS  44  16.131   9.669   6.013
  368    HE1  HIS  44           HE1      HIS  44  16.204   8.767  10.158
  369    HE2  HIS  44           HE2      HIS  44  15.218  10.236   8.365
  370    H    THR  45           H        THR  45  18.072   8.015   2.226
  371    HA   THR  45           HA       THR  45  19.076   5.588   1.505
  372    HB   THR  45           HB       THR  45  19.591   8.156   0.078
  373    HG1  THR  45           HG1      THR  45  17.529   6.422  -0.655
  374   1HG2  THR  45          1HG2      THR  45  19.810   5.286  -0.722
  375   2HG2  THR  45          2HG2      THR  45  19.435   6.517  -1.928
  376   3HG2  THR  45          3HG2      THR  45  20.939   6.611  -1.012
  377    H    LYS  46           H        LYS  46  21.087   4.681   1.215
  378    HA   LYS  46           HA       LYS  46  23.418   6.332   1.893
  379   1HB   LYS  46          1HB       LYS  46  22.846   3.583   3.013
  380   2HB   LYS  46          2HB       LYS  46  24.320   4.504   3.276
  381   1HG   LYS  46          1HG       LYS  46  21.562   5.325   4.165
  382   2HG   LYS  46          2HG       LYS  46  22.810   4.619   5.193
  383   1HD   LYS  46          1HD       LYS  46  24.259   6.535   4.766
  384   2HD   LYS  46          2HD       LYS  46  23.039   7.232   3.698
  385   1HE   LYS  46          1HE       LYS  46  22.983   8.268   5.911
  386   2HE   LYS  46          2HE       LYS  46  21.485   7.404   5.565
  387   1HZ   LYS  46          1HZ       LYS  46  23.496   5.829   6.911
  388   2HZ   LYS  46          2HZ       LYS  46  22.916   7.132   7.818
  389   3HZ   LYS  46          3HZ       LYS  46  21.841   5.967   7.225
  390    H    GLY  47           H        GLY  47  22.463   3.063   0.807
  391   1HA   GLY  47          1HA       GLY  47  23.484   1.649  -0.711
  392   2HA   GLY  47          2HA       GLY  47  24.890   2.703  -0.683
  393    H    ARG  48           H        ARG  48  23.488   1.395  -2.939
  394    HA   ARG  48           HA       ARG  48  23.463   3.667  -4.699
  395   1HB   ARG  48          1HB       ARG  48  22.812   0.769  -5.273
  396   2HB   ARG  48          2HB       ARG  48  23.086   2.020  -6.476
  397   1HG   ARG  48          1HG       ARG  48  25.388   2.284  -5.626
  398   2HG   ARG  48          2HG       ARG  48  25.097   0.948  -4.514
  399   1HD   ARG  48          1HD       ARG  48  24.970   0.799  -7.525
  400   2HD   ARG  48          2HD       ARG  48  26.298   0.222  -6.523
  401    HE   ARG  48           HE       ARG  48  25.038  -1.622  -5.943
  402   1HH1  ARG  48          1HH1      ARG  48  23.078   0.633  -7.746
  403   2HH1  ARG  48          2HH1      ARG  48  21.753  -0.468  -7.922
  404   1HH2  ARG  48          1HH2      ARG  48  23.300  -3.072  -6.181
  405   2HH2  ARG  48          2HH2      ARG  48  21.877  -2.570  -7.031
  406    HA   PRO  49           HA       PRO  49  19.171   4.714  -4.470
  407   1HB   PRO  49          1HB       PRO  49  18.830   5.395  -7.153
  408   2HB   PRO  49          2HB       PRO  49  19.379   6.485  -5.878
  409   1HG   PRO  49          1HG       PRO  49  20.970   4.982  -7.903
  410   2HG   PRO  49          2HG       PRO  49  21.236   6.606  -7.241
  411   1HD   PRO  49          1HD       PRO  49  22.710   4.511  -6.446
  412   2HD   PRO  49          2HD       PRO  49  22.230   5.790  -5.310
  413    H    PHE  50           H        PHE  50  17.597   3.273  -4.354
  414    HA   PHE  50           HA       PHE  50  16.148   1.597  -4.844
  415   1HB   PHE  50          1HB       PHE  50  15.610   2.833  -6.847
  416   2HB   PHE  50          2HB       PHE  50  17.034   2.206  -7.669
  417    HD1  PHE  50           HD1      PHE  50  14.337   0.558  -5.679
  418    HD2  PHE  50           HD2      PHE  50  16.377   0.856  -9.403
  419    HE1  PHE  50           HE1      PHE  50  13.010  -1.318  -6.554
  420    HE2  PHE  50           HE2      PHE  50  15.050  -1.019 -10.283
  421    HZ   PHE  50           HZ       PHE  50  13.363  -2.108  -8.857
  422    H    ARG  51           H        ARG  51  16.482  -0.450  -4.315
  423    HA   ARG  51           HA       ARG  51  17.915  -2.301  -5.825
  424   1HB   ARG  51          1HB       ARG  51  19.887  -1.049  -5.026
  425   2HB   ARG  51          2HB       ARG  51  19.400  -1.383  -3.372
  426   1HG   ARG  51          1HG       ARG  51  19.633  -3.799  -3.857
  427   2HG   ARG  51          2HG       ARG  51  20.269  -3.366  -5.444
  428   1HD   ARG  51          1HD       ARG  51  22.110  -3.802  -3.959
  429   2HD   ARG  51          2HD       ARG  51  22.062  -2.078  -4.326
  430    HE   ARG  51           HE       ARG  51  20.617  -2.508  -1.975
  431   1HH1  ARG  51          1HH1      ARG  51  23.898  -2.694  -3.133
  432   2HH1  ARG  51          2HH1      ARG  51  24.599  -2.368  -1.583
  433   1HH2  ARG  51          1HH2      ARG  51  21.531  -2.081   0.069
  434   2HH2  ARG  51          2HH2      ARG  51  23.254  -2.023   0.238
  435    H    GLY  52           H        GLY  52  17.118  -1.437  -2.566
  436   1HA   GLY  52          1HA       GLY  52  16.281  -2.680  -0.789
  437   2HA   GLY  52          2HA       GLY  52  16.640  -4.133  -1.709
  438    H    MET  53           H        MET  53  14.292  -2.706  -0.211
  439    HA   MET  53           HA       MET  53  12.224  -4.121  -1.496
  440   1HB   MET  53          1HB       MET  53  12.350  -3.535   0.922
  441   2HB   MET  53          2HB       MET  53  11.994  -1.868   0.494
  442   1HG   MET  53          1HG       MET  53   9.845  -2.574  -0.453
  443   2HG   MET  53          2HG       MET  53  10.193  -4.235   0.028
  444   1HE   MET  53          1HE       MET  53   7.839  -3.842   0.702
  445   2HE   MET  53          2HE       MET  53   7.590  -3.926   2.446
  446   3HE   MET  53          3HE       MET  53   7.337  -2.404   1.592
  447    H    SER  54           H        SER  54  10.495  -3.412  -2.715
  448    HA   SER  54           HA       SER  54  10.210  -0.648  -3.451
  449   1HB   SER  54          1HB       SER  54  12.089  -1.444  -4.914
  450   2HB   SER  54          2HB       SER  54  10.983  -2.627  -5.610
  451    HG   SER  54           HG       SER  54   9.809  -0.249  -5.700
  452    H    GLU  55           H        GLU  55   8.876  -1.433  -5.999
  453    HA   GLU  55           HA       GLU  55   6.296  -1.854  -4.964
  454   1HB   GLU  55          1HB       GLU  55   7.227  -2.203  -7.812
  455   2HB   GLU  55          2HB       GLU  55   5.566  -1.977  -7.276
  456   1HG   GLU  55          1HG       GLU  55   7.816   0.001  -7.104
  457   2HG   GLU  55          2HG       GLU  55   6.390   0.091  -8.136
  458    H    GLU  56           H        GLU  56   8.725  -4.005  -6.243
  459    HA   GLU  56           HA       GLU  56   7.153  -6.258  -6.744
  460   1HB   GLU  56          1HB       GLU  56   9.265  -7.540  -6.478
  461   2HB   GLU  56          2HB       GLU  56   9.417  -6.150  -7.542
  462   1HG   GLU  56          1HG       GLU  56  10.454  -4.878  -5.726
  463   2HG   GLU  56          2HG       GLU  56  10.317  -6.284  -4.672
  464    H    GLU  57           H        GLU  57   8.940  -5.391  -3.771
  465    HA   GLU  57           HA       GLU  57   7.978  -7.673  -2.355
  466   1HB   GLU  57          1HB       GLU  57  10.098  -6.679  -1.740
  467   2HB   GLU  57          2HB       GLU  57   9.307  -5.158  -1.347
  468   1HG   GLU  57          1HG       GLU  57   8.214  -6.107   0.529
  469   2HG   GLU  57          2HG       GLU  57   8.686  -7.744   0.063
  470    H    VAL  58           H        VAL  58   7.122  -4.209  -2.256
  471    HA   VAL  58           HA       VAL  58   5.250  -4.308  -0.213
  472    HB   VAL  58           HB       VAL  58   5.111  -2.607  -2.712
  473   1HG1  VAL  58          1HG1      VAL  58   2.974  -2.750  -1.469
  474   2HG1  VAL  58          2HG1      VAL  58   3.805  -2.162  -0.030
  475   3HG1  VAL  58          3HG1      VAL  58   3.674  -1.131  -1.455
  476   1HG2  VAL  58          1HG2      VAL  58   7.100  -2.609  -0.867
  477   2HG2  VAL  58          2HG2      VAL  58   6.607  -1.195  -1.800
  478   3HG2  VAL  58          3HG2      VAL  58   5.990  -1.433  -0.165
  479    H    PHE  59           H        PHE  59   4.820  -4.934  -3.665
  480    HA   PHE  59           HA       PHE  59   2.052  -5.401  -3.627
  481   1HB   PHE  59          1HB       PHE  59   3.354  -5.043  -5.693
  482   2HB   PHE  59          2HB       PHE  59   4.153  -6.592  -5.452
  483    HD1  PHE  59           HD1      PHE  59   0.604  -5.420  -5.371
  484    HD2  PHE  59           HD2      PHE  59   3.447  -8.170  -6.940
  485    HE1  PHE  59           HE1      PHE  59  -1.183  -6.532  -6.646
  486    HE2  PHE  59           HE2      PHE  59   1.666  -9.289  -8.218
  487    HZ   PHE  59           HZ       PHE  59  -0.652  -8.469  -8.073
  488    H    THR  60           H        THR  60   4.793  -7.375  -2.816
  489    HA   THR  60           HA       THR  60   3.536  -9.894  -2.867
  490    HB   THR  60           HB       THR  60   5.959  -8.936  -1.340
  491    HG1  THR  60           HG1      THR  60   6.868 -10.402  -3.107
  492   1HG2  THR  60          1HG2      THR  60   4.578 -11.538  -1.351
  493   2HG2  THR  60          2HG2      THR  60   6.324 -11.599  -1.591
  494   3HG2  THR  60          3HG2      THR  60   5.659 -10.829  -0.150
  495    H    GLU  61           H        GLU  61   4.461  -7.969   0.020
  496    HA   GLU  61           HA       GLU  61   3.112  -9.554   1.864
  497   1HB   GLU  61          1HB       GLU  61   3.888  -6.649   1.952
  498   2HB   GLU  61          2HB       GLU  61   3.101  -7.448   3.305
  499   1HG   GLU  61          1HG       GLU  61   5.427  -7.461   3.729
  500   2HG   GLU  61          2HG       GLU  61   4.967  -9.108   3.302
  501    H    VAL  62           H        VAL  62   1.932  -6.746   0.044
  502    HA   VAL  62           HA       VAL  62  -0.551  -6.546   1.372
  503    HB   VAL  62           HB       VAL  62   0.117  -5.781  -1.479
  504   1HG1  VAL  62          1HG1      VAL  62  -2.269  -5.294   0.262
  505   2HG1  VAL  62          2HG1      VAL  62  -1.826  -4.141  -0.997
  506   3HG1  VAL  62          3HG1      VAL  62  -2.203  -5.811  -1.423
  507   1HG2  VAL  62          1HG2      VAL  62   1.498  -4.719   0.329
  508   2HG2  VAL  62          2HG2      VAL  62   0.564  -3.590  -0.652
  509   3HG2  VAL  62          3HG2      VAL  62   0.008  -4.022   0.966
  510    H    ALA  63           H        ALA  63   0.449  -8.310  -1.544
  511    HA   ALA  63           HA       ALA  63  -2.082  -9.331  -2.225
  512   1HB   ALA  63          1HB       ALA  63  -0.527 -11.245  -3.204
  513   2HB   ALA  63          2HB       ALA  63   0.729 -10.053  -2.868
  514   3HB   ALA  63          3HB       ALA  63  -0.611  -9.646  -3.942
  515    H    ASN  64           H        ASN  64   0.483 -10.529  -0.123
  516    HA   ASN  64           HA       ASN  64  -0.642 -13.027   0.504
  517   1HB   ASN  64          1HB       ASN  64   1.286 -11.249   2.004
  518   2HB   ASN  64          2HB       ASN  64   0.836 -12.859   2.559
  519   2HD2  ASN  64          2HD2      ASN  64   3.201 -11.248   1.059
  520   1HD2  ASN  64          1HD2      ASN  64   3.824 -12.492   0.037
  521    H    LEU  65           H        LEU  65  -0.965  -9.844   2.014
  522    HA   LEU  65           HA       LEU  65  -2.478 -10.619   4.253
  523   1HB   LEU  65          1HB       LEU  65  -1.755  -8.155   2.873
  524   2HB   LEU  65          2HB       LEU  65  -3.335  -8.082   3.618
  525    HG   LEU  65           HG       LEU  65  -0.772  -8.755   5.058
  526   1HD1  LEU  65          1HD1      LEU  65  -1.675  -6.308   4.136
  527   2HD1  LEU  65          2HD1      LEU  65  -2.171  -6.343   5.828
  528   3HD1  LEU  65          3HD1      LEU  65  -0.475  -6.576   5.401
  529   1HD2  LEU  65          1HD2      LEU  65  -3.639  -8.747   5.827
  530   2HD2  LEU  65          2HD2      LEU  65  -2.311  -9.747   6.416
  531   3HD2  LEU  65          3HD2      LEU  65  -2.486  -8.090   6.989
  532    H    PHE  66           H        PHE  66  -3.599  -8.915   1.362
  533    HA   PHE  66           HA       PHE  66  -6.348  -9.483   1.863
  534   1HB   PHE  66          1HB       PHE  66  -4.983  -8.429  -0.620
  535   2HB   PHE  66          2HB       PHE  66  -6.718  -8.433  -0.345
  536    HD1  PHE  66           HD1      PHE  66  -5.400  -7.756   2.771
  537    HD2  PHE  66           HD2      PHE  66  -5.866  -5.958  -1.064
  538    HE1  PHE  66           HE1      PHE  66  -5.219  -5.527   3.796
  539    HE2  PHE  66           HE2      PHE  66  -5.691  -3.728  -0.039
  540    HZ   PHE  66           HZ       PHE  66  -5.367  -3.509   2.391
  541    H    ARG  67           H        ARG  67  -4.872 -11.927   1.731
  542    HA   ARG  67           HA       ARG  67  -5.056 -13.181  -0.778
  543   1HB   ARG  67          1HB       ARG  67  -3.706 -14.082   1.076
  544   2HB   ARG  67          2HB       ARG  67  -5.175 -14.433   1.974
  545   1HG   ARG  67          1HG       ARG  67  -4.280 -16.438   0.938
  546   2HG   ARG  67          2HG       ARG  67  -5.855 -16.028   0.258
  547   1HD   ARG  67          1HD       ARG  67  -4.756 -15.011  -1.676
  548   2HD   ARG  67          2HD       ARG  67  -3.181 -15.408  -0.992
  549    HE   ARG  67           HE       ARG  67  -4.628 -17.775  -1.172
  550   1HH1  ARG  67          1HH1      ARG  67  -3.324 -15.356  -3.312
  551   2HH1  ARG  67          2HH1      ARG  67  -3.063 -16.463  -4.617
  552   1HH2  ARG  67          1HH2      ARG  67  -4.286 -19.244  -2.884
  553   2HH2  ARG  67          2HH2      ARG  67  -3.612 -18.674  -4.373
  554    H    GLY  68           H        GLY  68  -6.708 -14.046  -1.860
  555   1HA   GLY  68          1HA       GLY  68  -9.173 -14.748  -0.469
  556   2HA   GLY  68          2HA       GLY  68  -8.796 -15.081  -2.155
  557    H    GLN  69           H        GLN  69  -8.696 -12.019  -0.357
  558    HA   GLN  69           HA       GLN  69 -11.022 -11.034  -1.793
  559   1HB   GLN  69          1HB       GLN  69  -9.254  -9.647   0.231
  560   2HB   GLN  69          2HB       GLN  69 -10.743  -8.993  -0.435
  561   1HG   GLN  69          1HG       GLN  69 -11.467  -9.818   1.572
  562   2HG   GLN  69          2HG       GLN  69 -11.800 -11.176   0.500
  563   2HE2  GLN  69          2HE2      GLN  69  -8.501 -10.675   1.093
  564   1HE2  GLN  69          1HE2      GLN  69  -8.280 -11.912   2.277
  565    H    GLU  70           H        GLU  70  -9.334 -11.588  -3.683
  566    HA   GLU  70           HA       GLU  70  -7.341  -9.757  -4.346
  567   1HB   GLU  70          1HB       GLU  70  -9.037 -11.540  -6.053
  568   2HB   GLU  70          2HB       GLU  70  -7.705 -10.583  -6.690
  569   1HG   GLU  70          1HG       GLU  70  -7.506 -12.679  -4.545
  570   2HG   GLU  70          2HG       GLU  70  -7.027 -12.857  -6.224
  571    H    ASP  71           H        ASP  71 -10.579  -9.083  -4.050
  572    HA   ASP  71           HA       ASP  71 -11.138  -7.493  -6.290
  573   1HB   ASP  71          1HB       ASP  71 -12.868  -8.211  -4.716
  574   2HB   ASP  71          2HB       ASP  71 -12.153  -7.201  -3.469
  575    H    LEU  72           H        LEU  72  -9.874  -6.595  -3.098
  576    HA   LEU  72           HA       LEU  72  -9.492  -3.857  -3.732
  577   1HB   LEU  72          1HB       LEU  72  -8.149  -5.546  -1.616
  578   2HB   LEU  72          2HB       LEU  72  -8.129  -3.795  -1.683
  579    HG   LEU  72           HG       LEU  72 -10.610  -5.477  -1.312
  580   1HD1  LEU  72          1HD1      LEU  72  -8.818  -4.046   0.623
  581   2HD1  LEU  72          2HD1      LEU  72 -10.513  -4.365   0.990
  582   3HD1  LEU  72          3HD1      LEU  72  -9.408  -5.706   0.681
  583   1HD2  LEU  72          1HD2      LEU  72 -10.116  -2.509  -1.369
  584   2HD2  LEU  72          2HD2      LEU  72 -11.238  -3.452  -2.354
  585   3HD2  LEU  72          3HD2      LEU  72 -11.552  -3.225  -0.632
  586    H    LEU  73           H        LEU  73  -7.496  -6.733  -3.958
  587    HA   LEU  73           HA       LEU  73  -4.996  -5.662  -4.364
  588   1HB   LEU  73          1HB       LEU  73  -6.324  -8.137  -4.577
  589   2HB   LEU  73          2HB       LEU  73  -5.490  -7.893  -6.080
  590    HG   LEU  73           HG       LEU  73  -4.007  -9.123  -4.718
  591   1HD1  LEU  73          1HD1      LEU  73  -3.352  -6.481  -5.490
  592   2HD1  LEU  73          2HD1      LEU  73  -2.586  -6.796  -3.932
  593   3HD1  LEU  73          3HD1      LEU  73  -2.280  -7.868  -5.299
  594   1HD2  LEU  73          1HD2      LEU  73  -5.224  -8.704  -2.623
  595   2HD2  LEU  73          2HD2      LEU  73  -3.475  -8.554  -2.441
  596   3HD2  LEU  73          3HD2      LEU  73  -4.479  -7.107  -2.535
  597    H    SER  74           H        SER  74  -7.681  -6.099  -6.588
  598    HA   SER  74           HA       SER  74  -6.413  -5.592  -9.009
  599   1HB   SER  74          1HB       SER  74  -8.723  -6.419  -8.822
  600   2HB   SER  74          2HB       SER  74  -9.231  -4.856  -8.181
  601    HG   SER  74           HG       SER  74  -7.993  -4.303 -10.400
  602    H    GLU  75           H        GLU  75  -7.806  -3.343  -6.655
  603    HA   GLU  75           HA       GLU  75  -7.361  -1.008  -8.213
  604   1HB   GLU  75          1HB       GLU  75  -7.716  -1.301  -5.224
  605   2HB   GLU  75          2HB       GLU  75  -7.800   0.212  -6.115
  606   1HG   GLU  75          1HG       GLU  75  -9.735  -0.630  -7.353
  607   2HG   GLU  75          2HG       GLU  75  -9.656  -2.136  -6.439
  608    H    PHE  76           H        PHE  76  -5.540  -2.647  -5.679
  609    HA   PHE  76           HA       PHE  76  -3.532  -0.766  -5.254
  610   1HB   PHE  76          1HB       PHE  76  -3.926  -2.819  -3.893
  611   2HB   PHE  76          2HB       PHE  76  -3.240  -3.777  -5.197
  612    HD1  PHE  76           HD1      PHE  76  -2.068  -0.520  -3.837
  613    HD2  PHE  76           HD2      PHE  76  -1.320  -4.686  -4.277
  614    HE1  PHE  76           HE1      PHE  76   0.174  -0.215  -2.869
  615    HE2  PHE  76           HE2      PHE  76   0.921  -4.392  -3.309
  616    HZ   PHE  76           HZ       PHE  76   1.672  -2.152  -2.602
  617    H    GLY  77           H        GLY  77  -3.745  -3.369  -7.646
  618   1HA   GLY  77          1HA       GLY  77  -2.534  -3.810  -9.540
  619   2HA   GLY  77          2HA       GLY  77  -1.171  -3.032  -8.752
  620    H    GLN  78           H        GLN  78  -4.241  -1.455  -9.447
  621    HA   GLN  78           HA       GLN  78  -3.771  -0.347 -11.914
  622   1HB   GLN  78          1HB       GLN  78  -5.132   0.968  -9.558
  623   2HB   GLN  78          2HB       GLN  78  -5.269   1.499 -11.228
  624   1HG   GLN  78          1HG       GLN  78  -6.285  -0.655 -11.815
  625   2HG   GLN  78          2HG       GLN  78  -6.181  -1.148 -10.125
  626   2HE2  GLN  78          2HE2      GLN  78  -8.214   0.006 -12.391
  627   1HE2  GLN  78          1HE2      GLN  78  -9.363   0.814 -11.385
  628    H    PHE  79           H        PHE  79  -2.848   1.055  -8.771
  629    HA   PHE  79           HA       PHE  79  -1.551   3.313  -9.891
  630   1HB   PHE  79          1HB       PHE  79  -1.296   2.013  -7.174
  631   2HB   PHE  79          2HB       PHE  79  -0.488   3.512  -7.611
  632    HD1  PHE  79           HD1      PHE  79  -3.950   2.110  -7.889
  633    HD2  PHE  79           HD2      PHE  79  -1.477   5.399  -6.806
  634    HE1  PHE  79           HE1      PHE  79  -5.944   3.384  -7.224
  635    HE2  PHE  79           HE2      PHE  79  -3.468   6.679  -6.137
  636    HZ   PHE  79           HZ       PHE  79  -5.705   5.672  -6.344
  637    H    LEU  80           H        LEU  80  -0.432   0.144  -8.835
  638    HA   LEU  80           HA       LEU  80   2.323   0.574  -9.121
  639   1HB   LEU  80          1HB       LEU  80   0.819  -2.010  -9.530
  640   2HB   LEU  80          2HB       LEU  80   2.524  -1.847  -9.159
  641    HG   LEU  80           HG       LEU  80   0.241  -1.105  -7.327
  642   1HD1  LEU  80          1HD1      LEU  80   1.933  -3.515  -7.640
  643   2HD1  LEU  80          2HD1      LEU  80   1.567  -2.983  -5.998
  644   3HD1  LEU  80          3HD1      LEU  80   0.257  -3.363  -7.115
  645   1HD2  LEU  80          1HD2      LEU  80   2.425   0.255  -7.221
  646   2HD2  LEU  80          2HD2      LEU  80   1.791  -0.440  -5.729
  647   3HD2  LEU  80          3HD2      LEU  80   3.135  -1.220  -6.564
  648    HA   PRO  81           HA       PRO  81   2.942   0.878 -13.488
  649   1HB   PRO  81          1HB       PRO  81   5.423  -0.316 -13.646
  650   2HB   PRO  81          2HB       PRO  81   5.148   1.364 -13.173
  651   1HG   PRO  81          1HG       PRO  81   5.612  -1.038 -11.455
  652   2HG   PRO  81          2HG       PRO  81   6.245   0.609 -11.276
  653   1HD   PRO  81          1HD       PRO  81   4.201  -0.279  -9.782
  654   2HD   PRO  81          2HD       PRO  81   4.271   1.401 -10.353
  655    H    GLU  82           H        GLU  82   1.210  -0.697 -13.850
  656    HA   GLU  82           HA       GLU  82   1.571  -3.465 -13.932
  657   1HB   GLU  82          1HB       GLU  82  -0.623  -2.316 -14.039
  658   2HB   GLU  82          2HB       GLU  82  -0.244  -1.789 -15.673
  659   1HG   GLU  82          1HG       GLU  82  -1.704  -3.686 -15.766
  660   2HG   GLU  82          2HG       GLU  82  -0.116  -4.146 -16.375
  661    H    ALA  83           H        ALA  83   2.277  -4.881 -15.454
  662    HA   ALA  83           HA       ALA  83   4.236  -4.107 -17.281
  663   1HB   ALA  83          1HB       ALA  83   2.696  -6.626 -17.715
  664   2HB   ALA  83          2HB       ALA  83   3.656  -6.436 -16.248
  665   3HB   ALA  83          3HB       ALA  83   4.431  -6.334 -17.829
  666    H    LYS  84           H        LYS  84   0.792  -4.690 -17.720
  667    HA   LYS  84           HA       LYS  84   0.717  -3.062 -20.064
  668   1HB   LYS  84          1HB       LYS  84  -0.052  -4.740 -21.651
  669   2HB   LYS  84          2HB       LYS  84   1.553  -5.148 -21.069
  670   1HG   LYS  84          1HG       LYS  84  -0.978  -6.372 -19.993
  671   2HG   LYS  84          2HG       LYS  84  -0.014  -7.075 -21.293
  672   1HD   LYS  84          1HD       LYS  84   1.913  -7.205 -19.785
  673   2HD   LYS  84          2HD       LYS  84   0.943  -6.505 -18.488
  674   1HE   LYS  84          1HE       LYS  84   0.358  -9.105 -19.900
  675   2HE   LYS  84          2HE       LYS  84   1.117  -8.955 -18.316
  676   1HZ   LYS  84          1HZ       LYS  84  -0.899  -7.867 -17.511
  677   2HZ   LYS  84          2HZ       LYS  84  -1.625  -8.057 -19.027
  678   3HZ   LYS  84          3HZ       LYS  84  -1.233  -9.418 -18.102
  679    H    ARG  85           H        ARG  85  -1.209  -2.111 -20.182
  680    HA   ARG  85           HA       ARG  85  -3.198  -2.651 -18.240
  681   1HB   ARG  85          1HB       ARG  85  -2.758  -0.404 -19.189
  682   2HB   ARG  85          2HB       ARG  85  -3.408  -0.947 -20.729
  683   1HG   ARG  85          1HG       ARG  85  -5.093   0.301 -19.602
  684   2HG   ARG  85          2HG       ARG  85  -5.570  -1.396 -19.595
  685   1HD   ARG  85          1HD       ARG  85  -6.029  -0.524 -17.429
  686   2HD   ARG  85          2HD       ARG  85  -4.615  -1.565 -17.285
  687    HE   ARG  85           HE       ARG  85  -4.722   1.306 -16.922
  688   1HH1  ARG  85          1HH1      ARG  85  -2.708  -1.515 -17.293
  689   2HH1  ARG  85          2HH1      ARG  85  -1.273  -0.718 -16.748
  690   1HH2  ARG  85          1HH2      ARG  85  -2.839   2.354 -16.193
  691   2HH2  ARG  85          2HH2      ARG  85  -1.348   1.475 -16.118
  692    H1   ASN   1           H1       ASN   1   4.677   6.391  -5.765
  693    H2   ASN   1           H2       ASN   1   4.657   5.329  -7.081
  694    H3   ASN   1           H3       ASN   1   4.485   6.993  -7.334
  695    HA   ASN   1           HA       ASN   1   2.330   7.031  -6.784
  696   1HB   ASN   1          1HB       ASN   1   1.225   4.896  -7.457
  697   2HB   ASN   1          2HB       ASN   1   2.466   5.428  -8.586
  698   2HD2  ASN   1          2HD2      ASN   1   3.814   3.933  -9.248
  699   1HD2  ASN   1          1HD2      ASN   1   4.203   2.468  -8.421
  700    H    ILE   2           H        ILE   2   3.966   4.449  -5.033
  701    HA   ILE   2           HA       ILE   2   1.930   3.852  -3.193
  702    HB   ILE   2           HB       ILE   2   4.930   3.643  -2.899
  703   1HG1  ILE   2          1HG1      ILE   2   3.994   2.252  -4.680
  704   2HG1  ILE   2          2HG1      ILE   2   4.541   1.251  -3.339
  705   1HG2  ILE   2          1HG2      ILE   2   2.714   2.765  -1.080
  706   2HG2  ILE   2          2HG2      ILE   2   4.275   1.943  -1.093
  707   3HG2  ILE   2          3HG2      ILE   2   4.185   3.657  -0.687
  708   1HD1  ILE   2          1HD1      ILE   2   2.208   1.085  -2.559
  709   2HD1  ILE   2          2HD1      ILE   2   1.699   2.006  -3.975
  710   3HD1  ILE   2          3HD1      ILE   2   2.447   0.421  -4.175
  711    H    GLN   3           H        GLN   3   4.424   6.344  -3.194
  712    HA   GLN   3           HA       GLN   3   4.348   7.209  -0.587
  713   1HB   GLN   3          1HB       GLN   3   5.857   8.099  -2.345
  714   2HB   GLN   3          2HB       GLN   3   4.498   8.966  -3.047
  715   1HG   GLN   3          1HG       GLN   3   5.302   9.416  -0.202
  716   2HG   GLN   3          2HG       GLN   3   6.141  10.225  -1.521
  717   2HE2  GLN   3          2HE2      GLN   3   3.257   9.987  -2.819
  718   1HE2  GLN   3          1HE2      GLN   3   2.492  11.417  -2.227
  719    H    MET   4           H        MET   4   2.082   7.887  -3.197
  720    HA   MET   4           HA       MET   4   0.511   9.758  -1.735
  721   1HB   MET   4          1HB       MET   4  -0.244   8.085  -4.138
  722   2HB   MET   4          2HB       MET   4  -1.124   9.486  -3.543
  723   1HG   MET   4          1HG       MET   4   0.831  10.893  -4.008
  724   2HG   MET   4          2HG       MET   4   1.674   9.483  -4.649
  725   1HE   MET   4          1HE       MET   4   0.558   7.942  -6.272
  726   2HE   MET   4          2HE       MET   4  -1.166   8.196  -6.541
  727   3HE   MET   4          3HE       MET   4  -0.010   8.567  -7.820
  728    H    LEU   5           H        LEU   5   0.236   6.279  -2.371
  729    HA   LEU   5           HA       LEU   5  -2.277   5.929  -1.136
  730   1HB   LEU   5          1HB       LEU   5  -1.206   4.316  -2.702
  731   2HB   LEU   5          2HB       LEU   5  -0.072   3.888  -1.433
  732    HG   LEU   5           HG       LEU   5  -1.843   2.973  -0.072
  733   1HD1  LEU   5          1HD1      LEU   5  -3.520   4.710  -0.941
  734   2HD1  LEU   5          2HD1      LEU   5  -3.819   3.563  -2.246
  735   3HD1  LEU   5          3HD1      LEU   5  -4.116   3.093  -0.572
  736   1HD2  LEU   5          1HD2      LEU   5  -1.065   1.963  -2.577
  737   2HD2  LEU   5          2HD2      LEU   5  -1.693   1.064  -1.194
  738   3HD2  LEU   5          3HD2      LEU   5  -2.798   1.663  -2.432
  739    H    LEU   6           H        LEU   6   0.999   5.272   0.108
  740    HA   LEU   6           HA       LEU   6   0.241   4.489   2.675
  741   1HB   LEU   6          1HB       LEU   6   2.493   4.151   1.779
  742   2HB   LEU   6          2HB       LEU   6   2.767   5.882   1.773
  743    HG   LEU   6           HG       LEU   6   2.735   5.948   4.193
  744   1HD1  LEU   6          1HD1      LEU   6   1.258   3.583   3.972
  745   2HD1  LEU   6          2HD1      LEU   6   2.768   3.132   4.762
  746   3HD1  LEU   6          3HD1      LEU   6   1.758   4.402   5.452
  747   1HD2  LEU   6          1HD2      LEU   6   4.571   4.246   2.677
  748   2HD2  LEU   6          2HD2      LEU   6   4.907   5.558   3.810
  749   3HD2  LEU   6          3HD2      LEU   6   4.568   3.937   4.415
  750    H    GLU   7           H        GLU   7   0.866   7.663   1.298
  751    HA   GLU   7           HA       GLU   7   0.681   9.143   3.704
  752   1HB   GLU   7          1HB       GLU   7   1.705  10.057   1.672
  753   2HB   GLU   7          2HB       GLU   7   0.157   9.986   0.844
  754   1HG   GLU   7          1HG       GLU   7  -0.757  11.620   2.418
  755   2HG   GLU   7          2HG       GLU   7   0.805  11.699   3.234
  756    H    ALA   8           H        ALA   8  -1.648   8.042   1.329
  757    HA   ALA   8           HA       ALA   8  -3.895   9.513   2.083
  758   1HB   ALA   8          1HB       ALA   8  -3.359   7.060   0.572
  759   2HB   ALA   8          2HB       ALA   8  -4.448   8.400   0.214
  760   3HB   ALA   8          3HB       ALA   8  -4.957   7.120   1.317
  761    H    ALA   9           H        ALA   9  -2.648   6.442   3.336
  762    HA   ALA   9           HA       ALA   9  -4.745   5.762   5.028
  763   1HB   ALA   9          1HB       ALA   9  -2.439   4.585   4.415
  764   2HB   ALA   9          2HB       ALA   9  -1.991   5.243   5.989
  765   3HB   ALA   9          3HB       ALA   9  -3.370   4.153   5.850
  766    H    ASP  10           H        ASP  10  -1.905   7.788   5.674
  767    HA   ASP  10           HA       ASP  10  -2.410   8.301   8.379
  768   1HB   ASP  10          1HB       ASP  10  -0.279   8.831   7.223
  769   2HB   ASP  10          2HB       ASP  10  -1.090  10.132   6.358
  770    H    TYR  11           H        TYR  11  -3.568   9.855   5.447
  771    HA   TYR  11           HA       TYR  11  -4.777  12.110   6.562
  772   1HB   TYR  11          1HB       TYR  11  -4.481  11.916   4.177
  773   2HB   TYR  11          2HB       TYR  11  -5.517  10.494   4.118
  774    HD1  TYR  11           HD1      TYR  11  -5.749  14.010   5.393
  775    HD2  TYR  11           HD2      TYR  11  -7.611  10.835   3.260
  776    HE1  TYR  11           HE1      TYR  11  -7.704  15.444   4.977
  777    HE2  TYR  11           HE2      TYR  11  -9.566  12.260   2.832
  778    HH   TYR  11           HH       TYR  11  -9.566  15.558   3.230
  779    H    LEU  12           H        LEU  12  -6.286   8.987   5.717
  780    HA   LEU  12           HA       LEU  12  -8.810   9.596   6.782
  781   1HB   LEU  12          1HB       LEU  12  -7.461   6.938   6.330
  782   2HB   LEU  12          2HB       LEU  12  -9.142   7.108   6.798
  783    HG   LEU  12           HG       LEU  12  -7.922   8.153   4.237
  784   1HD1  LEU  12          1HD1      LEU  12  -9.333   5.649   4.970
  785   2HD1  LEU  12          2HD1      LEU  12  -9.750   6.395   3.426
  786   3HD1  LEU  12          3HD1      LEU  12  -8.079   5.936   3.762
  787   1HD2  LEU  12          1HD2      LEU  12 -10.500   8.607   5.577
  788   2HD2  LEU  12          2HD2      LEU  12  -9.655   9.580   4.373
  789   3HD2  LEU  12          3HD2      LEU  12 -10.600   8.179   3.869
  790    H    GLU  13           H        GLU  13  -6.008   7.973   8.229
  791    HA   GLU  13           HA       GLU  13  -7.227   7.299  10.672
  792   1HB   GLU  13          1HB       GLU  13  -4.323   7.867  10.052
  793   2HB   GLU  13          2HB       GLU  13  -4.902   7.147  11.548
  794   1HG   GLU  13          1HG       GLU  13  -5.796   5.253  10.280
  795   2HG   GLU  13          2HG       GLU  13  -5.182   5.972   8.792

  No H/Q in entry =         795
  Start of MODEL   16
    1    H1   GLU   1           H1       GLU   1  -1.564  17.582  -6.000
    2    H2   GLU   1           H2       GLU   1  -0.645  18.817  -6.702
    3    H3   GLU   1           H3       GLU   1  -0.076  17.225  -6.720
    4    HA   GLU   1           HA       GLU   1   0.784  17.354  -4.693
    5   1HB   GLU   1          1HB       GLU   1   0.151  20.280  -5.134
    6   2HB   GLU   1          2HB       GLU   1   1.339  19.660  -3.995
    7   1HG   GLU   1          1HG       GLU   1   2.613  18.706  -5.853
    8   2HG   GLU   1          2HG       GLU   1   1.428  19.349  -6.989
    9    H    SER   2           H        SER   2  -2.143  19.358  -4.784
   10    HA   SER   2           HA       SER   2  -3.192  18.056  -2.449
   11   1HB   SER   2          1HB       SER   2  -2.466  20.992  -2.289
   12   2HB   SER   2          2HB       SER   2  -3.436  20.124  -1.100
   13    HG   SER   2           HG       SER   2  -1.625  18.793  -0.706
   14    H    ASP   3           H        ASP   3  -4.046  18.278  -5.112
   15    HA   ASP   3           HA       ASP   3  -6.740  18.967  -4.783
   16   1HB   ASP   3          1HB       ASP   3  -5.797  21.286  -4.828
   17   2HB   ASP   3          2HB       ASP   3  -5.212  20.972  -6.458
   18    H    SER   4           H        SER   4  -5.451  16.756  -5.755
   19    HA   SER   4           HA       SER   4  -6.119  16.826  -8.618
   20   1HB   SER   4          1HB       SER   4  -3.691  16.485  -8.219
   21   2HB   SER   4          2HB       SER   4  -4.100  15.024  -7.343
   22    HG   SER   4           HG       SER   4  -4.481  15.573 -10.081
   23    H    VAL   5           H        VAL   5  -7.046  14.981  -9.517
   24    HA   VAL   5           HA       VAL   5  -9.008  13.720  -7.945
   25    HB   VAL   5           HB       VAL   5  -7.881  12.906 -10.630
   26   1HG1  VAL   5          1HG1      VAL   5  -9.080  11.096  -9.356
   27   2HG1  VAL   5          2HG1      VAL   5 -10.529  12.100  -9.440
   28   3HG1  VAL   5          3HG1      VAL   5  -9.782  11.505 -10.922
   29   1HG2  VAL   5          1HG2      VAL   5 -10.319  14.532  -9.912
   30   2HG2  VAL   5          2HG2      VAL   5  -8.843  15.134 -10.665
   31   3HG2  VAL   5          3HG2      VAL   5  -9.884  14.010 -11.538
   32    H    GLU   6           H        GLU   6  -5.753  12.844  -8.894
   33    HA   GLU   6           HA       GLU   6  -5.787  10.130  -8.202
   34   1HB   GLU   6          1HB       GLU   6  -3.480  12.075  -8.118
   35   2HB   GLU   6          2HB       GLU   6  -3.342  10.322  -8.088
   36   1HG   GLU   6          1HG       GLU   6  -4.330  10.185 -10.303
   37   2HG   GLU   6          2HG       GLU   6  -4.522  11.937 -10.337
   38    H    PHE   7           H        PHE   7  -5.249  13.015  -6.255
   39    HA   PHE   7           HA       PHE   7  -4.293  11.779  -3.927
   40   1HB   PHE   7          1HB       PHE   7  -4.222  14.212  -4.251
   41   2HB   PHE   7          2HB       PHE   7  -5.979  14.282  -4.210
   42    HD1  PHE   7           HD1      PHE   7  -3.783  12.292  -1.975
   43    HD2  PHE   7           HD2      PHE   7  -6.342  15.672  -2.368
   44    HE1  PHE   7           HE1      PHE   7  -3.717  12.622   0.462
   45    HE2  PHE   7           HE2      PHE   7  -6.280  16.006   0.068
   46    HZ   PHE   7           HZ       PHE   7  -4.966  14.481   1.486
   47    H    ASN   8           H        ASN   8  -7.622  12.837  -4.665
   48    HA   ASN   8           HA       ASN   8  -8.787  11.501  -2.454
   49   1HB   ASN   8          1HB       ASN   8 -10.031  12.422  -5.060
   50   2HB   ASN   8          2HB       ASN   8 -10.937  11.889  -3.646
   51   2HD2  ASN   8          2HD2      ASN   8  -9.969  14.528  -5.261
   52   1HD2  ASN   8          1HD2      ASN   8  -9.926  15.680  -3.974
   53    H    ASN   9           H        ASN   9  -7.907  10.600  -5.659
   54    HA   ASN   9           HA       ASN   9  -9.402   8.278  -6.058
   55   1HB   ASN   9          1HB       ASN   9  -7.941   9.480  -7.729
   56   2HB   ASN   9          2HB       ASN   9  -6.550   8.766  -6.944
   57   2HD2  ASN   9          2HD2      ASN   9  -7.999   8.575  -9.607
   58   1HD2  ASN   9          1HD2      ASN   9  -8.007   6.885  -9.904
   59    H    ALA  10           H        ALA  10  -6.366   8.869  -4.391
   60    HA   ALA  10           HA       ALA  10  -5.820   6.136  -3.787
   61   1HB   ALA  10          1HB       ALA  10  -4.456   7.658  -1.919
   62   2HB   ALA  10          2HB       ALA  10  -3.843   7.122  -3.482
   63   3HB   ALA  10          3HB       ALA  10  -4.579   8.719  -3.324
   64    H    ILE  11           H        ILE  11  -7.180   8.864  -1.963
   65    HA   ILE  11           HA       ILE  11  -7.487   7.698   0.519
   66    HB   ILE  11           HB       ILE  11  -9.520   9.527  -0.763
   67   1HG1  ILE  11          1HG1      ILE  11  -7.241  10.450  -0.970
   68   2HG1  ILE  11          2HG1      ILE  11  -8.228  11.393   0.136
   69   1HG2  ILE  11          1HG2      ILE  11  -9.134   8.432   1.906
   70   2HG2  ILE  11          2HG2      ILE  11  -9.284  10.190   1.886
   71   3HG2  ILE  11          3HG2      ILE  11 -10.554   9.189   1.183
   72   1HD1  ILE  11          1HD1      ILE  11  -6.745   9.328   1.511
   73   2HD1  ILE  11          2HD1      ILE  11  -5.692  10.414   0.602
   74   3HD1  ILE  11          3HD1      ILE  11  -6.808  11.066   1.804
   75    H    SER  12           H        SER  12  -9.698   7.565  -2.250
   76    HA   SER  12           HA       SER  12 -11.785   6.172  -1.054
   77   1HB   SER  12          1HB       SER  12 -12.457   5.530  -3.321
   78   2HB   SER  12          2HB       SER  12 -11.946   7.217  -3.280
   79    HG   SER  12           HG       SER  12 -11.110   5.649  -4.997
   80    H    TYR  13           H        TYR  13  -8.800   4.965  -2.521
   81    HA   TYR  13           HA       TYR  13  -9.474   2.233  -2.506
   82   1HB   TYR  13          1HB       TYR  13  -7.542   3.152  -3.738
   83   2HB   TYR  13          2HB       TYR  13  -6.738   3.492  -2.213
   84    HD1  TYR  13           HD1      TYR  13  -8.542   0.521  -3.602
   85    HD2  TYR  13           HD2      TYR  13  -4.986   2.046  -1.832
   86    HE1  TYR  13           HE1      TYR  13  -7.584  -1.742  -3.593
   87    HE2  TYR  13           HE2      TYR  13  -4.015  -0.214  -1.822
   88    HH   TYR  13           HH       TYR  13  -4.256  -2.330  -2.576
   89    H    VAL  14           H        VAL  14  -7.538   4.120  -0.202
   90    HA   VAL  14           HA       VAL  14  -7.121   2.112   1.684
   91    HB   VAL  14           HB       VAL  14  -7.445   5.061   2.261
   92   1HG1  VAL  14          1HG1      VAL  14  -7.308   3.164   4.110
   93   2HG1  VAL  14          2HG1      VAL  14  -5.584   3.304   3.763
   94   3HG1  VAL  14          3HG1      VAL  14  -6.493   4.716   4.301
   95   1HG2  VAL  14          1HG2      VAL  14  -5.818   4.511   0.432
   96   2HG2  VAL  14          2HG2      VAL  14  -5.114   5.318   1.834
   97   3HG2  VAL  14          3HG2      VAL  14  -4.901   3.581   1.617
   98    H    ASN  15           H        ASN  15  -9.798   4.375   1.320
   99    HA   ASN  15           HA       ASN  15 -11.157   3.878   3.707
  100   1HB   ASN  15          1HB       ASN  15 -11.651   5.661   2.013
  101   2HB   ASN  15          2HB       ASN  15 -12.435   4.448   1.042
  102   2HD2  ASN  15          2HD2      ASN  15 -13.153   6.884   2.837
  103   1HD2  ASN  15          1HD2      ASN  15 -14.596   6.334   3.592
  104    H    LYS  16           H        LYS  16 -11.704   2.474   0.505
  105    HA   LYS  16           HA       LYS  16 -13.664   0.629   1.186
  106   1HB   LYS  16          1HB       LYS  16 -11.465   0.225  -0.858
  107   2HB   LYS  16          2HB       LYS  16 -12.981  -0.662  -0.789
  108   1HG   LYS  16          1HG       LYS  16 -14.195   1.438  -1.202
  109   2HG   LYS  16          2HG       LYS  16 -12.651   2.269  -1.354
  110   1HD   LYS  16          1HD       LYS  16 -13.393   1.792  -3.543
  111   2HD   LYS  16          2HD       LYS  16 -12.101   0.643  -3.187
  112   1HE   LYS  16          1HE       LYS  16 -14.045  -0.387  -4.277
  113   2HE   LYS  16          2HE       LYS  16 -13.702  -1.083  -2.701
  114   1HZ   LYS  16          1HZ       LYS  16 -15.696   1.071  -3.065
  115   2HZ   LYS  16          2HZ       LYS  16 -16.109  -0.559  -3.255
  116   3HZ   LYS  16          3HZ       LYS  16 -15.532  -0.001  -1.765
  117    H    ILE  17           H        ILE  17 -10.166   0.399   1.484
  118    HA   ILE  17           HA       ILE  17 -10.005  -2.328   2.158
  119    HB   ILE  17           HB       ILE  17  -8.208  -0.042   2.987
  120   1HG1  ILE  17          1HG1      ILE  17  -7.933  -2.076   0.762
  121   2HG1  ILE  17          2HG1      ILE  17  -8.402  -0.394   0.544
  122   1HG2  ILE  17          1HG2      ILE  17  -7.983  -1.989   4.468
  123   2HG2  ILE  17          2HG2      ILE  17  -7.665  -3.006   3.064
  124   3HG2  ILE  17          3HG2      ILE  17  -6.535  -1.723   3.496
  125   1HD1  ILE  17          1HD1      ILE  17  -5.841  -0.945   1.929
  126   2HD1  ILE  17          2HD1      ILE  17  -5.923  -1.218   0.188
  127   3HD1  ILE  17          3HD1      ILE  17  -6.287   0.376   0.850
  128    H    LYS  18           H        LYS  18 -10.527   0.573   4.092
  129    HA   LYS  18           HA       LYS  18 -10.410  -0.673   6.628
  130   1HB   LYS  18          1HB       LYS  18 -10.218   1.768   6.252
  131   2HB   LYS  18          2HB       LYS  18 -11.909   1.819   5.799
  132   1HG   LYS  18          1HG       LYS  18 -12.497   0.998   8.059
  133   2HG   LYS  18          2HG       LYS  18 -10.792   1.092   8.500
  134   1HD   LYS  18          1HD       LYS  18 -12.483   3.411   7.562
  135   2HD   LYS  18          2HD       LYS  18 -12.069   3.066   9.242
  136   1HE   LYS  18          1HE       LYS  18  -9.698   3.336   8.714
  137   2HE   LYS  18          2HE       LYS  18 -10.106   3.665   7.030
  138   1HZ   LYS  18          1HZ       LYS  18 -11.298   5.314   9.151
  139   2HZ   LYS  18          2HZ       LYS  18  -9.704   5.612   8.673
  140   3HZ   LYS  18          3HZ       LYS  18 -10.959   5.716   7.544
  141    H    THR  19           H        THR  19 -13.149   0.374   4.661
  142    HA   THR  19           HA       THR  19 -15.171  -0.676   6.306
  143    HB   THR  19           HB       THR  19 -15.561   1.035   4.544
  144    HG1  THR  19           HG1      THR  19 -17.125  -1.346   4.386
  145   1HG2  THR  19          1HG2      THR  19 -14.593  -1.117   2.842
  146   2HG2  THR  19          2HG2      THR  19 -16.118  -0.433   2.279
  147   3HG2  THR  19          3HG2      THR  19 -14.717   0.613   2.519
  148    H    ARG  20           H        ARG  20 -13.279  -2.146   3.760
  149    HA   ARG  20           HA       ARG  20 -14.929  -4.427   3.408
  150   1HB   ARG  20          1HB       ARG  20 -13.400  -3.891   1.658
  151   2HB   ARG  20          2HB       ARG  20 -12.032  -3.875   2.768
  152   1HG   ARG  20          1HG       ARG  20 -12.103  -5.869   1.312
  153   2HG   ARG  20          2HG       ARG  20 -12.145  -6.255   3.033
  154   1HD   ARG  20          1HD       ARG  20 -13.739  -7.637   1.873
  155   2HD   ARG  20          2HD       ARG  20 -14.593  -6.476   2.891
  156    HE   ARG  20           HE       ARG  20 -15.618  -5.739   1.004
  157   1HH1  ARG  20          1HH1      ARG  20 -12.527  -7.071   0.088
  158   2HH1  ARG  20          2HH1      ARG  20 -12.752  -6.763  -1.601
  159   1HH2  ARG  20          1HH2      ARG  20 -15.919  -5.334  -1.218
  160   2HH2  ARG  20          2HH2      ARG  20 -14.680  -5.777  -2.344
  161    H    PHE  21           H        PHE  21 -11.958  -3.870   5.243
  162    HA   PHE  21           HA       PHE  21 -12.208  -6.466   6.524
  163   1HB   PHE  21          1HB       PHE  21 -10.062  -4.352   6.748
  164   2HB   PHE  21          2HB       PHE  21 -10.001  -5.944   7.493
  165    HD1  PHE  21           HD1      PHE  21 -10.386  -4.342   4.148
  166    HD2  PHE  21           HD2      PHE  21  -8.972  -7.664   6.378
  167    HE1  PHE  21           HE1      PHE  21  -9.347  -5.255   2.114
  168    HE2  PHE  21           HE2      PHE  21  -7.922  -8.589   4.358
  169    HZ   PHE  21           HZ       PHE  21  -8.111  -7.382   2.217
  170    H    LEU  22           H        LEU  22 -14.275  -4.682   7.216
  171    HA   LEU  22           HA       LEU  22 -13.811  -3.229   9.570
  172   1HB   LEU  22          1HB       LEU  22 -16.276  -4.455   8.384
  173   2HB   LEU  22          2HB       LEU  22 -16.330  -3.651   9.941
  174    HG   LEU  22           HG       LEU  22 -15.455  -2.354   7.357
  175   1HD1  LEU  22          1HD1      LEU  22 -17.921  -3.012   7.652
  176   2HD1  LEU  22          2HD1      LEU  22 -17.963  -1.746   8.880
  177   3HD1  LEU  22          3HD1      LEU  22 -17.547  -1.346   7.213
  178   1HD2  LEU  22          1HD2      LEU  22 -15.020  -1.628  10.059
  179   2HD2  LEU  22          2HD2      LEU  22 -14.659  -0.700   8.603
  180   3HD2  LEU  22          3HD2      LEU  22 -16.225  -0.523   9.395
  181    H    ASP  23           H        ASP  23 -14.568  -6.649   9.089
  182    HA   ASP  23           HA       ASP  23 -15.019  -7.165  11.868
  183   1HB   ASP  23          1HB       ASP  23 -14.396  -9.083   9.620
  184   2HB   ASP  23          2HB       ASP  23 -14.988  -9.528  11.216
  185    H    HIS  24           H        HIS  24 -12.304  -7.422   9.665
  186    HA   HIS  24           HA       HIS  24 -10.570  -8.112  11.932
  187   1HB   HIS  24          1HB       HIS  24  -9.078  -8.747   9.765
  188   2HB   HIS  24          2HB       HIS  24 -10.106  -9.889  10.621
  189    HD1  HIS  24           HD1      HIS  24 -10.287  -7.558   7.620
  190    HD2  HIS  24           HD2      HIS  24 -11.997 -11.043   9.074
  191    HE1  HIS  24           HE1      HIS  24 -11.784  -8.392   5.778
  192    HE2  HIS  24           HE2      HIS  24 -12.886 -10.448   6.724
  193    HA   PRO  25           HA       PRO  25  -9.501  -3.765  10.588
  194   1HB   PRO  25          1HB       PRO  25  -8.914  -2.952  13.118
  195   2HB   PRO  25          2HB       PRO  25 -10.518  -2.824  12.397
  196   1HG   PRO  25          1HG       PRO  25  -9.440  -4.912  14.253
  197   2HG   PRO  25          2HG       PRO  25 -11.020  -4.105  14.273
  198   1HD   PRO  25          1HD       PRO  25 -10.732  -6.580  13.285
  199   2HD   PRO  25          2HD       PRO  25 -11.850  -5.415  12.545
  200    H    GLU  26           H        GLU  26  -7.974  -6.117  12.694
  201    HA   GLU  26           HA       GLU  26  -5.436  -5.069  12.979
  202   1HB   GLU  26          1HB       GLU  26  -4.666  -7.405  13.206
  203   2HB   GLU  26          2HB       GLU  26  -6.134  -7.093  14.123
  204   1HG   GLU  26          1HG       GLU  26  -7.459  -8.143  12.359
  205   2HG   GLU  26          2HG       GLU  26  -5.985  -8.459  11.444
  206    H    ILE  27           H        ILE  27  -6.914  -6.557  10.193
  207    HA   ILE  27           HA       ILE  27  -4.597  -7.085   8.675
  208    HB   ILE  27           HB       ILE  27  -7.221  -6.233   7.474
  209   1HG1  ILE  27          1HG1      ILE  27  -7.300  -8.018   9.427
  210   2HG1  ILE  27          2HG1      ILE  27  -8.264  -8.226   7.975
  211   1HG2  ILE  27          1HG2      ILE  27  -5.052  -8.139   6.613
  212   2HG2  ILE  27          2HG2      ILE  27  -6.577  -7.909   5.760
  213   3HG2  ILE  27          3HG2      ILE  27  -5.438  -6.570   5.904
  214   1HD1  ILE  27          1HD1      ILE  27  -5.591  -9.516   8.443
  215   2HD1  ILE  27          2HD1      ILE  27  -7.155 -10.279   8.743
  216   3HD1  ILE  27          3HD1      ILE  27  -6.702  -9.812   7.101
  217    H    TYR  28           H        TYR  28  -6.652  -4.244   9.016
  218    HA   TYR  28           HA       TYR  28  -5.652  -2.646   6.978
  219   1HB   TYR  28          1HB       TYR  28  -7.647  -2.145   8.375
  220   2HB   TYR  28          2HB       TYR  28  -6.570  -1.732   9.698
  221    HD1  TYR  28           HD1      TYR  28  -7.311  -0.814   6.166
  222    HD2  TYR  28           HD2      TYR  28  -5.880   0.470   9.960
  223    HE1  TYR  28           HE1      TYR  28  -7.200   1.498   5.334
  224    HE2  TYR  28           HE2      TYR  28  -5.773   2.787   9.143
  225    HH   TYR  28           HH       TYR  28  -7.229   4.038   6.961
  226    H    ARG  29           H        ARG  29  -4.586  -2.899  10.352
  227    HA   ARG  29           HA       ARG  29  -2.583  -0.979  10.322
  228   1HB   ARG  29          1HB       ARG  29  -2.753  -3.563  11.871
  229   2HB   ARG  29          2HB       ARG  29  -1.598  -2.286  12.207
  230   1HG   ARG  29          1HG       ARG  29  -4.582  -1.922  12.275
  231   2HG   ARG  29          2HG       ARG  29  -3.595  -2.297  13.686
  232   1HD   ARG  29          1HD       ARG  29  -3.205   0.126  11.933
  233   2HD   ARG  29          2HD       ARG  29  -4.145   0.123  13.423
  234    HE   ARG  29           HE       ARG  29  -2.186   0.030  14.643
  235   1HH1  ARG  29          1HH1      ARG  29  -1.481  -0.282  11.241
  236   2HH1  ARG  29          2HH1      ARG  29   0.231  -0.151  11.457
  237   1HH2  ARG  29          1HH2      ARG  29   0.059   0.211  14.927
  238   2HH2  ARG  29          2HH2      ARG  29   1.106   0.133  13.550
  239    H    SER  30           H        SER  30  -2.160  -4.496   9.911
  240    HA   SER  30           HA       SER  30   0.531  -4.569   9.397
  241   1HB   SER  30          1HB       SER  30   0.040  -6.635   8.038
  242   2HB   SER  30          2HB       SER  30  -0.689  -6.615   9.644
  243    HG   SER  30           HG       SER  30  -2.099  -5.707   7.377
  244    H    PHE  31           H        PHE  31  -2.055  -4.094   6.991
  245    HA   PHE  31           HA       PHE  31  -0.545  -3.926   4.686
  246   1HB   PHE  31          1HB       PHE  31  -2.926  -3.906   4.526
  247   2HB   PHE  31          2HB       PHE  31  -3.050  -2.466   5.529
  248    HD1  PHE  31           HD1      PHE  31  -1.579  -3.599   2.297
  249    HD2  PHE  31           HD2      PHE  31  -3.359  -0.426   4.512
  250    HE1  PHE  31           HE1      PHE  31  -1.605  -2.205   0.271
  251    HE2  PHE  31           HE2      PHE  31  -3.392   0.970   2.484
  252    HZ   PHE  31           HZ       PHE  31  -2.512   0.082   0.363
  253    H    LEU  32           H        LEU  32  -1.365  -1.340   6.975
  254    HA   LEU  32           HA       LEU  32  -0.094   0.766   5.653
  255   1HB   LEU  32          1HB       LEU  32  -0.355   0.428   8.638
  256   2HB   LEU  32          2HB       LEU  32  -0.160   1.936   7.767
  257    HG   LEU  32           HG       LEU  32  -2.571   0.122   7.707
  258   1HD1  LEU  32          1HD1      LEU  32  -1.886   2.647   9.104
  259   2HD1  LEU  32          2HD1      LEU  32  -3.535   2.441   8.513
  260   3HD1  LEU  32          3HD1      LEU  32  -2.852   1.274   9.645
  261   1HD2  LEU  32          1HD2      LEU  32  -1.658   1.792   5.682
  262   2HD2  LEU  32          2HD2      LEU  32  -3.280   1.121   5.857
  263   3HD2  LEU  32          3HD2      LEU  32  -2.912   2.719   6.504
  264    H    GLU  33           H        GLU  33   1.120  -1.590   7.975
  265    HA   GLU  33           HA       GLU  33   3.703  -0.492   8.299
  266   1HB   GLU  33          1HB       GLU  33   2.782  -3.370   8.532
  267   2HB   GLU  33          2HB       GLU  33   4.326  -2.753   9.105
  268   1HG   GLU  33          1HG       GLU  33   1.632  -1.841  10.089
  269   2HG   GLU  33          2HG       GLU  33   2.658  -3.027  10.894
  270    H    ILE  34           H        ILE  34   2.248  -2.506   5.832
  271    HA   ILE  34           HA       ILE  34   4.596  -3.473   4.617
  272    HB   ILE  34           HB       ILE  34   1.970  -2.819   3.294
  273   1HG1  ILE  34          1HG1      ILE  34   2.967  -5.365   4.588
  274   2HG1  ILE  34          2HG1      ILE  34   1.705  -4.310   5.221
  275   1HG2  ILE  34          1HG2      ILE  34   3.868  -3.151   1.745
  276   2HG2  ILE  34          2HG2      ILE  34   4.149  -4.737   2.465
  277   3HG2  ILE  34          3HG2      ILE  34   2.645  -4.415   1.601
  278   1HD1  ILE  34          1HD1      ILE  34   1.203  -5.183   2.507
  279   2HD1  ILE  34          2HD1      ILE  34   1.330  -6.512   3.658
  280   3HD1  ILE  34          3HD1      ILE  34   0.161  -5.218   3.926
  281    H    LEU  35           H        LEU  35   2.512  -0.725   3.710
  282    HA   LEU  35           HA       LEU  35   4.222   0.334   1.739
  283   1HB   LEU  35          1HB       LEU  35   2.228   1.764   3.513
  284   2HB   LEU  35          2HB       LEU  35   2.944   2.432   2.055
  285    HG   LEU  35           HG       LEU  35   1.215  -0.045   2.077
  286   1HD1  LEU  35          1HD1      LEU  35   0.524   2.838   1.961
  287   2HD1  LEU  35          2HD1      LEU  35  -0.343   1.738   0.889
  288   3HD1  LEU  35          3HD1      LEU  35  -0.380   1.479   2.634
  289   1HD2  LEU  35          1HD2      LEU  35   2.933   1.005   0.143
  290   2HD2  LEU  35          2HD2      LEU  35   1.685  -0.219  -0.089
  291   3HD2  LEU  35          3HD2      LEU  35   1.311   1.484  -0.364
  292    H    HIS  36           H        HIS  36   3.986   0.744   5.191
  293    HA   HIS  36           HA       HIS  36   5.791   2.868   5.534
  294   1HB   HIS  36          1HB       HIS  36   4.468   0.851   7.218
  295   2HB   HIS  36          2HB       HIS  36   6.005   1.410   7.854
  296    HD1  HIS  36           HD1      HIS  36   6.074   4.290   7.574
  297    HD2  HIS  36           HD2      HIS  36   2.484   2.319   8.246
  298    HE1  HIS  36           HE1      HIS  36   4.525   6.027   8.524
  299    HE2  HIS  36           HE2      HIS  36   2.343   4.820   8.895
  300    H    THR  37           H        THR  37   6.237  -0.637   5.439
  301    HA   THR  37           HA       THR  37   8.963  -0.718   6.129
  302    HB   THR  37           HB       THR  37   7.388  -2.606   4.360
  303    HG1  THR  37           HG1      THR  37   7.740  -2.341   7.128
  304   1HG2  THR  37          1HG2      THR  37   9.911  -2.706   4.142
  305   2HG2  THR  37          2HG2      THR  37   9.948  -3.205   5.833
  306   3HG2  THR  37          3HG2      THR  37   9.121  -4.203   4.636
  307    H    TYR  38           H        TYR  38   7.270  -0.285   3.092
  308    HA   TYR  38           HA       TYR  38   9.338  -0.503   1.267
  309   1HB   TYR  38          1HB       TYR  38   7.108  -0.276   0.470
  310   2HB   TYR  38          2HB       TYR  38   6.878   1.238   1.328
  311    HD1  TYR  38           HD1      TYR  38   9.234  -0.167  -1.212
  312    HD2  TYR  38           HD2      TYR  38   6.869   3.140   0.052
  313    HE1  TYR  38           HE1      TYR  38   9.929   1.081  -3.213
  314    HE2  TYR  38           HE2      TYR  38   7.549   4.396  -1.953
  315    HH   TYR  38           HH       TYR  38   9.134   4.458  -3.639
  316    H    GLN  39           H        GLN  39   8.088   2.439   2.783
  317    HA   GLN  39           HA       GLN  39   9.980   4.208   1.770
  318   1HB   GLN  39          1HB       GLN  39   8.467   4.359   4.372
  319   2HB   GLN  39          2HB       GLN  39   9.308   5.703   3.609
  320   1HG   GLN  39          1HG       GLN  39   7.028   4.170   2.388
  321   2HG   GLN  39          2HG       GLN  39   6.898   5.722   3.201
  322   2HE2  GLN  39          2HE2      GLN  39   9.728   6.091   1.852
  323   1HE2  GLN  39          1HE2      GLN  39   9.300   6.707   0.297
  324    H    LYS  40           H        LYS  40  10.044   2.357   4.798
  325    HA   LYS  40           HA       LYS  40  12.311   3.498   5.944
  326   1HB   LYS  40          1HB       LYS  40  11.336   0.647   6.157
  327   2HB   LYS  40          2HB       LYS  40  12.492   1.407   7.241
  328   1HG   LYS  40          1HG       LYS  40  10.803   2.981   7.982
  329   2HG   LYS  40          2HG       LYS  40   9.643   2.300   6.842
  330   1HD   LYS  40          1HD       LYS  40   9.218   1.414   9.049
  331   2HD   LYS  40          2HD       LYS  40   9.824   0.127   8.007
  332   1HE   LYS  40          1HE       LYS  40  10.859   0.019  10.206
  333   2HE   LYS  40          2HE       LYS  40  12.055   0.397   8.968
  334   1HZ   LYS  40          1HZ       LYS  40  10.752   2.415  10.714
  335   2HZ   LYS  40          2HZ       LYS  40  12.285   1.755  10.992
  336   3HZ   LYS  40          3HZ       LYS  40  12.005   2.692   9.612
  337    H    GLU  41           H        GLU  41  12.140   0.505   4.005
  338    HA   GLU  41           HA       GLU  41  14.950   0.144   3.923
  339   1HB   GLU  41          1HB       GLU  41  12.793  -0.988   2.136
  340   2HB   GLU  41          2HB       GLU  41  14.460  -1.542   2.178
  341   1HG   GLU  41          1HG       GLU  41  12.536  -1.641   4.490
  342   2HG   GLU  41          2HG       GLU  41  12.945  -2.997   3.442
  343    H    GLN  42           H        GLN  42  12.657   1.674   1.742
  344    HA   GLN  42           HA       GLN  42  14.218   1.985  -0.518
  345   1HB   GLN  42          1HB       GLN  42  11.819   2.536  -0.385
  346   2HB   GLN  42          2HB       GLN  42  12.203   3.942   0.599
  347   1HG   GLN  42          1HG       GLN  42  13.530   4.838  -1.291
  348   2HG   GLN  42          2HG       GLN  42  12.989   3.474  -2.267
  349   2HE2  GLN  42          2HE2      GLN  42  10.568   4.327  -0.151
  350   1HE2  GLN  42          1HE2      GLN  42   9.641   5.339  -1.197
  351    H    LEU  43           H        LEU  43  13.768   4.434   2.046
  352    HA   LEU  43           HA       LEU  43  15.781   6.137   1.073
  353   1HB   LEU  43          1HB       LEU  43  14.454   5.966   3.736
  354   2HB   LEU  43          2HB       LEU  43  15.549   7.238   3.286
  355    HG   LEU  43           HG       LEU  43  12.918   6.639   1.943
  356   1HD1  LEU  43          1HD1      LEU  43  13.168   7.762   4.358
  357   2HD1  LEU  43          2HD1      LEU  43  13.420   9.187   3.351
  358   3HD1  LEU  43          3HD1      LEU  43  11.936   8.248   3.195
  359   1HD2  LEU  43          1HD2      LEU  43  15.077   8.651   1.445
  360   2HD2  LEU  43          2HD2      LEU  43  14.302   7.555   0.304
  361   3HD2  LEU  43          3HD2      LEU  43  13.410   8.937   0.941
  362    H    HIS  44           H        HIS  44  17.800   6.667   1.966
  363    HA   HIS  44           HA       HIS  44  19.013   5.171   4.040
  364   1HB   HIS  44          1HB       HIS  44  20.784   4.107   2.528
  365   2HB   HIS  44          2HB       HIS  44  19.206   3.335   2.587
  366    HD1  HIS  44           HD1      HIS  44  20.838   2.626   0.234
  367    HD2  HIS  44           HD2      HIS  44  18.392   5.985   0.251
  368    HE1  HIS  44           HE1      HIS  44  20.371   3.128  -2.184
  369    HE2  HIS  44           HE2      HIS  44  18.792   5.090  -2.142
  370    H    THR  45           H        THR  45  19.785   6.905   1.018
  371    HA   THR  45           HA       THR  45  21.185   8.955   2.491
  372    HB   THR  45           HB       THR  45  23.275   8.738   1.114
  373    HG1  THR  45           HG1      THR  45  21.854   6.562   0.163
  374   1HG2  THR  45          1HG2      THR  45  22.784   7.682   3.507
  375   2HG2  THR  45          2HG2      THR  45  23.095   6.187   2.622
  376   3HG2  THR  45          3HG2      THR  45  24.323   7.452   2.676
  377    H    LYS  46           H        LYS  46  22.675   9.801   0.099
  378    HA   LYS  46           HA       LYS  46  20.591  11.286  -1.172
  379   1HB   LYS  46          1HB       LYS  46  23.560  11.091  -1.663
  380   2HB   LYS  46          2HB       LYS  46  22.506  12.092  -2.648
  381   1HG   LYS  46          1HG       LYS  46  23.567  13.452  -0.981
  382   2HG   LYS  46          2HG       LYS  46  21.845  13.337  -0.623
  383   1HD   LYS  46          1HD       LYS  46  22.298  11.648   1.075
  384   2HD   LYS  46          2HD       LYS  46  24.020  11.709   0.693
  385   1HE   LYS  46          1HE       LYS  46  23.525  13.018   2.687
  386   2HE   LYS  46          2HE       LYS  46  24.091  14.054   1.378
  387   1HZ   LYS  46          1HZ       LYS  46  21.268  13.812   1.312
  388   2HZ   LYS  46          2HZ       LYS  46  21.771  14.337   2.838
  389   3HZ   LYS  46          3HZ       LYS  46  22.217  15.207   1.457
  390    H    GLY  47           H        GLY  47  20.753  11.469  -3.703
  391   1HA   GLY  47          1HA       GLY  47  21.369   9.099  -5.158
  392   2HA   GLY  47          2HA       GLY  47  20.460  10.476  -5.761
  393    H    ARG  48           H        ARG  48  18.741   9.518  -6.712
  394    HA   ARG  48           HA       ARG  48  16.618   8.597  -5.128
  395   1HB   ARG  48          1HB       ARG  48  17.075   8.257  -8.096
  396   2HB   ARG  48          2HB       ARG  48  15.551   7.958  -7.273
  397   1HG   ARG  48          1HG       ARG  48  15.500  10.317  -6.569
  398   2HG   ARG  48          2HG       ARG  48  16.978  10.595  -7.487
  399   1HD   ARG  48          1HD       ARG  48  14.358   9.637  -8.635
  400   2HD   ARG  48          2HD       ARG  48  14.960  11.290  -8.714
  401    HE   ARG  48           HE       ARG  48  16.422  10.659 -10.382
  402   1HH1  ARG  48          1HH1      ARG  48  14.886   7.832  -9.033
  403   2HH1  ARG  48          2HH1      ARG  48  15.512   6.761 -10.242
  404   1HH2  ARG  48          1HH2      ARG  48  17.240   9.255 -11.977
  405   2HH2  ARG  48          2HH2      ARG  48  16.852   7.567 -11.909
  406    HA   PRO  49           HA       PRO  49  17.855   4.377  -4.464
  407   1HB   PRO  49          1HB       PRO  49  15.532   3.485  -3.402
  408   2HB   PRO  49          2HB       PRO  49  16.650   4.523  -2.510
  409   1HG   PRO  49          1HG       PRO  49  14.147   5.261  -3.980
  410   2HG   PRO  49          2HG       PRO  49  14.705   5.797  -2.383
  411   1HD   PRO  49          1HD       PRO  49  14.992   7.309  -4.608
  412   2HD   PRO  49          2HD       PRO  49  16.160   7.345  -3.272
  413    H    PHE  50           H        PHE  50  17.711   2.459  -5.535
  414    HA   PHE  50           HA       PHE  50  15.447   1.552  -6.962
  415   1HB   PHE  50          1HB       PHE  50  16.169   3.448  -8.441
  416   2HB   PHE  50          2HB       PHE  50  17.682   2.591  -8.704
  417    HD1  PHE  50           HD1      PHE  50  14.154   1.383  -8.612
  418    HD2  PHE  50           HD2      PHE  50  17.710   1.882 -10.898
  419    HE1  PHE  50           HE1      PHE  50  13.127   0.144 -10.474
  420    HE2  PHE  50           HE2      PHE  50  16.689   0.644 -12.762
  421    HZ   PHE  50           HZ       PHE  50  14.395  -0.225 -12.552
  422    H    ARG  51           H        ARG  51  16.846   0.240  -5.187
  423    HA   ARG  51           HA       ARG  51  18.000  -1.926  -6.687
  424   1HB   ARG  51          1HB       ARG  51  19.975  -0.551  -6.335
  425   2HB   ARG  51          2HB       ARG  51  19.623  -0.462  -4.618
  426   1HG   ARG  51          1HG       ARG  51  20.065  -2.815  -4.377
  427   2HG   ARG  51          2HG       ARG  51  20.288  -2.967  -6.123
  428   1HD   ARG  51          1HD       ARG  51  21.922  -1.079  -4.481
  429   2HD   ARG  51          2HD       ARG  51  22.390  -2.767  -4.678
  430    HE   ARG  51           HE       ARG  51  21.924  -1.697  -7.210
  431   1HH1  ARG  51          1HH1      ARG  51  24.142  -1.270  -4.555
  432   2HH1  ARG  51          2HH1      ARG  51  25.452  -0.757  -5.564
  433   1HH2  ARG  51          1HH2      ARG  51  23.645  -1.026  -8.544
  434   2HH2  ARG  51          2HH2      ARG  51  25.171  -0.623  -7.832
  435    H    GLY  52           H        GLY  52  17.241  -0.604  -3.584
  436   1HA   GLY  52          1HA       GLY  52  16.611  -1.607  -1.576
  437   2HA   GLY  52          2HA       GLY  52  17.157  -3.140  -2.239
  438    H    MET  53           H        MET  53  14.684  -1.937  -0.851
  439    HA   MET  53           HA       MET  53  12.802  -3.747  -1.960
  440   1HB   MET  53          1HB       MET  53  12.983  -3.052   0.436
  441   2HB   MET  53          2HB       MET  53  12.323  -1.490  -0.018
  442   1HG   MET  53          1HG       MET  53  10.273  -2.582  -0.798
  443   2HG   MET  53          2HG       MET  53  10.929  -4.142  -0.305
  444   1HE   MET  53          1HE       MET  53   8.617  -4.244   0.613
  445   2HE   MET  53          2HE       MET  53   8.332  -3.975   2.333
  446   3HE   MET  53          3HE       MET  53   7.932  -2.715   1.165
  447    H    SER  54           H        SER  54  10.807  -3.263  -2.978
  448    HA   SER  54           HA       SER  54  10.268  -0.565  -3.841
  449   1HB   SER  54          1HB       SER  54  10.362  -1.076  -6.258
  450   2HB   SER  54          2HB       SER  54  11.946  -1.222  -5.496
  451    HG   SER  54           HG       SER  54  10.175  -3.346  -6.138
  452    H    GLU  55           H        GLU  55   8.755  -1.632  -6.186
  453    HA   GLU  55           HA       GLU  55   6.298  -2.065  -4.846
  454   1HB   GLU  55          1HB       GLU  55   6.918  -2.446  -7.772
  455   2HB   GLU  55          2HB       GLU  55   5.325  -2.231  -7.057
  456   1HG   GLU  55          1HG       GLU  55   7.544  -0.205  -7.061
  457   2HG   GLU  55          2HG       GLU  55   6.126  -0.186  -8.106
  458    H    GLU  56           H        GLU  56   8.686  -4.178  -6.224
  459    HA   GLU  56           HA       GLU  56   7.204  -6.474  -6.679
  460   1HB   GLU  56          1HB       GLU  56   9.329  -7.704  -6.306
  461   2HB   GLU  56          2HB       GLU  56   9.503  -6.320  -7.376
  462   1HG   GLU  56          1HG       GLU  56  10.428  -5.010  -5.536
  463   2HG   GLU  56          2HG       GLU  56  10.252  -6.396  -4.462
  464    H    GLU  57           H        GLU  57   8.828  -5.500  -3.648
  465    HA   GLU  57           HA       GLU  57   7.860  -7.775  -2.212
  466   1HB   GLU  57          1HB       GLU  57   9.938  -6.637  -1.574
  467   2HB   GLU  57          2HB       GLU  57   9.024  -5.188  -1.173
  468   1HG   GLU  57          1HG       GLU  57   9.444  -6.247   0.873
  469   2HG   GLU  57          2HG       GLU  57   7.757  -6.609   0.493
  470    H    VAL  58           H        VAL  58   7.040  -4.307  -2.105
  471    HA   VAL  58           HA       VAL  58   5.079  -4.389  -0.167
  472    HB   VAL  58           HB       VAL  58   5.029  -2.645  -2.634
  473   1HG1  VAL  58          1HG1      VAL  58   2.943  -2.715  -1.256
  474   2HG1  VAL  58          2HG1      VAL  58   3.887  -2.097   0.100
  475   3HG1  VAL  58          3HG1      VAL  58   3.699  -1.125  -1.359
  476   1HG2  VAL  58          1HG2      VAL  58   6.928  -2.784  -0.519
  477   2HG2  VAL  58          2HG2      VAL  58   6.859  -1.648  -1.868
  478   3HG2  VAL  58          3HG2      VAL  58   6.023  -1.278  -0.360
  479    H    PHE  59           H        PHE  59   4.737  -4.954  -3.648
  480    HA   PHE  59           HA       PHE  59   1.945  -5.277  -3.676
  481   1HB   PHE  59          1HB       PHE  59   3.192  -4.933  -5.734
  482   2HB   PHE  59          2HB       PHE  59   4.060  -6.445  -5.496
  483    HD1  PHE  59           HD1      PHE  59   0.438  -5.558  -5.287
  484    HD2  PHE  59           HD2      PHE  59   3.452  -7.929  -7.134
  485    HE1  PHE  59           HE1      PHE  59  -1.291  -6.753  -6.564
  486    HE2  PHE  59           HE2      PHE  59   1.727  -9.127  -8.415
  487    HZ   PHE  59           HZ       PHE  59  -0.647  -8.539  -8.131
  488    H    THR  60           H        THR  60   4.581  -7.498  -3.019
  489    HA   THR  60           HA       THR  60   2.994  -9.858  -3.037
  490    HB   THR  60           HB       THR  60   5.680  -9.373  -1.736
  491    HG1  THR  60           HG1      THR  60   5.191  -9.239  -4.213
  492   1HG2  THR  60          1HG2      THR  60   3.917 -11.640  -1.692
  493   2HG2  THR  60          2HG2      THR  60   5.395 -12.045  -2.567
  494   3HG2  THR  60          3HG2      THR  60   5.487 -11.434  -0.914
  495    H    GLU  61           H        GLU  61   4.343  -7.907  -0.376
  496    HA   GLU  61           HA       GLU  61   3.312  -9.397   1.731
  497   1HB   GLU  61          1HB       GLU  61   5.042  -7.560   1.844
  498   2HB   GLU  61          2HB       GLU  61   3.713  -6.412   1.764
  499   1HG   GLU  61          1HG       GLU  61   4.383  -6.703   4.047
  500   2HG   GLU  61          2HG       GLU  61   2.776  -7.389   3.818
  501    H    VAL  62           H        VAL  62   1.911  -6.606   0.032
  502    HA   VAL  62           HA       VAL  62  -0.434  -6.445   1.610
  503    HB   VAL  62           HB       VAL  62  -0.020  -5.597  -1.269
  504   1HG1  VAL  62          1HG1      VAL  62  -2.402  -5.792   0.162
  505   2HG1  VAL  62          2HG1      VAL  62  -1.964  -4.086   0.239
  506   3HG1  VAL  62          3HG1      VAL  62  -2.128  -4.885  -1.325
  507   1HG2  VAL  62          1HG2      VAL  62   1.408  -4.630   0.703
  508   2HG2  VAL  62          2HG2      VAL  62   0.727  -3.557  -0.520
  509   3HG2  VAL  62          3HG2      VAL  62  -0.063  -3.722   1.048
  510    H    ALA  63           H        ALA  63   0.336  -8.144  -1.411
  511    HA   ALA  63           HA       ALA  63  -2.222  -9.168  -1.956
  512   1HB   ALA  63          1HB       ALA  63  -0.531 -11.100  -2.910
  513   2HB   ALA  63          2HB       ALA  63  -0.993  -9.634  -3.775
  514   3HB   ALA  63          3HB       ALA  63   0.512  -9.681  -2.857
  515    H    ASN  64           H        ASN  64   0.457 -10.409  -0.030
  516    HA   ASN  64           HA       ASN  64  -0.597 -12.917   0.620
  517   1HB   ASN  64          1HB       ASN  64   1.337 -11.094   2.057
  518   2HB   ASN  64          2HB       ASN  64   0.919 -12.696   2.664
  519   2HD2  ASN  64          2HD2      ASN  64   3.284 -11.151   1.160
  520   1HD2  ASN  64          1HD2      ASN  64   3.870 -12.392   0.112
  521    H    LEU  65           H        LEU  65  -1.010  -9.751   2.101
  522    HA   LEU  65           HA       LEU  65  -2.485 -10.602   4.366
  523   1HB   LEU  65          1HB       LEU  65  -1.805  -8.080   3.019
  524   2HB   LEU  65          2HB       LEU  65  -3.317  -8.054   3.896
  525    HG   LEU  65           HG       LEU  65  -0.647  -8.781   5.092
  526   1HD1  LEU  65          1HD1      LEU  65  -1.551  -6.295   4.327
  527   2HD1  LEU  65          2HD1      LEU  65  -1.990  -6.381   6.033
  528   3HD1  LEU  65          3HD1      LEU  65  -0.313  -6.620   5.542
  529   1HD2  LEU  65          1HD2      LEU  65  -3.446  -8.699   6.114
  530   2HD2  LEU  65          2HD2      LEU  65  -2.148  -9.840   6.474
  531   3HD2  LEU  65          3HD2      LEU  65  -2.133  -8.229   7.194
  532    H    PHE  66           H        PHE  66  -3.572  -8.777   1.540
  533    HA   PHE  66           HA       PHE  66  -6.333  -9.321   1.996
  534   1HB   PHE  66          1HB       PHE  66  -4.932  -8.178  -0.425
  535   2HB   PHE  66          2HB       PHE  66  -6.664  -8.144  -0.149
  536    HD1  PHE  66           HD1      PHE  66  -5.073  -7.646   2.953
  537    HD2  PHE  66           HD2      PHE  66  -5.988  -5.666  -0.708
  538    HE1  PHE  66           HE1      PHE  66  -4.827  -5.469   4.070
  539    HE2  PHE  66           HE2      PHE  66  -5.750  -3.488   0.410
  540    HZ   PHE  66           HZ       PHE  66  -5.166  -3.387   2.799
  541    H    ARG  67           H        ARG  67  -4.983 -11.781   1.799
  542    HA   ARG  67           HA       ARG  67  -5.065 -12.940  -0.755
  543   1HB   ARG  67          1HB       ARG  67  -3.840 -13.961   1.085
  544   2HB   ARG  67          2HB       ARG  67  -5.337 -14.223   1.968
  545   1HG   ARG  67          1HG       ARG  67  -6.085 -15.811   0.314
  546   2HG   ARG  67          2HG       ARG  67  -4.663 -15.488  -0.680
  547   1HD   ARG  67          1HD       ARG  67  -4.447 -17.562   0.632
  548   2HD   ARG  67          2HD       ARG  67  -3.214 -16.371   1.043
  549    HE   ARG  67           HE       ARG  67  -5.387 -16.070   2.791
  550   1HH1  ARG  67          1HH1      ARG  67  -2.832 -18.329   2.071
  551   2HH1  ARG  67          2HH1      ARG  67  -2.742 -18.940   3.689
  552   1HH2  ARG  67          1HH2      ARG  67  -5.271 -16.866   4.924
  553   2HH2  ARG  67          2HH2      ARG  67  -4.128 -18.108   5.310
  554    H    GLY  68           H        GLY  68  -6.625 -13.946  -1.908
  555   1HA   GLY  68          1HA       GLY  68  -9.200 -14.574  -0.748
  556   2HA   GLY  68          2HA       GLY  68  -8.708 -14.844  -2.413
  557    H    GLN  69           H        GLN  69  -8.751 -11.853  -0.495
  558    HA   GLN  69           HA       GLN  69 -10.961 -10.809  -2.068
  559   1HB   GLN  69          1HB       GLN  69  -9.406  -9.693   0.273
  560   2HB   GLN  69          2HB       GLN  69 -10.702  -8.820  -0.536
  561   1HG   GLN  69          1HG       GLN  69 -12.325 -10.373   0.158
  562   2HG   GLN  69          2HG       GLN  69 -11.107 -11.556   0.626
  563   2HE2  GLN  69          2HE2      GLN  69  -9.746  -8.889   1.708
  564   1HE2  GLN  69          1HE2      GLN  69 -10.425  -8.784   3.292
  565    H    GLU  70           H        GLU  70  -9.044 -11.261  -3.799
  566    HA   GLU  70           HA       GLU  70  -7.113  -9.231  -4.144
  567   1HB   GLU  70          1HB       GLU  70  -8.304 -11.125  -6.166
  568   2HB   GLU  70          2HB       GLU  70  -6.862 -10.147  -6.417
  569   1HG   GLU  70          1HG       GLU  70  -5.704 -11.314  -4.672
  570   2HG   GLU  70          2HG       GLU  70  -7.164 -12.206  -4.256
  571    H    ASP  71           H        ASP  71 -10.291  -8.743  -4.148
  572    HA   ASP  71           HA       ASP  71 -10.849  -7.413  -6.560
  573   1HB   ASP  71          1HB       ASP  71 -11.977  -6.883  -3.817
  574   2HB   ASP  71          2HB       ASP  71 -12.676  -6.325  -5.331
  575    H    LEU  72           H        LEU  72  -9.710  -6.200  -3.445
  576    HA   LEU  72           HA       LEU  72  -9.379  -3.504  -4.326
  577   1HB   LEU  72          1HB       LEU  72  -8.187  -4.937  -1.946
  578   2HB   LEU  72          2HB       LEU  72  -8.227  -3.199  -2.179
  579    HG   LEU  72           HG       LEU  72 -10.787  -4.757  -2.109
  580   1HD1  LEU  72          1HD1      LEU  72  -9.081  -5.068  -0.072
  581   2HD1  LEU  72          2HD1      LEU  72  -9.826  -3.542   0.407
  582   3HD1  LEU  72          3HD1      LEU  72 -10.828  -4.969   0.142
  583   1HD2  LEU  72          1HD2      LEU  72  -9.984  -1.919  -1.473
  584   2HD2  LEU  72          2HD2      LEU  72 -10.997  -2.479  -2.804
  585   3HD2  LEU  72          3HD2      LEU  72 -11.585  -2.583  -1.145
  586    H    LEU  73           H        LEU  73  -7.353  -6.354  -4.123
  587    HA   LEU  73           HA       LEU  73  -4.830  -5.307  -4.379
  588   1HB   LEU  73          1HB       LEU  73  -6.138  -7.797  -4.536
  589   2HB   LEU  73          2HB       LEU  73  -5.157  -7.660  -5.962
  590    HG   LEU  73           HG       LEU  73  -3.769  -8.751  -4.432
  591   1HD1  LEU  73          1HD1      LEU  73  -2.941  -6.426  -5.418
  592   2HD1  LEU  73          2HD1      LEU  73  -2.838  -6.040  -3.699
  593   3HD1  LEU  73          3HD1      LEU  73  -1.942  -7.413  -4.351
  594   1HD2  LEU  73          1HD2      LEU  73  -5.436  -7.616  -2.536
  595   2HD2  LEU  73          2HD2      LEU  73  -4.075  -8.697  -2.236
  596   3HD2  LEU  73          3HD2      LEU  73  -3.843  -6.950  -2.176
  597    H    SER  74           H        SER  74  -7.280  -5.928  -6.832
  598    HA   SER  74           HA       SER  74  -5.775  -5.613  -9.141
  599   1HB   SER  74          1HB       SER  74  -8.114  -6.370  -9.135
  600   2HB   SER  74          2HB       SER  74  -8.638  -4.756  -8.655
  601    HG   SER  74           HG       SER  74  -8.261  -4.021 -10.626
  602    H    GLU  75           H        GLU  75  -7.338  -3.171  -7.115
  603    HA   GLU  75           HA       GLU  75  -6.725  -0.951  -8.761
  604   1HB   GLU  75          1HB       GLU  75  -7.221  -1.047  -5.779
  605   2HB   GLU  75          2HB       GLU  75  -7.268   0.398  -6.779
  606   1HG   GLU  75          1HG       GLU  75  -9.157  -0.524  -8.023
  607   2HG   GLU  75          2HG       GLU  75  -9.108  -1.973  -7.019
  608    H    PHE  76           H        PHE  76  -5.142  -2.362  -5.930
  609    HA   PHE  76           HA       PHE  76  -3.080  -0.516  -5.612
  610   1HB   PHE  76          1HB       PHE  76  -3.673  -2.305  -4.001
  611   2HB   PHE  76          2HB       PHE  76  -2.986  -3.495  -5.096
  612    HD1  PHE  76           HD1      PHE  76  -1.767  -0.165  -3.921
  613    HD2  PHE  76           HD2      PHE  76  -1.090  -4.360  -4.155
  614    HE1  PHE  76           HE1      PHE  76   0.429   0.133  -2.849
  615    HE2  PHE  76           HE2      PHE  76   1.107  -4.072  -3.086
  616    HZ   PHE  76           HZ       PHE  76   1.868  -1.822  -2.432
  617    H    GLY  77           H        GLY  77  -3.203  -3.449  -7.601
  618   1HA   GLY  77          1HA       GLY  77  -1.857  -4.216  -9.288
  619   2HA   GLY  77          2HA       GLY  77  -0.534  -3.390  -8.485
  620    H    GLN  78           H        GLN  78  -3.460  -1.987  -9.935
  621    HA   GLN  78           HA       GLN  78  -2.437  -1.247 -12.386
  622   1HB   GLN  78          1HB       GLN  78  -4.446   0.212 -10.668
  623   2HB   GLN  78          2HB       GLN  78  -4.130   0.589 -12.357
  624   1HG   GLN  78          1HG       GLN  78  -4.811  -1.696 -12.968
  625   2HG   GLN  78          2HG       GLN  78  -5.191  -2.012 -11.277
  626   2HE2  GLN  78          2HE2      GLN  78  -7.268  -1.918 -10.882
  627   1HE2  GLN  78          1HE2      GLN  78  -8.405  -0.853 -11.626
  628    H    PHE  79           H        PHE  79  -2.267   0.569  -9.334
  629    HA   PHE  79           HA       PHE  79  -0.997   2.840 -10.417
  630   1HB   PHE  79          1HB       PHE  79  -1.097   1.726  -7.615
  631   2HB   PHE  79          2HB       PHE  79  -0.267   3.228  -8.006
  632    HD1  PHE  79           HD1      PHE  79  -3.555   1.788  -9.061
  633    HD2  PHE  79           HD2      PHE  79  -1.471   5.011  -7.220
  634    HE1  PHE  79           HE1      PHE  79  -5.671   3.022  -8.834
  635    HE2  PHE  79           HE2      PHE  79  -3.585   6.249  -6.988
  636    HZ   PHE  79           HZ       PHE  79  -5.688   5.254  -7.795
  637    H    LEU  80           H        LEU  80   0.272  -0.148  -9.025
  638    HA   LEU  80           HA       LEU  80   2.990   0.611  -9.001
  639   1HB   LEU  80          1HB       LEU  80   1.924  -2.188  -9.339
  640   2HB   LEU  80          2HB       LEU  80   3.476  -1.715  -8.678
  641    HG   LEU  80           HG       LEU  80   0.777  -1.279  -7.403
  642   1HD1  LEU  80          1HD1      LEU  80   2.113  -3.573  -7.442
  643   2HD1  LEU  80          2HD1      LEU  80   2.966  -2.794  -6.108
  644   3HD1  LEU  80          3HD1      LEU  80   1.220  -3.023  -6.024
  645   1HD2  LEU  80          1HD2      LEU  80   3.525  -0.438  -6.497
  646   2HD2  LEU  80          2HD2      LEU  80   2.163   0.612  -6.890
  647   3HD2  LEU  80          3HD2      LEU  80   2.088  -0.437  -5.474
  648    HA   PRO  81           HA       PRO  81   3.815   0.508 -13.390
  649   1HB   PRO  81          1HB       PRO  81   6.530   0.569 -13.248
  650   2HB   PRO  81          2HB       PRO  81   5.521   1.996 -12.988
  651   1HG   PRO  81          1HG       PRO  81   6.788   0.181 -10.970
  652   2HG   PRO  81          2HG       PRO  81   6.704   1.953 -10.982
  653   1HD   PRO  81          1HD       PRO  81   5.045   0.451  -9.476
  654   2HD   PRO  81          2HD       PRO  81   4.525   1.981 -10.213
  655    H    GLU  82           H        GLU  82   3.722  -1.249 -14.635
  656    HA   GLU  82           HA       GLU  82   4.862  -3.756 -13.677
  657   1HB   GLU  82          1HB       GLU  82   2.506  -3.608 -14.544
  658   2HB   GLU  82          2HB       GLU  82   3.173  -3.284 -16.136
  659   1HG   GLU  82          1HG       GLU  82   2.559  -5.598 -15.973
  660   2HG   GLU  82          2HG       GLU  82   4.313  -5.461 -16.082
  661    H    ALA  83           H        ALA  83   6.817  -1.948 -14.368
  662    HA   ALA  83           HA       ALA  83   8.353  -3.420 -16.222
  663   1HB   ALA  83          1HB       ALA  83   8.267  -2.255 -18.170
  664   2HB   ALA  83          2HB       ALA  83   7.884  -0.730 -17.372
  665   3HB   ALA  83          3HB       ALA  83   6.625  -1.942 -17.607
  666    H    LYS  84           H        LYS  84  10.454  -3.056 -15.857
  667    HA   LYS  84           HA       LYS  84  11.220  -1.145 -13.868
  668   1HB   LYS  84          1HB       LYS  84  12.927  -2.957 -15.584
  669   2HB   LYS  84          2HB       LYS  84  13.482  -2.065 -14.176
  670   1HG   LYS  84          1HG       LYS  84  11.968  -3.347 -12.757
  671   2HG   LYS  84          2HG       LYS  84  11.394  -4.236 -14.170
  672   1HD   LYS  84          1HD       LYS  84  13.044  -5.546 -12.956
  673   2HD   LYS  84          2HD       LYS  84  13.666  -5.089 -14.543
  674   1HE   LYS  84          1HE       LYS  84  14.939  -3.268 -13.524
  675   2HE   LYS  84          2HE       LYS  84  14.305  -3.706 -11.938
  676   1HZ   LYS  84          1HZ       LYS  84  15.370  -6.025 -12.926
  677   2HZ   LYS  84          2HZ       LYS  84  16.484  -4.837 -13.387
  678   3HZ   LYS  84          3HZ       LYS  84  16.068  -5.021 -11.758
  679    H    ARG  85           H        ARG  85  13.870  -1.092 -15.713
  680    HA   ARG  85           HA       ARG  85  13.750   1.612 -16.352
  681   1HB   ARG  85          1HB       ARG  85  15.860   0.403 -16.178
  682   2HB   ARG  85          2HB       ARG  85  15.450  -0.564 -17.588
  683   1HG   ARG  85          1HG       ARG  85  15.462   1.482 -18.960
  684   2HG   ARG  85          2HG       ARG  85  15.960   2.403 -17.539
  685   1HD   ARG  85          1HD       ARG  85  17.987   1.030 -17.373
  686   2HD   ARG  85          2HD       ARG  85  17.488   0.131 -18.806
  687    HE   ARG  85           HE       ARG  85  17.557   2.858 -19.441
  688   1HH1  ARG  85          1HH1      ARG  85  19.732   0.259 -18.629
  689   2HH1  ARG  85          2HH1      ARG  85  21.063   0.927 -19.511
  690   1HH2  ARG  85          1HH2      ARG  85  19.302   3.743 -20.605
  691   2HH2  ARG  85          2HH2      ARG  85  20.818   2.906 -20.637
  692    H1   ASN   1           H1       ASN   1   3.466   7.769  -5.922
  693    H2   ASN   1           H2       ASN   1   4.246   6.358  -6.431
  694    H3   ASN   1           H3       ASN   1   3.621   7.437  -7.574
  695    HA   ASN   1           HA       ASN   1   1.391   6.963  -6.930
  696   1HB   ASN   1          1HB       ASN   1   3.024   4.435  -7.261
  697   2HB   ASN   1          2HB       ASN   1   1.303   4.598  -7.603
  698   2HD2  ASN   1          2HD2      ASN   1   4.239   4.471  -8.987
  699   1HD2  ASN   1          1HD2      ASN   1   3.930   5.351 -10.442
  700    H    ILE   2           H        ILE   2   3.697   5.061  -5.029
  701    HA   ILE   2           HA       ILE   2   1.782   4.005  -3.229
  702    HB   ILE   2           HB       ILE   2   4.766   4.336  -2.911
  703   1HG1  ILE   2          1HG1      ILE   2   4.129   2.886  -4.775
  704   2HG1  ILE   2          2HG1      ILE   2   4.834   1.939  -3.472
  705   1HG2  ILE   2          1HG2      ILE   2   2.716   3.411  -1.053
  706   2HG2  ILE   2          2HG2      ILE   2   4.019   2.247  -1.300
  707   3HG2  ILE   2          3HG2      ILE   2   4.388   3.883  -0.754
  708   1HD1  ILE   2          1HD1      ILE   2   2.323   1.630  -2.774
  709   2HD1  ILE   2          2HD1      ILE   2   2.038   2.008  -4.474
  710   3HD1  ILE   2          3HD1      ILE   2   3.052   0.632  -4.033
  711    H    GLN   3           H        GLN   3   3.764   6.913  -3.198
  712    HA   GLN   3           HA       GLN   3   3.530   7.685  -0.558
  713   1HB   GLN   3          1HB       GLN   3   4.925   8.847  -2.224
  714   2HB   GLN   3          2HB       GLN   3   3.477   9.470  -3.000
  715   1HG   GLN   3          1HG       GLN   3   4.035  10.045  -0.119
  716   2HG   GLN   3          2HG       GLN   3   4.804  10.985  -1.392
  717   2HE2  GLN   3          2HE2      GLN   3   2.074  10.263  -2.845
  718   1HE2  GLN   3          1HE2      GLN   3   1.051  11.549  -2.313
  719    H    MET   4           H        MET   4   1.197   7.953  -3.169
  720    HA   MET   4           HA       MET   4  -0.630   9.651  -1.856
  721   1HB   MET   4          1HB       MET   4  -1.084   7.613  -4.038
  722   2HB   MET   4          2HB       MET   4  -2.268   8.809  -3.527
  723   1HG   MET   4          1HG       MET   4  -0.738  10.600  -4.174
  724   2HG   MET   4          2HG       MET   4   0.442   9.400  -4.696
  725   1HE   MET   4          1HE       MET   4   0.043  11.467  -6.316
  726   2HE   MET   4          2HE       MET   4   0.246  10.422  -7.722
  727   3HE   MET   4          3HE       MET   4  -1.159  11.482  -7.606
  728    H    LEU   5           H        LEU   5  -0.509   6.093  -2.106
  729    HA   LEU   5           HA       LEU   5  -2.848   5.692  -0.536
  730   1HB   LEU   5          1HB       LEU   5  -0.575   3.794  -1.142
  731   2HB   LEU   5          2HB       LEU   5  -2.104   3.337  -0.416
  732    HG   LEU   5           HG       LEU   5  -1.703   4.411  -3.210
  733   1HD1  LEU   5          1HD1      LEU   5  -1.594   1.790  -2.116
  734   2HD1  LEU   5          2HD1      LEU   5  -3.036   1.920  -3.125
  735   3HD1  LEU   5          3HD1      LEU   5  -1.449   2.294  -3.800
  736   1HD2  LEU   5          1HD2      LEU   5  -3.799   5.223  -2.221
  737   2HD2  LEU   5          2HD2      LEU   5  -4.086   4.068  -3.522
  738   3HD2  LEU   5          3HD2      LEU   5  -4.253   3.561  -1.841
  739    H    LEU   6           H        LEU   6   0.611   5.556   0.189
  740    HA   LEU   6           HA       LEU   6   0.473   4.768   2.857
  741   1HB   LEU   6          1HB       LEU   6   2.546   4.842   1.565
  742   2HB   LEU   6          2HB       LEU   6   2.452   6.587   1.480
  743    HG   LEU   6           HG       LEU   6   2.704   6.661   3.969
  744   1HD1  LEU   6          1HD1      LEU   6   2.548   3.777   3.602
  745   2HD1  LEU   6          2HD1      LEU   6   3.946   4.284   4.551
  746   3HD1  LEU   6          3HD1      LEU   6   2.320   4.750   5.057
  747   1HD2  LEU   6          1HD2      LEU   6   4.830   5.470   2.211
  748   2HD2  LEU   6          2HD2      LEU   6   4.633   7.147   2.733
  749   3HD2  LEU   6          3HD2      LEU   6   5.141   5.917   3.891
  750    H    GLU   7           H        GLU   7   0.392   7.988   1.402
  751    HA   GLU   7           HA       GLU   7   0.192   9.394   3.876
  752   1HB   GLU   7          1HB       GLU   7   1.092  10.428   1.829
  753   2HB   GLU   7          2HB       GLU   7  -0.485  10.288   1.065
  754   1HG   GLU   7          1HG       GLU   7  -0.108  12.547   1.839
  755   2HG   GLU   7          2HG       GLU   7  -1.430  11.801   2.735
  756    H    ALA   8           H        ALA   8  -2.106   8.220   1.485
  757    HA   ALA   8           HA       ALA   8  -4.431   9.483   2.355
  758   1HB   ALA   8          1HB       ALA   8  -3.950   6.840   1.012
  759   2HB   ALA   8          2HB       ALA   8  -4.545   8.344   0.309
  760   3HB   ALA   8          3HB       ALA   8  -5.575   7.410   1.395
  761    H    ALA   9           H        ALA   9  -2.927   6.480   3.465
  762    HA   ALA   9           HA       ALA   9  -4.920   5.552   5.157
  763   1HB   ALA   9          1HB       ALA   9  -1.924   5.336   5.384
  764   2HB   ALA   9          2HB       ALA   9  -3.039   4.172   4.668
  765   3HB   ALA   9          3HB       ALA   9  -3.054   4.451   6.409
  766    H    ASP  10           H        ASP  10  -2.330   7.881   5.801
  767    HA   ASP  10           HA       ASP  10  -2.869   8.239   8.545
  768   1HB   ASP  10          1HB       ASP  10  -0.764   8.965   7.512
  769   2HB   ASP  10          2HB       ASP  10  -1.634  10.166   6.562
  770    H    TYR  11           H        TYR  11  -4.123   9.774   5.641
  771    HA   TYR  11           HA       TYR  11  -5.495  11.914   6.779
  772   1HB   TYR  11          1HB       TYR  11  -5.216  11.731   4.383
  773   2HB   TYR  11          2HB       TYR  11  -6.164  10.249   4.347
  774    HD1  TYR  11           HD1      TYR  11  -6.618  13.721   5.681
  775    HD2  TYR  11           HD2      TYR  11  -8.263  10.486   3.461
  776    HE1  TYR  11           HE1      TYR  11  -8.660  15.033   5.293
  777    HE2  TYR  11           HE2      TYR  11 -10.303  11.792   3.058
  778    HH   TYR  11           HH       TYR  11 -10.550  15.163   4.001
  779    H    LEU  12           H        LEU  12  -6.782   8.692   5.935
  780    HA   LEU  12           HA       LEU  12  -9.314   9.113   7.100
  781   1HB   LEU  12          1HB       LEU  12  -7.826   6.548   6.526
  782   2HB   LEU  12          2HB       LEU  12  -9.509   6.623   7.008
  783    HG   LEU  12           HG       LEU  12  -8.378   7.828   4.477
  784   1HD1  LEU  12          1HD1      LEU  12  -9.666   5.209   5.096
  785   2HD1  LEU  12          2HD1      LEU  12  -9.952   5.967   3.529
  786   3HD1  LEU  12          3HD1      LEU  12  -8.306   5.571   4.032
  787   1HD2  LEU  12          1HD2      LEU  12 -10.896   8.152   5.873
  788   2HD2  LEU  12          2HD2      LEU  12 -10.252   9.032   4.487
  789   3HD2  LEU  12          3HD2      LEU  12 -11.124   7.518   4.242
  790    H    GLU  13           H        GLU  13  -6.425   7.431   8.291
  791    HA   GLU  13           HA       GLU  13  -5.769   6.760  10.357
  792   1HB   GLU  13          1HB       GLU  13  -5.679   9.205  10.643
  793   2HB   GLU  13          2HB       GLU  13  -7.343   9.194  11.210
  794   1HG   GLU  13          1HG       GLU  13  -5.797   9.351  13.068
  795   2HG   GLU  13          2HG       GLU  13  -6.690   7.832  13.125

  No H/Q in entry =         795
  Start of MODEL   17
    1    H1   GLU   1           H1       GLU   1  -7.883  19.063 -11.255
    2    H2   GLU   1           H2       GLU   1  -9.487  19.381 -11.688
    3    H3   GLU   1           H3       GLU   1  -8.229  19.831 -12.724
    4    HA   GLU   1           HA       GLU   1  -7.679  21.656 -11.556
    5   1HB   GLU   1          1HB       GLU   1 -10.114  21.700 -12.219
    6   2HB   GLU   1          2HB       GLU   1 -10.508  21.251 -10.565
    7   1HG   GLU   1          1HG       GLU   1 -10.783  23.613 -10.825
    8   2HG   GLU   1          2HG       GLU   1  -9.401  23.309  -9.776
    9    H    SER   2           H        SER   2  -9.715  21.795  -8.955
   10    HA   SER   2           HA       SER   2  -7.655  21.758  -7.053
   11   1HB   SER   2          1HB       SER   2  -9.465  21.876  -5.375
   12   2HB   SER   2          2HB       SER   2  -9.736  23.004  -6.703
   13    HG   SER   2           HG       SER   2 -11.071  20.610  -6.093
   14    H    ASP   3           H        ASP   3  -6.770  20.199  -5.859
   15    HA   ASP   3           HA       ASP   3  -6.263  18.157  -5.007
   16   1HB   ASP   3          1HB       ASP   3  -8.472  18.377  -3.916
   17   2HB   ASP   3          2HB       ASP   3  -9.226  17.618  -5.312
   18    H    SER   4           H        SER   4  -5.115  16.742  -6.136
   19    HA   SER   4           HA       SER   4  -5.629  16.081  -8.814
   20   1HB   SER   4          1HB       SER   4  -3.879  14.427  -7.081
   21   2HB   SER   4          2HB       SER   4  -3.642  14.935  -8.737
   22    HG   SER   4           HG       SER   4  -2.324  16.272  -7.712
   23    H    VAL   5           H        VAL   5  -6.405  14.271  -9.750
   24    HA   VAL   5           HA       VAL   5  -8.429  12.824  -8.477
   25    HB   VAL   5           HB       VAL   5  -6.855  12.080 -10.949
   26   1HG1  VAL   5          1HG1      VAL   5  -8.142  10.220  -9.762
   27   2HG1  VAL   5          2HG1      VAL   5  -9.601  11.092 -10.235
   28   3HG1  VAL   5          3HG1      VAL   5  -8.499  10.486 -11.470
   29   1HG2  VAL   5          1HG2      VAL   5  -8.371  14.270 -10.667
   30   2HG2  VAL   5          2HG2      VAL   5  -8.249  13.373 -12.181
   31   3HG2  VAL   5          3HG2      VAL   5  -9.622  13.107 -11.107
   32    H    GLU   6           H        GLU   6  -5.054  12.050  -9.109
   33    HA   GLU   6           HA       GLU   6  -5.025   9.393  -8.263
   34   1HB   GLU   6          1HB       GLU   6  -2.808  11.430  -8.017
   35   2HB   GLU   6          2HB       GLU   6  -2.619   9.683  -7.974
   36   1HG   GLU   6          1HG       GLU   6  -3.402   9.528 -10.272
   37   2HG   GLU   6          2HG       GLU   6  -3.620  11.277 -10.320
   38    H    PHE   7           H        PHE   7  -4.681  12.382  -6.405
   39    HA   PHE   7           HA       PHE   7  -3.888  11.263  -3.967
   40   1HB   PHE   7          1HB       PHE   7  -3.802  13.667  -4.364
   41   2HB   PHE   7          2HB       PHE   7  -5.557  13.737  -4.482
   42    HD1  PHE   7           HD1      PHE   7  -3.375  12.000  -2.009
   43    HD2  PHE   7           HD2      PHE   7  -6.269  15.038  -2.718
   44    HE1  PHE   7           HE1      PHE   7  -3.521  12.422   0.408
   45    HE2  PHE   7           HE2      PHE   7  -6.420  15.463  -0.301
   46    HZ   PHE   7           HZ       PHE   7  -5.044  14.155   1.266
   47    H    ASN   8           H        ASN   8  -7.196  12.207  -4.963
   48    HA   ASN   8           HA       ASN   8  -8.452  11.004  -2.740
   49   1HB   ASN   8          1HB       ASN   8  -9.819  12.560  -3.739
   50   2HB   ASN   8          2HB       ASN   8  -9.294  12.137  -5.364
   51   2HD2  ASN   8          2HD2      ASN   8 -10.641  11.071  -6.551
   52   1HD2  ASN   8          1HD2      ASN   8 -11.975  10.140  -5.994
   53    H    ASN   9           H        ASN   9  -7.430   9.936  -5.857
   54    HA   ASN   9           HA       ASN   9  -8.819   7.551  -6.188
   55   1HB   ASN   9          1HB       ASN   9  -7.275   8.692  -7.828
   56   2HB   ASN   9          2HB       ASN   9  -5.925   8.054  -6.914
   57   2HD2  ASN   9          2HD2      ASN   9  -7.114   7.683  -9.657
   58   1HD2  ASN   9          1HD2      ASN   9  -7.102   5.979  -9.854
   59    H    ALA  10           H        ALA  10  -5.882   8.293  -4.392
   60    HA   ALA  10           HA       ALA  10  -5.358   5.611  -3.568
   61   1HB   ALA  10          1HB       ALA  10  -4.014   7.137  -1.769
   62   2HB   ALA  10          2HB       ALA  10  -3.407   6.713  -3.370
   63   3HB   ALA  10          3HB       ALA  10  -4.195   8.271  -3.109
   64    H    ILE  11           H        ILE  11  -6.804   8.455  -2.009
   65    HA   ILE  11           HA       ILE  11  -7.208   7.470   0.540
   66    HB   ILE  11           HB       ILE  11  -9.158   9.223  -0.957
   67   1HG1  ILE  11          1HG1      ILE  11  -6.839  10.090  -1.078
   68   2HG1  ILE  11          2HG1      ILE  11  -7.898  11.130  -0.140
   69   1HG2  ILE  11          1HG2      ILE  11  -8.952   8.279   1.783
   70   2HG2  ILE  11          2HG2      ILE  11  -9.043  10.038   1.667
   71   3HG2  ILE  11          3HG2      ILE  11 -10.305   9.041   0.943
   72   1HD1  ILE  11          1HD1      ILE  11  -6.273   9.086   1.279
   73   2HD1  ILE  11          2HD1      ILE  11  -5.488  10.550   0.686
   74   3HD1  ILE  11          3HD1      ILE  11  -6.830  10.669   1.825
   75    H    SER  12           H        SER  12  -9.314   7.156  -2.293
   76    HA   SER  12           HA       SER  12 -11.459   5.878  -1.072
   77   1HB   SER  12          1HB       SER  12 -12.047   5.069  -3.320
   78   2HB   SER  12          2HB       SER  12 -11.552   6.760  -3.363
   79    HG   SER  12           HG       SER  12  -9.420   5.153  -3.696
   80    H    TYR  13           H        TYR  13  -8.411   4.554  -2.273
   81    HA   TYR  13           HA       TYR  13  -9.159   1.833  -2.105
   82   1HB   TYR  13          1HB       TYR  13  -7.164   2.745  -3.342
   83   2HB   TYR  13          2HB       TYR  13  -6.374   2.965  -1.787
   84    HD1  TYR  13           HD1      TYR  13  -8.488   0.122  -2.937
   85    HD2  TYR  13           HD2      TYR  13  -4.596   1.448  -1.841
   86    HE1  TYR  13           HE1      TYR  13  -7.681  -2.197  -3.023
   87    HE2  TYR  13           HE2      TYR  13  -3.779  -0.871  -1.926
   88    HH   TYR  13           HH       TYR  13  -5.282  -3.298  -3.428
   89    H    VAL  14           H        VAL  14  -7.282   3.886   0.112
   90    HA   VAL  14           HA       VAL  14  -6.947   2.006   2.155
   91    HB   VAL  14           HB       VAL  14  -7.212   4.996   2.484
   92   1HG1  VAL  14          1HG1      VAL  14  -6.973   3.012   4.411
   93   2HG1  VAL  14          2HG1      VAL  14  -5.335   3.638   4.217
   94   3HG1  VAL  14          3HG1      VAL  14  -6.656   4.734   4.624
   95   1HG2  VAL  14          1HG2      VAL  14  -4.908   3.268   1.641
   96   2HG2  VAL  14          2HG2      VAL  14  -5.532   4.732   0.881
   97   3HG2  VAL  14          3HG2      VAL  14  -4.653   4.837   2.407
   98    H    ASN  15           H        ASN  15  -9.512   4.401   1.662
   99    HA   ASN  15           HA       ASN  15 -10.918   4.029   4.041
  100   1HB   ASN  15          1HB       ASN  15 -11.302   5.828   2.354
  101   2HB   ASN  15          2HB       ASN  15 -12.115   4.660   1.349
  102   2HD2  ASN  15          2HD2      ASN  15 -12.770   7.118   3.155
  103   1HD2  ASN  15          1HD2      ASN  15 -14.261   6.627   3.856
  104    H    LYS  16           H        LYS  16 -11.690   2.698   0.856
  105    HA   LYS  16           HA       LYS  16 -13.736   0.992   1.617
  106   1HB   LYS  16          1HB       LYS  16 -13.136   1.526  -0.732
  107   2HB   LYS  16          2HB       LYS  16 -11.713   0.503  -0.584
  108   1HG   LYS  16          1HG       LYS  16 -13.159  -1.435  -0.188
  109   2HG   LYS  16          2HG       LYS  16 -14.577  -0.402  -0.376
  110   1HD   LYS  16          1HD       LYS  16 -13.877   0.129  -2.666
  111   2HD   LYS  16          2HD       LYS  16 -12.470  -0.920  -2.475
  112   1HE   LYS  16          1HE       LYS  16 -13.949  -2.836  -2.122
  113   2HE   LYS  16          2HE       LYS  16 -15.354  -1.788  -2.311
  114   1HZ   LYS  16          1HZ       LYS  16 -14.311  -1.241  -4.575
  115   2HZ   LYS  16          2HZ       LYS  16 -13.408  -2.652  -4.350
  116   3HZ   LYS  16          3HZ       LYS  16 -15.097  -2.727  -4.394
  117    H    ILE  17           H        ILE  17 -10.250   0.434   1.659
  118    HA   ILE  17           HA       ILE  17 -10.321  -2.316   2.267
  119    HB   ILE  17           HB       ILE  17  -8.253  -0.198   2.855
  120   1HG1  ILE  17          1HG1      ILE  17  -8.283  -2.483   0.872
  121   2HG1  ILE  17          2HG1      ILE  17  -8.686  -0.815   0.482
  122   1HG2  ILE  17          1HG2      ILE  17  -8.066  -1.965   4.533
  123   2HG2  ILE  17          2HG2      ILE  17  -7.996  -3.177   3.254
  124   3HG2  ILE  17          3HG2      ILE  17  -6.700  -1.992   3.418
  125   1HD1  ILE  17          1HD1      ILE  17  -6.417  -0.137   1.101
  126   2HD1  ILE  17          2HD1      ILE  17  -6.022  -1.819   1.455
  127   3HD1  ILE  17          3HD1      ILE  17  -6.426  -1.336  -0.192
  128    H    LYS  18           H        LYS  18 -10.379   0.573   4.283
  129    HA   LYS  18           HA       LYS  18 -10.193  -0.688   6.799
  130   1HB   LYS  18          1HB       LYS  18  -9.850   1.711   6.501
  131   2HB   LYS  18          2HB       LYS  18 -11.516   1.910   5.992
  132   1HG   LYS  18          1HG       LYS  18 -12.252   1.168   8.232
  133   2HG   LYS  18          2HG       LYS  18 -10.561   1.105   8.731
  134   1HD   LYS  18          1HD       LYS  18 -11.939   3.575   7.678
  135   2HD   LYS  18          2HD       LYS  18 -11.727   3.205   9.389
  136   1HE   LYS  18          1HE       LYS  18  -9.496   3.529   7.387
  137   2HE   LYS  18          2HE       LYS  18 -10.019   4.761   8.534
  138   1HZ   LYS  18          1HZ       LYS  18  -9.530   3.037  10.303
  139   2HZ   LYS  18          2HZ       LYS  18  -8.712   2.170   9.103
  140   3HZ   LYS  18          3HZ       LYS  18  -8.192   3.723   9.527
  141    H    THR  19           H        THR  19 -13.013   0.647   5.131
  142    HA   THR  19           HA       THR  19 -14.970  -0.302   6.874
  143    HB   THR  19           HB       THR  19 -15.363   1.423   5.120
  144    HG1  THR  19           HG1      THR  19 -17.176   0.439   6.052
  145   1HG2  THR  19          1HG2      THR  19 -14.619  -0.774   3.388
  146   2HG2  THR  19          2HG2      THR  19 -16.175  -0.078   2.932
  147   3HG2  THR  19          3HG2      THR  19 -14.745   0.950   3.032
  148    H    ARG  20           H        ARG  20 -13.338  -1.895   4.231
  149    HA   ARG  20           HA       ARG  20 -15.129  -4.042   3.899
  150   1HB   ARG  20          1HB       ARG  20 -13.492  -3.600   2.202
  151   2HB   ARG  20          2HB       ARG  20 -12.171  -3.798   3.350
  152   1HG   ARG  20          1HG       ARG  20 -12.432  -5.723   1.841
  153   2HG   ARG  20          2HG       ARG  20 -12.627  -6.155   3.540
  154   1HD   ARG  20          1HD       ARG  20 -15.069  -6.042   3.259
  155   2HD   ARG  20          2HD       ARG  20 -14.842  -5.690   1.546
  156    HE   ARG  20           HE       ARG  20 -14.601  -7.926   1.215
  157   1HH1  ARG  20          1HH1      ARG  20 -13.726  -7.227   4.518
  158   2HH1  ARG  20          2HH1      ARG  20 -13.406  -8.880   4.917
  159   1HH2  ARG  20          1HH2      ARG  20 -14.183 -10.105   1.738
  160   2HH2  ARG  20          2HH2      ARG  20 -13.664 -10.515   3.339
  161    H    PHE  21           H        PHE  21 -12.019  -3.950   5.630
  162    HA   PHE  21           HA       PHE  21 -12.720  -6.418   6.998
  163   1HB   PHE  21          1HB       PHE  21 -10.166  -4.808   7.065
  164   2HB   PHE  21          2HB       PHE  21 -10.404  -6.381   7.810
  165    HD1  PHE  21           HD1      PHE  21 -10.287  -4.612   4.562
  166    HD2  PHE  21           HD2      PHE  21 -10.155  -8.358   6.575
  167    HE1  PHE  21           HE1      PHE  21  -9.556  -5.703   2.480
  168    HE2  PHE  21           HE2      PHE  21  -9.412  -9.454   4.507
  169    HZ   PHE  21           HZ       PHE  21  -9.117  -8.127   2.450
  170    H    LEU  22           H        LEU  22 -14.314  -4.224   7.801
  171    HA   LEU  22           HA       LEU  22 -13.429  -2.838  10.042
  172   1HB   LEU  22          1HB       LEU  22 -16.160  -3.856   9.300
  173   2HB   LEU  22          2HB       LEU  22 -15.883  -2.903  10.743
  174    HG   LEU  22           HG       LEU  22 -15.320  -1.989   7.922
  175   1HD1  LEU  22          1HD1      LEU  22 -17.693  -1.854   9.648
  176   2HD1  LEU  22          2HD1      LEU  22 -17.224  -0.332   8.888
  177   3HD1  LEU  22          3HD1      LEU  22 -17.555  -1.751   7.892
  178   1HD2  LEU  22          1HD2      LEU  22 -13.991  -1.106  10.027
  179   2HD2  LEU  22          2HD2      LEU  22 -14.538  -0.013   8.756
  180   3HD2  LEU  22          3HD2      LEU  22 -15.458  -0.154  10.253
  181    H    ASP  23           H        ASP  23 -14.572  -6.136   9.738
  182    HA   ASP  23           HA       ASP  23 -14.734  -6.627  12.550
  183   1HB   ASP  23          1HB       ASP  23 -16.065  -7.902  10.919
  184   2HB   ASP  23          2HB       ASP  23 -14.587  -8.587  10.256
  185    H    HIS  24           H        HIS  24 -12.331  -7.192  10.022
  186    HA   HIS  24           HA       HIS  24 -10.461  -8.230  12.016
  187   1HB   HIS  24          1HB       HIS  24 -10.477  -8.376   9.002
  188   2HB   HIS  24          2HB       HIS  24  -9.182  -8.976  10.015
  189    HD1  HIS  24           HD1      HIS  24 -10.212 -10.764  11.962
  190    HD2  HIS  24           HD2      HIS  24 -12.197 -10.334   8.338
  191    HE1  HIS  24           HE1      HIS  24 -11.621 -12.834  11.719
  192    HE2  HIS  24           HE2      HIS  24 -12.738 -12.596   9.473
  193    HA   PRO  25           HA       PRO  25  -9.073  -3.809  11.340
  194   1HB   PRO  25          1HB       PRO  25  -7.926  -3.666  13.818
  195   2HB   PRO  25          2HB       PRO  25  -9.586  -3.191  13.466
  196   1HG   PRO  25          1HG       PRO  25  -8.555  -5.763  14.605
  197   2HG   PRO  25          2HG       PRO  25  -9.970  -4.810  15.095
  198   1HD   PRO  25          1HD       PRO  25 -10.252  -6.997  13.589
  199   2HD   PRO  25          2HD       PRO  25 -11.247  -5.557  13.296
  200    H    GLU  26           H        GLU  26  -7.414  -6.601  12.728
  201    HA   GLU  26           HA       GLU  26  -4.787  -5.790  12.604
  202   1HB   GLU  26          1HB       GLU  26  -4.206  -8.176  12.361
  203   2HB   GLU  26          2HB       GLU  26  -5.432  -7.906  13.593
  204   1HG   GLU  26          1HG       GLU  26  -7.166  -8.606  12.022
  205   2HG   GLU  26          2HG       GLU  26  -5.936  -8.878  10.788
  206    H    ILE  27           H        ILE  27  -6.885  -6.758   9.982
  207    HA   ILE  27           HA       ILE  27  -4.927  -7.198   7.999
  208    HB   ILE  27           HB       ILE  27  -7.662  -6.056   7.465
  209   1HG1  ILE  27          1HG1      ILE  27  -7.750  -7.980   9.093
  210   2HG1  ILE  27          2HG1      ILE  27  -8.627  -8.232   7.594
  211   1HG2  ILE  27          1HG2      ILE  27  -5.565  -7.403   5.895
  212   2HG2  ILE  27          2HG2      ILE  27  -7.221  -7.914   5.563
  213   3HG2  ILE  27          3HG2      ILE  27  -6.773  -6.215   5.402
  214   1HD1  ILE  27          1HD1      ILE  27  -5.835  -9.229   7.835
  215   2HD1  ILE  27          2HD1      ILE  27  -7.159 -10.113   8.597
  216   3HD1  ILE  27          3HD1      ILE  27  -7.174  -9.834   6.854
  217    H    TYR  28           H        TYR  28  -6.805  -4.323   8.878
  218    HA   TYR  28           HA       TYR  28  -5.888  -2.572   6.928
  219   1HB   TYR  28          1HB       TYR  28  -7.774  -2.123   8.449
  220   2HB   TYR  28          2HB       TYR  28  -6.638  -1.925   9.773
  221    HD1  TYR  28           HD1      TYR  28  -7.111  -0.613   6.314
  222    HD2  TYR  28           HD2      TYR  28  -6.180   0.253  10.368
  223    HE1  TYR  28           HE1      TYR  28  -6.923   1.776   5.752
  224    HE2  TYR  28           HE2      TYR  28  -5.998   2.644   9.825
  225    HH   TYR  28           HH       TYR  28  -7.165   3.994   7.048
  226    H    ARG  29           H        ARG  29  -4.628  -3.107  10.205
  227    HA   ARG  29           HA       ARG  29  -2.545  -1.271  10.147
  228   1HB   ARG  29          1HB       ARG  29  -2.937  -3.866  11.614
  229   2HB   ARG  29          2HB       ARG  29  -1.506  -2.880  11.854
  230   1HG   ARG  29          1HG       ARG  29  -3.241  -2.521  13.554
  231   2HG   ARG  29          2HG       ARG  29  -2.834  -1.050  12.675
  232   1HD   ARG  29          1HD       ARG  29  -4.837  -1.388  11.271
  233   2HD   ARG  29          2HD       ARG  29  -5.241  -2.815  12.224
  234    HE   ARG  29           HE       ARG  29  -6.184  -1.412  13.742
  235   1HH1  ARG  29          1HH1      ARG  29  -3.730   0.371  12.017
  236   2HH1  ARG  29          2HH1      ARG  29  -4.036   1.852  12.862
  237   1HH2  ARG  29          1HH2      ARG  29  -6.592   0.540  14.849
  238   2HH2  ARG  29          2HH2      ARG  29  -5.658   1.947  14.468
  239    H    SER  30           H        SER  30  -2.405  -4.763   9.440
  240    HA   SER  30           HA       SER  30   0.270  -4.977   8.807
  241   1HB   SER  30          1HB       SER  30  -2.055  -6.443   7.542
  242   2HB   SER  30          2HB       SER  30  -0.367  -6.941   7.436
  243    HG   SER  30           HG       SER  30  -1.869  -7.820   9.188
  244    H    PHE  31           H        PHE  31  -2.397  -4.297   6.541
  245    HA   PHE  31           HA       PHE  31  -0.965  -4.068   4.195
  246   1HB   PHE  31          1HB       PHE  31  -3.366  -4.021   4.173
  247   2HB   PHE  31          2HB       PHE  31  -3.402  -2.559   5.152
  248    HD1  PHE  31           HD1      PHE  31  -1.894  -3.701   1.928
  249    HD2  PHE  31           HD2      PHE  31  -3.922  -0.628   4.066
  250    HE1  PHE  31           HE1      PHE  31  -1.969  -2.334  -0.117
  251    HE2  PHE  31           HE2      PHE  31  -4.003   0.743   2.023
  252    HZ   PHE  31           HZ       PHE  31  -3.026  -0.109  -0.071
  253    H    LEU  32           H        LEU  32  -1.694  -1.515   6.555
  254    HA   LEU  32           HA       LEU  32  -0.379   0.567   5.216
  255   1HB   LEU  32          1HB       LEU  32  -0.813   0.239   8.181
  256   2HB   LEU  32          2HB       LEU  32  -0.428   1.739   7.362
  257    HG   LEU  32           HG       LEU  32  -2.961   0.133   7.022
  258   1HD1  LEU  32          1HD1      LEU  32  -2.338   1.713   9.112
  259   2HD1  LEU  32          2HD1      LEU  32  -3.023   2.903   8.004
  260   3HD1  LEU  32          3HD1      LEU  32  -3.973   1.498   8.486
  261   1HD2  LEU  32          1HD2      LEU  32  -2.159   1.314   4.972
  262   2HD2  LEU  32          2HD2      LEU  32  -3.726   1.861   5.570
  263   3HD2  LEU  32          3HD2      LEU  32  -2.281   2.827   5.868
  264    H    GLU  33           H        GLU  33   0.775  -1.732   7.649
  265    HA   GLU  33           HA       GLU  33   3.325  -0.611   8.035
  266   1HB   GLU  33          1HB       GLU  33   2.489  -3.516   8.221
  267   2HB   GLU  33          2HB       GLU  33   3.971  -2.837   8.879
  268   1HG   GLU  33          1HG       GLU  33   1.189  -2.055   9.718
  269   2HG   GLU  33          2HG       GLU  33   2.231  -3.188  10.577
  270    H    ILE  34           H        ILE  34   2.045  -2.773   5.586
  271    HA   ILE  34           HA       ILE  34   4.466  -3.618   4.440
  272    HB   ILE  34           HB       ILE  34   1.778  -3.202   3.148
  273   1HG1  ILE  34          1HG1      ILE  34   3.102  -5.697   4.230
  274   2HG1  ILE  34          2HG1      ILE  34   1.845  -4.786   5.059
  275   1HG2  ILE  34          1HG2      ILE  34   4.361  -4.092   2.081
  276   2HG2  ILE  34          2HG2      ILE  34   3.007  -5.162   1.720
  277   3HG2  ILE  34          3HG2      ILE  34   2.941  -3.465   1.244
  278   1HD1  ILE  34          1HD1      ILE  34   0.310  -5.257   3.227
  279   2HD1  ILE  34          2HD1      ILE  34   1.572  -6.189   2.423
  280   3HD1  ILE  34          3HD1      ILE  34   0.927  -6.731   3.973
  281    H    LEU  35           H        LEU  35   2.218  -1.108   3.289
  282    HA   LEU  35           HA       LEU  35   3.912   0.002   1.355
  283   1HB   LEU  35          1HB       LEU  35   1.693   1.263   2.970
  284   2HB   LEU  35          2HB       LEU  35   2.473   2.042   1.606
  285    HG   LEU  35           HG       LEU  35   0.994  -0.580   1.401
  286   1HD1  LEU  35          1HD1      LEU  35  -0.103   1.940   1.870
  287   2HD1  LEU  35          2HD1      LEU  35  -0.275   1.676   0.135
  288   3HD1  LEU  35          3HD1      LEU  35  -0.940   0.506   1.274
  289   1HD2  LEU  35          1HD2      LEU  35   2.828   0.318  -0.299
  290   2HD2  LEU  35          2HD2      LEU  35   1.361  -0.492  -0.850
  291   3HD2  LEU  35          3HD2      LEU  35   1.459   1.269  -0.878
  292    H    HIS  36           H        HIS  36   3.524   0.621   4.775
  293    HA   HIS  36           HA       HIS  36   5.110   2.923   4.980
  294   1HB   HIS  36          1HB       HIS  36   3.775   1.093   6.760
  295   2HB   HIS  36          2HB       HIS  36   5.368   1.472   7.393
  296    HD1  HIS  36           HD1      HIS  36   5.760   4.336   7.043
  297    HD2  HIS  36           HD2      HIS  36   1.992   2.781   7.831
  298    HE1  HIS  36           HE1      HIS  36   4.428   6.252   7.980
  299    HE2  HIS  36           HE2      HIS  36   2.175   5.265   8.530
  300    H    THR  37           H        THR  37   5.923  -0.515   5.264
  301    HA   THR  37           HA       THR  37   8.580  -0.270   6.069
  302    HB   THR  37           HB       THR  37   7.333  -2.377   4.290
  303    HG1  THR  37           HG1      THR  37   6.488  -3.010   6.114
  304   1HG2  THR  37          1HG2      THR  37  10.057  -1.955   4.860
  305   2HG2  THR  37          2HG2      THR  37   9.545  -3.311   5.864
  306   3HG2  THR  37          3HG2      THR  37   9.319  -3.373   4.115
  307    H    TYR  38           H        TYR  38   7.142  -0.280   2.849
  308    HA   TYR  38           HA       TYR  38   9.545  -0.178   1.379
  309   1HB   TYR  38          1HB       TYR  38   7.509  -0.807   0.292
  310   2HB   TYR  38          2HB       TYR  38   6.735   0.708   0.731
  311    HD1  TYR  38           HD1      TYR  38   9.827  -0.406  -1.053
  312    HD2  TYR  38           HD2      TYR  38   6.512   2.255  -0.937
  313    HE1  TYR  38           HE1      TYR  38  10.582   0.605  -3.162
  314    HE2  TYR  38           HE2      TYR  38   7.253   3.277  -3.048
  315    HH   TYR  38           HH       TYR  38   8.750   2.366  -5.113
  316    H    GLN  39           H        GLN  39   7.222   2.398   2.135
  317    HA   GLN  39           HA       GLN  39   8.593   4.513   1.032
  318   1HB   GLN  39          1HB       GLN  39   6.341   4.787   1.465
  319   2HB   GLN  39          2HB       GLN  39   6.499   4.237   3.132
  320   1HG   GLN  39          1HG       GLN  39   6.164   6.544   3.165
  321   2HG   GLN  39          2HG       GLN  39   7.838   6.226   3.579
  322   2HE2  GLN  39          2HE2      GLN  39   5.814   8.095   1.749
  323   1HE2  GLN  39          1HE2      GLN  39   6.948   8.685   0.590
  324    H    LYS  40           H        LYS  40   8.574   3.443   4.445
  325    HA   LYS  40           HA       LYS  40  10.117   5.463   5.516
  326   1HB   LYS  40          1HB       LYS  40  10.010   2.545   6.278
  327   2HB   LYS  40          2HB       LYS  40  10.831   3.770   7.236
  328   1HG   LYS  40          1HG       LYS  40   8.697   4.973   7.481
  329   2HG   LYS  40          2HG       LYS  40   7.893   3.685   6.585
  330   1HD   LYS  40          1HD       LYS  40   9.421   3.270   9.152
  331   2HD   LYS  40          2HD       LYS  40   7.676   3.509   9.066
  332   1HE   LYS  40          1HE       LYS  40   8.080   1.165   9.219
  333   2HE   LYS  40          2HE       LYS  40   7.558   1.508   7.572
  334   1HZ   LYS  40          1HZ       LYS  40  10.418   1.591   7.966
  335   2HZ   LYS  40          2HZ       LYS  40   9.728   0.067   8.218
  336   3HZ   LYS  40          3HZ       LYS  40   9.515   0.859   6.738
  337    H    GLU  41           H        GLU  41  11.280   2.383   4.152
  338    HA   GLU  41           HA       GLU  41  14.025   3.008   4.507
  339   1HB   GLU  41          1HB       GLU  41  12.678   1.030   2.662
  340   2HB   GLU  41          2HB       GLU  41  14.414   1.117   2.927
  341   1HG   GLU  41          1HG       GLU  41  14.057   0.636   5.307
  342   2HG   GLU  41          2HG       GLU  41  12.326   0.503   5.006
  343    H    GLN  42           H        GLN  42  11.739   3.477   1.886
  344    HA   GLN  42           HA       GLN  42  13.512   4.202  -0.149
  345   1HB   GLN  42          1HB       GLN  42  11.133   3.734  -0.531
  346   2HB   GLN  42          2HB       GLN  42  10.698   5.189   0.353
  347   1HG   GLN  42          1HG       GLN  42  11.880   6.533  -1.342
  348   2HG   GLN  42          2HG       GLN  42  12.210   5.056  -2.245
  349   2HE2  GLN  42          2HE2      GLN  42   9.261   4.699  -0.795
  350   1HE2  GLN  42          1HE2      GLN  42   8.247   5.213  -2.093
  351    H    LEU  43           H        LEU  43  12.027   6.112   2.418
  352    HA   LEU  43           HA       LEU  43  12.700   8.664   1.603
  353   1HB   LEU  43          1HB       LEU  43  12.565   7.528   4.386
  354   2HB   LEU  43          2HB       LEU  43  12.682   9.240   4.033
  355    HG   LEU  43           HG       LEU  43  10.415   7.459   3.144
  356   1HD1  LEU  43          1HD1      LEU  43  10.642   7.865   5.638
  357   2HD1  LEU  43          2HD1      LEU  43  10.328   9.565   5.285
  358   3HD1  LEU  43          3HD1      LEU  43   9.116   8.344   4.896
  359   1HD2  LEU  43          1HD2      LEU  43  11.261  10.064   2.334
  360   2HD2  LEU  43          2HD2      LEU  43   9.870   9.127   1.786
  361   3HD2  LEU  43          3HD2      LEU  43   9.720  10.192   3.185
  362    H    HIS  44           H        HIS  44  14.672   6.292   3.324
  363    HA   HIS  44           HA       HIS  44  17.083   7.461   2.390
  364   1HB   HIS  44          1HB       HIS  44  18.015   7.995   4.660
  365   2HB   HIS  44          2HB       HIS  44  16.766   9.099   4.093
  366    HD1  HIS  44           HD1      HIS  44  17.045   6.050   6.357
  367    HD2  HIS  44           HD2      HIS  44  14.775   9.483   5.843
  368    HE1  HIS  44           HE1      HIS  44  15.468   6.108   8.318
  369    HE2  HIS  44           HE2      HIS  44  14.032   8.143   7.929
  370    H    THR  45           H        THR  45  18.726   6.021   2.443
  371    HA   THR  45           HA       THR  45  18.115   3.339   3.240
  372    HB   THR  45           HB       THR  45  20.416   2.825   2.426
  373    HG1  THR  45           HG1      THR  45  21.649   4.462   1.559
  374   1HG2  THR  45          1HG2      THR  45  18.213   3.937   0.869
  375   2HG2  THR  45          2HG2      THR  45  19.768   4.047   0.043
  376   3HG2  THR  45          3HG2      THR  45  19.170   2.481   0.592
  377    H    LYS  46           H        LYS  46  17.928   4.498   5.575
  378    HA   LYS  46           HA       LYS  46  20.447   3.835   6.945
  379   1HB   LYS  46          1HB       LYS  46  18.507   6.030   7.680
  380   2HB   LYS  46          2HB       LYS  46  19.933   5.583   8.603
  381   1HG   LYS  46          1HG       LYS  46  19.938   6.666   5.795
  382   2HG   LYS  46          2HG       LYS  46  20.291   7.591   7.255
  383   1HD   LYS  46          1HD       LYS  46  22.192   6.087   7.715
  384   2HD   LYS  46          2HD       LYS  46  21.855   5.231   6.208
  385   1HE   LYS  46          1HE       LYS  46  22.587   8.145   6.470
  386   2HE   LYS  46          2HE       LYS  46  23.656   6.856   5.921
  387   1HZ   LYS  46          1HZ       LYS  46  21.566   6.571   4.270
  388   2HZ   LYS  46          2HZ       LYS  46  21.560   8.247   4.497
  389   3HZ   LYS  46          3HZ       LYS  46  22.946   7.478   3.905
  390    H    GLY  47           H        GLY  47  20.219   2.163   8.275
  391   1HA   GLY  47          1HA       GLY  47  17.574   1.240   9.015
  392   2HA   GLY  47          2HA       GLY  47  18.548   1.817  10.358
  393    H    ARG  48           H        ARG  48  17.492  -0.877   9.632
  394    HA   ARG  48           HA       ARG  48  19.940  -2.337  10.174
  395   1HB   ARG  48          1HB       ARG  48  17.082  -3.309  10.043
  396   2HB   ARG  48          2HB       ARG  48  18.458  -4.228  10.631
  397   1HG   ARG  48          1HG       ARG  48  18.761  -2.599  12.439
  398   2HG   ARG  48          2HG       ARG  48  17.345  -1.721  11.859
  399   1HD   ARG  48          1HD       ARG  48  15.983  -3.749  12.219
  400   2HD   ARG  48          2HD       ARG  48  17.404  -4.558  12.878
  401    HE   ARG  48           HE       ARG  48  16.951  -3.536  14.854
  402   1HH1  ARG  48          1HH1      ARG  48  15.604  -1.580  12.300
  403   2HH1  ARG  48          2HH1      ARG  48  14.929  -0.408  13.382
  404   1HH2  ARG  48          1HH2      ARG  48  16.064  -1.997  16.281
  405   2HH2  ARG  48          2HH2      ARG  48  15.190  -0.645  15.642
  406    HA   PRO  49           HA       PRO  49  20.780  -3.859   6.122
  407   1HB   PRO  49          1HB       PRO  49  21.270  -6.529   6.784
  408   2HB   PRO  49          2HB       PRO  49  22.462  -5.227   6.800
  409   1HG   PRO  49          1HG       PRO  49  20.895  -6.393   9.057
  410   2HG   PRO  49          2HG       PRO  49  22.573  -5.824   9.030
  411   1HD   PRO  49          1HD       PRO  49  20.637  -4.358  10.143
  412   2HD   PRO  49          2HD       PRO  49  21.949  -3.592   9.220
  413    H    PHE  50           H        PHE  50  19.699  -4.829   4.450
  414    HA   PHE  50           HA       PHE  50  17.652  -6.809   4.944
  415   1HB   PHE  50          1HB       PHE  50  16.546  -4.592   5.391
  416   2HB   PHE  50          2HB       PHE  50  16.850  -4.167   3.710
  417    HD1  PHE  50           HD1      PHE  50  15.727  -7.407   5.157
  418    HD2  PHE  50           HD2      PHE  50  14.749  -4.040   2.745
  419    HE1  PHE  50           HE1      PHE  50  13.612  -8.485   4.515
  420    HE2  PHE  50           HE2      PHE  50  12.631  -5.112   2.102
  421    HZ   PHE  50           HZ       PHE  50  12.061  -7.338   2.986
  422    H    ARG  51           H        ARG  51  17.092  -7.963   3.118
  423    HA   ARG  51           HA       ARG  51  18.954  -7.866   0.976
  424   1HB   ARG  51          1HB       ARG  51  16.722  -9.626   1.718
  425   2HB   ARG  51          2HB       ARG  51  17.418  -9.761   0.125
  426   1HG   ARG  51          1HG       ARG  51  18.471 -11.360   1.482
  427   2HG   ARG  51          2HG       ARG  51  19.633 -10.054   1.253
  428   1HD   ARG  51          1HD       ARG  51  19.849 -10.372   3.504
  429   2HD   ARG  51          2HD       ARG  51  18.554  -9.177   3.493
  430    HE   ARG  51           HE       ARG  51  18.380 -11.911   4.340
  431   1HH1  ARG  51          1HH1      ARG  51  16.563  -9.171   3.173
  432   2HH1  ARG  51          2HH1      ARG  51  15.045  -9.783   3.736
  433   1HH2  ARG  51          1HH2      ARG  51  16.389 -12.709   5.085
  434   2HH2  ARG  51          2HH2      ARG  51  14.947 -11.787   4.825
  435    H    GLY  52           H        GLY  52  17.801  -5.510   0.799
  436   1HA   GLY  52          1HA       GLY  52  16.681  -5.537  -1.835
  437   2HA   GLY  52          2HA       GLY  52  16.968  -4.118  -0.840
  438    H    MET  53           H        MET  53  15.043  -3.193  -1.484
  439    HA   MET  53           HA       MET  53  12.535  -4.510  -0.883
  440   1HB   MET  53          1HB       MET  53  13.249  -3.643   1.285
  441   2HB   MET  53          2HB       MET  53  13.437  -2.039   0.593
  442   1HG   MET  53          1HG       MET  53  11.385  -2.023   1.740
  443   2HG   MET  53          2HG       MET  53  10.997  -2.113   0.023
  444   1HE   MET  53          1HE       MET  53   8.943  -2.334   1.623
  445   2HE   MET  53          2HE       MET  53   8.165  -3.609   0.684
  446   3HE   MET  53          3HE       MET  53   8.439  -3.828   2.412
  447    H    SER  54           H        SER  54  10.919  -3.759  -2.158
  448    HA   SER  54           HA       SER  54  10.839  -1.105  -3.182
  449   1HB   SER  54          1HB       SER  54  11.151  -1.663  -5.575
  450   2HB   SER  54          2HB       SER  54  12.617  -1.936  -4.634
  451    HG   SER  54           HG       SER  54  12.413  -3.756  -5.793
  452    H    GLU  55           H        GLU  55   9.487  -1.977  -5.675
  453    HA   GLU  55           HA       GLU  55   6.856  -2.179  -4.642
  454   1HB   GLU  55          1HB       GLU  55   7.857  -2.556  -7.469
  455   2HB   GLU  55          2HB       GLU  55   6.175  -2.343  -7.005
  456   1HG   GLU  55          1HG       GLU  55   6.703  -0.119  -6.132
  457   2HG   GLU  55          2HG       GLU  55   8.382  -0.334  -6.621
  458    H    GLU  56           H        GLU  56   9.131  -4.523  -5.917
  459    HA   GLU  56           HA       GLU  56   7.418  -6.647  -6.437
  460   1HB   GLU  56          1HB       GLU  56   9.386  -8.101  -6.065
  461   2HB   GLU  56          2HB       GLU  56   9.743  -6.722  -7.093
  462   1HG   GLU  56          1HG       GLU  56  10.775  -5.576  -5.198
  463   2HG   GLU  56          2HG       GLU  56  10.413  -6.960  -4.167
  464    H    GLU  57           H        GLU  57   9.014  -5.774  -3.380
  465    HA   GLU  57           HA       GLU  57   7.987  -7.970  -1.913
  466   1HB   GLU  57          1HB       GLU  57   9.958  -6.689  -1.194
  467   2HB   GLU  57          2HB       GLU  57   8.940  -5.283  -0.911
  468   1HG   GLU  57          1HG       GLU  57   9.253  -6.210   1.203
  469   2HG   GLU  57          2HG       GLU  57   7.641  -6.755   0.717
  470    H    VAL  58           H        VAL  58   7.033  -4.538  -1.977
  471    HA   VAL  58           HA       VAL  58   4.904  -4.656  -0.222
  472    HB   VAL  58           HB       VAL  58   4.994  -2.952  -2.712
  473   1HG1  VAL  58          1HG1      VAL  58   2.836  -3.014  -1.505
  474   2HG1  VAL  58          2HG1      VAL  58   3.664  -2.455  -0.052
  475   3HG1  VAL  58          3HG1      VAL  58   3.595  -1.422  -1.480
  476   1HG2  VAL  58          1HG2      VAL  58   7.064  -2.909  -1.235
  477   2HG2  VAL  58          2HG2      VAL  58   6.273  -1.362  -1.541
  478   3HG2  VAL  58          3HG2      VAL  58   6.035  -2.184   0.000
  479    H    PHE  59           H        PHE  59   4.908  -5.261  -3.714
  480    HA   PHE  59           HA       PHE  59   2.152  -5.645  -4.027
  481   1HB   PHE  59          1HB       PHE  59   3.675  -5.373  -5.933
  482   2HB   PHE  59          2HB       PHE  59   4.431  -6.919  -5.560
  483    HD1  PHE  59           HD1      PHE  59   0.862  -5.851  -5.780
  484    HD2  PHE  59           HD2      PHE  59   3.933  -8.421  -7.221
  485    HE1  PHE  59           HE1      PHE  59  -0.775  -6.994  -7.218
  486    HE2  PHE  59           HE2      PHE  59   2.302  -9.567  -8.662
  487    HZ   PHE  59           HZ       PHE  59  -0.056  -8.855  -8.662
  488    H    THR  60           H        THR  60   4.730  -7.826  -3.053
  489    HA   THR  60           HA       THR  60   3.145 -10.191  -3.086
  490    HB   THR  60           HB       THR  60   5.745  -9.617  -1.653
  491    HG1  THR  60           HG1      THR  60   6.506  -9.771  -3.614
  492   1HG2  THR  60          1HG2      THR  60   4.164 -12.137  -2.045
  493   2HG2  THR  60          2HG2      THR  60   5.919 -12.185  -1.869
  494   3HG2  THR  60          3HG2      THR  60   4.922 -11.516  -0.579
  495    H    GLU  61           H        GLU  61   4.312  -8.119  -0.432
  496    HA   GLU  61           HA       GLU  61   3.128  -9.492   1.676
  497   1HB   GLU  61          1HB       GLU  61   3.733  -6.547   1.425
  498   2HB   GLU  61          2HB       GLU  61   3.346  -7.365   2.931
  499   1HG   GLU  61          1HG       GLU  61   5.711  -7.999   1.180
  500   2HG   GLU  61          2HG       GLU  61   5.755  -6.987   2.623
  501    H    VAL  62           H        VAL  62   1.866  -6.734  -0.189
  502    HA   VAL  62           HA       VAL  62  -0.574  -6.525   1.217
  503    HB   VAL  62           HB       VAL  62   0.041  -5.727  -1.637
  504   1HG1  VAL  62          1HG1      VAL  62  -2.402  -5.644  -0.086
  505   2HG1  VAL  62          2HG1      VAL  62  -1.905  -4.037  -0.615
  506   3HG1  VAL  62          3HG1      VAL  62  -2.143  -5.321  -1.800
  507   1HG2  VAL  62          1HG2      VAL  62   0.754  -4.591   0.941
  508   2HG2  VAL  62          2HG2      VAL  62   1.363  -4.212  -0.670
  509   3HG2  VAL  62          3HG2      VAL  62  -0.115  -3.450  -0.085
  510    H    ALA  63           H        ALA  63   0.375  -8.304  -1.693
  511    HA   ALA  63           HA       ALA  63  -2.163  -9.295  -2.388
  512   1HB   ALA  63          1HB       ALA  63  -0.740 -11.190  -3.433
  513   2HB   ALA  63          2HB       ALA  63   0.637 -10.210  -2.931
  514   3HB   ALA  63          3HB       ALA  63  -0.556  -9.546  -4.047
  515    H    ASN  64           H        ASN  64   0.344 -10.478  -0.216
  516    HA   ASN  64           HA       ASN  64  -0.735 -12.980   0.401
  517   1HB   ASN  64          1HB       ASN  64   1.065 -11.094   1.909
  518   2HB   ASN  64          2HB       ASN  64   0.551 -12.628   2.610
  519   2HD2  ASN  64          2HD2      ASN  64   3.074 -11.250   1.161
  520   1HD2  ASN  64          1HD2      ASN  64   3.722 -12.602   0.305
  521    H    LEU  65           H        LEU  65  -1.327  -9.789   1.777
  522    HA   LEU  65           HA       LEU  65  -3.013 -10.623   3.897
  523   1HB   LEU  65          1HB       LEU  65  -2.238  -8.113   2.574
  524   2HB   LEU  65          2HB       LEU  65  -3.820  -8.094   3.316
  525    HG   LEU  65           HG       LEU  65  -1.305  -8.848   4.790
  526   1HD1  LEU  65          1HD1      LEU  65  -2.056  -6.334   3.819
  527   2HD1  LEU  65          2HD1      LEU  65  -2.453  -6.329   5.539
  528   3HD1  LEU  65          3HD1      LEU  65  -0.809  -6.696   5.014
  529   1HD2  LEU  65          1HD2      LEU  65  -4.176  -8.587   5.473
  530   2HD2  LEU  65          2HD2      LEU  65  -2.949  -9.673   6.130
  531   3HD2  LEU  65          3HD2      LEU  65  -3.009  -7.990   6.654
  532    H    PHE  66           H        PHE  66  -3.811  -8.898   0.915
  533    HA   PHE  66           HA       PHE  66  -6.604  -9.466   1.103
  534   1HB   PHE  66          1HB       PHE  66  -4.926  -8.309  -1.128
  535   2HB   PHE  66          2HB       PHE  66  -6.680  -8.401  -1.161
  536    HD1  PHE  66           HD1      PHE  66  -5.546  -7.744   2.142
  537    HD2  PHE  66           HD2      PHE  66  -6.254  -5.897  -1.635
  538    HE1  PHE  66           HE1      PHE  66  -5.672  -5.548   3.241
  539    HE2  PHE  66           HE2      PHE  66  -6.387  -3.700  -0.532
  540    HZ   PHE  66           HZ       PHE  66  -6.095  -3.525   1.906
  541    H    ARG  67           H        ARG  67  -5.199 -11.909   1.121
  542    HA   ARG  67           HA       ARG  67  -5.041 -13.127  -1.414
  543   1HB   ARG  67          1HB       ARG  67  -3.978 -14.026   0.646
  544   2HB   ARG  67          2HB       ARG  67  -5.573 -14.452   1.252
  545   1HG   ARG  67          1HG       ARG  67  -5.886 -15.974  -0.632
  546   2HG   ARG  67          2HG       ARG  67  -4.287 -15.545  -1.243
  547   1HD   ARG  67          1HD       ARG  67  -4.196 -17.647  -0.033
  548   2HD   ARG  67          2HD       ARG  67  -3.282 -16.406   0.821
  549    HE   ARG  67           HE       ARG  67  -5.878 -16.444   1.852
  550   1HH1  ARG  67          1HH1      ARG  67  -3.052 -18.477   1.727
  551   2HH1  ARG  67          2HH1      ARG  67  -3.398 -19.271   3.225
  552   1HH2  ARG  67          1HH2      ARG  67  -6.342 -17.486   3.827
  553   2HH2  ARG  67          2HH2      ARG  67  -5.271 -18.712   4.417
  554    H    GLY  68           H        GLY  68  -6.531 -14.062  -2.696
  555   1HA   GLY  68          1HA       GLY  68  -9.121 -14.849  -1.690
  556   2HA   GLY  68          2HA       GLY  68  -8.561 -14.977  -3.352
  557    H    GLN  69           H        GLN  69  -8.721 -12.109  -1.276
  558    HA   GLN  69           HA       GLN  69 -11.017 -11.054  -2.667
  559   1HB   GLN  69          1HB       GLN  69  -9.199  -9.809  -0.595
  560   2HB   GLN  69          2HB       GLN  69 -10.689  -9.089  -1.195
  561   1HG   GLN  69          1HG       GLN  69 -11.971 -10.942  -0.298
  562   2HG   GLN  69          2HG       GLN  69 -10.489 -11.717   0.258
  563   2HE2  GLN  69          2HE2      GLN  69 -10.230 -11.529   2.348
  564   1HE2  GLN  69          1HE2      GLN  69 -10.649 -10.162   3.315
  565    H    GLU  70           H        GLU  70  -9.393 -11.481  -4.637
  566    HA   GLU  70           HA       GLU  70  -7.412  -9.615  -5.251
  567   1HB   GLU  70          1HB       GLU  70  -9.225 -11.131  -7.136
  568   2HB   GLU  70          2HB       GLU  70  -7.725 -10.331  -7.587
  569   1HG   GLU  70          1HG       GLU  70  -6.476 -11.833  -6.127
  570   2HG   GLU  70          2HG       GLU  70  -7.979 -12.629  -5.659
  571    H    ASP  71           H        ASP  71 -10.647  -8.964  -4.803
  572    HA   ASP  71           HA       ASP  71 -11.247  -7.201  -6.904
  573   1HB   ASP  71          1HB       ASP  71 -12.964  -8.012  -5.388
  574   2HB   ASP  71          2HB       ASP  71 -12.202  -7.168  -4.048
  575    H    LEU  72           H        LEU  72 -10.011  -6.522  -3.644
  576    HA   LEU  72           HA       LEU  72  -9.493  -3.766  -4.186
  577   1HB   LEU  72          1HB       LEU  72  -8.360  -5.529  -2.008
  578   2HB   LEU  72          2HB       LEU  72  -8.354  -3.776  -2.028
  579    HG   LEU  72           HG       LEU  72 -10.860  -5.456  -1.947
  580   1HD1  LEU  72          1HD1      LEU  72  -9.325  -4.104   0.265
  581   2HD1  LEU  72          2HD1      LEU  72 -10.982  -4.689   0.422
  582   3HD1  LEU  72          3HD1      LEU  72  -9.673  -5.825   0.095
  583   1HD2  LEU  72          1HD2      LEU  72 -11.056  -3.180  -2.930
  584   2HD2  LEU  72          2HD2      LEU  72 -11.987  -3.395  -1.447
  585   3HD2  LEU  72          3HD2      LEU  72 -10.458  -2.514  -1.408
  586    H    LEU  73           H        LEU  73  -7.716  -6.755  -4.362
  587    HA   LEU  73           HA       LEU  73  -5.098  -5.907  -4.545
  588   1HB   LEU  73          1HB       LEU  73  -6.487  -8.257  -4.813
  589   2HB   LEU  73          2HB       LEU  73  -5.898  -7.997  -6.429
  590    HG   LEU  73           HG       LEU  73  -4.214  -9.294  -5.542
  591   1HD1  LEU  73          1HD1      LEU  73  -3.422  -6.459  -4.922
  592   2HD1  LEU  73          2HD1      LEU  73  -2.303  -7.822  -4.918
  593   3HD1  LEU  73          3HD1      LEU  73  -3.123  -7.360  -6.412
  594   1HD2  LEU  73          1HD2      LEU  73  -5.323  -9.108  -3.236
  595   2HD2  LEU  73          2HD2      LEU  73  -3.591  -9.438  -3.314
  596   3HD2  LEU  73          3HD2      LEU  73  -4.162  -7.810  -2.947
  597    H    SER  74           H        SER  74  -7.653  -6.032  -6.939
  598    HA   SER  74           HA       SER  74  -6.205  -5.490  -9.251
  599   1HB   SER  74          1HB       SER  74  -8.564  -6.209  -9.217
  600   2HB   SER  74          2HB       SER  74  -9.025  -4.637  -8.561
  601    HG   SER  74           HG       SER  74  -9.055  -5.118 -11.005
  602    H    GLU  75           H        GLU  75  -7.642  -3.288  -6.877
  603    HA   GLU  75           HA       GLU  75  -7.107  -0.894  -8.244
  604   1HB   GLU  75          1HB       GLU  75  -7.424  -1.464  -5.307
  605   2HB   GLU  75          2HB       GLU  75  -7.299   0.156  -5.982
  606   1HG   GLU  75          1HG       GLU  75  -9.422  -1.857  -6.682
  607   2HG   GLU  75          2HG       GLU  75  -9.606  -0.516  -5.563
  608    H    PHE  76           H        PHE  76  -5.310  -2.475  -5.608
  609    HA   PHE  76           HA       PHE  76  -3.144  -0.702  -5.543
  610   1HB   PHE  76          1HB       PHE  76  -3.601  -2.378  -3.799
  611   2HB   PHE  76          2HB       PHE  76  -3.170  -3.663  -4.918
  612    HD1  PHE  76           HD1      PHE  76  -1.522  -0.401  -4.157
  613    HD2  PHE  76           HD2      PHE  76  -1.243  -4.649  -4.148
  614    HE1  PHE  76           HE1      PHE  76   0.821  -0.242  -3.430
  615    HE2  PHE  76           HE2      PHE  76   1.103  -4.497  -3.419
  616    HZ   PHE  76           HZ       PHE  76   2.136  -2.288  -3.059
  617    H    GLY  77           H        GLY  77  -3.734  -3.571  -7.468
  618   1HA   GLY  77          1HA       GLY  77  -2.736  -4.414  -9.343
  619   2HA   GLY  77          2HA       GLY  77  -1.223  -3.970  -8.578
  620    H    GLN  78           H        GLN  78  -3.877  -1.997  -9.960
  621    HA   GLN  78           HA       GLN  78  -2.546  -1.290 -12.295
  622   1HB   GLN  78          1HB       GLN  78  -4.105   0.533 -12.529
  623   2HB   GLN  78          2HB       GLN  78  -4.945  -0.887 -11.920
  624   1HG   GLN  78          1HG       GLN  78  -5.052   0.009  -9.734
  625   2HG   GLN  78          2HG       GLN  78  -3.946   1.314 -10.159
  626   2HE2  GLN  78          2HE2      GLN  78  -7.069   0.624  -9.573
  627   1HE2  GLN  78          1HE2      GLN  78  -7.832   1.881 -10.478
  628    H    PHE  79           H        PHE  79  -2.359   0.162  -9.092
  629    HA   PHE  79           HA       PHE  79  -0.979   2.498  -9.769
  630   1HB   PHE  79          1HB       PHE  79  -0.973   0.812  -7.269
  631   2HB   PHE  79          2HB       PHE  79  -0.022   2.286  -7.395
  632    HD1  PHE  79           HD1      PHE  79  -3.477   1.500  -8.566
  633    HD2  PHE  79           HD2      PHE  79  -1.003   3.843  -6.018
  634    HE1  PHE  79           HE1      PHE  79  -5.438   2.821  -7.883
  635    HE2  PHE  79           HE2      PHE  79  -2.959   5.166  -5.329
  636    HZ   PHE  79           HZ       PHE  79  -5.179   4.657  -6.262
  637    H    LEU  80           H        LEU  80   0.255  -0.705  -8.880
  638    HA   LEU  80           HA       LEU  80   2.994   0.026  -9.295
  639   1HB   LEU  80          1HB       LEU  80   1.815  -2.747  -9.142
  640   2HB   LEU  80          2HB       LEU  80   3.487  -2.295  -8.875
  641    HG   LEU  80           HG       LEU  80   1.145  -1.585  -7.107
  642   1HD1  LEU  80          1HD1      LEU  80   3.451  -3.490  -6.768
  643   2HD1  LEU  80          2HD1      LEU  80   2.365  -3.001  -5.467
  644   3HD1  LEU  80          3HD1      LEU  80   1.734  -3.886  -6.856
  645   1HD2  LEU  80          1HD2      LEU  80   3.396  -0.077  -7.434
  646   2HD2  LEU  80          2HD2      LEU  80   2.418  -0.138  -5.966
  647   3HD2  LEU  80          3HD2      LEU  80   3.860  -1.144  -6.108
  648    HA   PRO  81           HA       PRO  81   3.341  -0.401 -13.680
  649   1HB   PRO  81          1HB       PRO  81   5.802  -1.701 -13.773
  650   2HB   PRO  81          2HB       PRO  81   5.568   0.047 -13.697
  651   1HG   PRO  81          1HG       PRO  81   6.191  -1.882 -11.507
  652   2HG   PRO  81          2HG       PRO  81   6.778  -0.227 -11.749
  653   1HD   PRO  81          1HD       PRO  81   4.882  -0.779  -9.942
  654   2HD   PRO  81          2HD       PRO  81   4.837   0.721 -10.895
  655    H    GLU  82           H        GLU  82   2.633  -1.844 -15.120
  656    HA   GLU  82           HA       GLU  82   1.941  -3.783 -16.075
  657   1HB   GLU  82          1HB       GLU  82   4.288  -4.454 -15.956
  658   2HB   GLU  82          2HB       GLU  82   4.060  -5.020 -14.306
  659   1HG   GLU  82          1HG       GLU  82   2.494  -6.718 -15.110
  660   2HG   GLU  82          2HG       GLU  82   2.738  -6.155 -16.762
  661    H    ALA  83           H        ALA  83   0.001  -4.556 -15.662
  662    HA   ALA  83           HA       ALA  83  -0.624  -6.364 -13.624
  663   1HB   ALA  83          1HB       ALA  83  -1.416  -5.190 -11.882
  664   2HB   ALA  83          2HB       ALA  83  -2.147  -3.962 -12.915
  665   3HB   ALA  83          3HB       ALA  83  -0.428  -3.881 -12.531
  666    H    LYS  84           H        LYS  84  -2.470  -7.399 -14.131
  667    HA   LYS  84           HA       LYS  84  -4.750  -6.211 -15.255
  668   1HB   LYS  84          1HB       LYS  84  -4.576  -7.404 -17.524
  669   2HB   LYS  84          2HB       LYS  84  -3.683  -5.907 -17.309
  670   1HG   LYS  84          1HG       LYS  84  -2.218  -7.338 -18.430
  671   2HG   LYS  84          2HG       LYS  84  -1.675  -7.360 -16.753
  672   1HD   LYS  84          1HD       LYS  84  -2.849  -9.477 -16.403
  673   2HD   LYS  84          2HD       LYS  84  -3.407  -9.449 -18.076
  674   1HE   LYS  84          1HE       LYS  84  -1.478 -10.913 -17.828
  675   2HE   LYS  84          2HE       LYS  84  -1.089  -9.529 -18.849
  676   1HZ   LYS  84          1HZ       LYS  84  -0.535  -9.082 -16.065
  677   2HZ   LYS  84          2HZ       LYS  84   0.355 -10.365 -16.717
  678   3HZ   LYS  84          3HZ       LYS  84   0.449  -8.827 -17.417
  679    H    ARG  85           H        ARG  85  -6.487  -7.567 -15.240
  680    HA   ARG  85           HA       ARG  85  -6.216  -9.975 -13.752
  681   1HB   ARG  85          1HB       ARG  85  -8.197  -8.511 -13.596
  682   2HB   ARG  85          2HB       ARG  85  -8.615  -8.910 -15.256
  683   1HG   ARG  85          1HG       ARG  85  -9.973 -10.182 -13.721
  684   2HG   ARG  85          2HG       ARG  85  -8.896 -11.259 -14.612
  685   1HD   ARG  85          1HD       ARG  85  -7.366 -11.295 -12.693
  686   2HD   ARG  85          2HD       ARG  85  -8.459 -10.236 -11.806
  687    HE   ARG  85           HE       ARG  85  -9.629 -12.096 -11.231
  688   1HH1  ARG  85          1HH1      ARG  85  -8.013 -12.737 -14.255
  689   2HH1  ARG  85          2HH1      ARG  85  -8.593 -14.365 -14.365
  690   1HH2  ARG  85          1HH2      ARG  85 -10.392 -14.239 -11.370
  691   2HH2  ARG  85          2HH2      ARG  85  -9.944 -15.218 -12.726
  692    H1   ASN   1           H1       ASN   1   5.427   8.244  -5.681
  693    H2   ASN   1           H2       ASN   1   4.544   8.579  -7.085
  694    H3   ASN   1           H3       ASN   1   3.822   8.764  -5.567
  695    HA   ASN   1           HA       ASN   1   3.002   6.763  -6.513
  696   1HB   ASN   1          1HB       ASN   1   4.593   4.979  -7.187
  697   2HB   ASN   1          2HB       ASN   1   4.783   6.445  -8.146
  698   2HD2  ASN   1          2HD2      ASN   1   6.428   4.083  -6.629
  699   1HD2  ASN   1          1HD2      ASN   1   7.916   4.902  -6.315
  700    H    ILE   2           H        ILE   2   2.253   5.404  -5.015
  701    HA   ILE   2           HA       ILE   2   2.038   4.151  -3.144
  702    HB   ILE   2           HB       ILE   2   5.024   4.439  -3.048
  703   1HG1  ILE   2          1HG1      ILE   2   4.232   3.086  -4.892
  704   2HG1  ILE   2          2HG1      ILE   2   4.956   2.036  -3.680
  705   1HG2  ILE   2          1HG2      ILE   2   3.149   3.113  -1.141
  706   2HG2  ILE   2          2HG2      ILE   2   4.749   2.424  -1.419
  707   3HG2  ILE   2          3HG2      ILE   2   4.591   4.072  -0.812
  708   1HD1  ILE   2          1HD1      ILE   2   2.268   2.139  -2.998
  709   2HD1  ILE   2          2HD1      ILE   2   2.287   2.032  -4.758
  710   3HD1  ILE   2          3HD1      ILE   2   3.118   0.813  -3.791
  711    H    GLN   3           H        GLN   3   4.049   7.046  -2.835
  712    HA   GLN   3           HA       GLN   3   3.789   7.473  -0.099
  713   1HB   GLN   3          1HB       GLN   3   4.199   9.866  -0.637
  714   2HB   GLN   3          2HB       GLN   3   5.341   8.780  -1.414
  715   1HG   GLN   3          1HG       GLN   3   4.850  10.248  -3.105
  716   2HG   GLN   3          2HG       GLN   3   3.726   8.933  -3.433
  717   2HE2  GLN   3          2HE2      GLN   3   2.797  10.650  -0.701
  718   1HE2  GLN   3          1HE2      GLN   3   1.620  11.677  -1.434
  719    H    MET   4           H        MET   4   1.599   7.988  -2.740
  720    HA   MET   4           HA       MET   4  -0.250   9.708  -1.542
  721   1HB   MET   4          1HB       MET   4  -0.803   7.494  -3.528
  722   2HB   MET   4          2HB       MET   4  -1.847   8.868  -3.194
  723   1HG   MET   4          1HG       MET   4  -0.104  10.378  -4.030
  724   2HG   MET   4          2HG       MET   4   0.909   8.984  -4.401
  725   1HE   MET   4          1HE       MET   4  -1.259   6.893  -5.438
  726   2HE   MET   4          2HE       MET   4  -1.211   7.187  -7.175
  727   3HE   MET   4          3HE       MET   4   0.287   7.154  -6.245
  728    H    LEU   5           H        LEU   5   0.024   6.176  -1.470
  729    HA   LEU   5           HA       LEU   5  -2.368   5.788   0.020
  730   1HB   LEU   5          1HB       LEU   5  -0.002   3.967  -0.418
  731   2HB   LEU   5          2HB       LEU   5  -1.485   3.484   0.386
  732    HG   LEU   5           HG       LEU   5  -1.174   4.300  -2.504
  733   1HD1  LEU   5          1HD1      LEU   5  -1.715   1.715  -1.092
  734   2HD1  LEU   5          2HD1      LEU   5  -2.205   1.969  -2.766
  735   3HD1  LEU   5          3HD1      LEU   5  -0.501   2.079  -2.320
  736   1HD2  LEU   5          1HD2      LEU   5  -3.285   5.136  -1.381
  737   2HD2  LEU   5          2HD2      LEU   5  -3.507   4.099  -2.790
  738   3HD2  LEU   5          3HD2      LEU   5  -3.728   3.441  -1.169
  739    H    LEU   6           H        LEU   6   1.084   5.891   0.948
  740    HA   LEU   6           HA       LEU   6   0.721   5.346   3.675
  741   1HB   LEU   6          1HB       LEU   6   2.803   6.898   2.169
  742   2HB   LEU   6          2HB       LEU   6   2.815   6.884   3.919
  743    HG   LEU   6           HG       LEU   6   4.360   5.243   3.241
  744   1HD1  LEU   6          1HD1      LEU   6   1.839   4.361   4.418
  745   2HD1  LEU   6          2HD1      LEU   6   2.800   3.061   3.714
  746   3HD1  LEU   6          3HD1      LEU   6   3.500   4.103   4.953
  747   1HD2  LEU   6          1HD2      LEU   6   3.557   5.065   0.903
  748   2HD2  LEU   6          2HD2      LEU   6   3.950   3.513   1.646
  749   3HD2  LEU   6          3HD2      LEU   6   2.264   4.008   1.470
  750    H    GLU   7           H        GLU   7   0.605   8.353   1.864
  751    HA   GLU   7           HA       GLU   7   0.194  10.076   4.071
  752   1HB   GLU   7          1HB       GLU   7   0.951  10.657   1.684
  753   2HB   GLU   7          2HB       GLU   7  -0.748  10.570   1.246
  754   1HG   GLU   7          1HG       GLU   7   0.456  12.438   3.278
  755   2HG   GLU   7          2HG       GLU   7  -0.039  12.863   1.641
  756    H    ALA   8           H        ALA   8  -1.944   8.355   1.866
  757    HA   ALA   8           HA       ALA   8  -4.392   9.467   2.583
  758   1HB   ALA   8          1HB       ALA   8  -3.593   6.801   1.484
  759   2HB   ALA   8          2HB       ALA   8  -4.438   8.129   0.690
  760   3HB   ALA   8          3HB       ALA   8  -5.276   7.141   1.886
  761    H    ALA   9           H        ALA   9  -2.708   6.660   3.972
  762    HA   ALA   9           HA       ALA   9  -4.661   5.858   5.781
  763   1HB   ALA   9          1HB       ALA   9  -2.519   4.658   5.189
  764   2HB   ALA   9          2HB       ALA   9  -1.705   5.728   6.332
  765   3HB   ALA   9          3HB       ALA   9  -2.970   4.633   6.895
  766    H    ASP  10           H        ASP  10  -2.076   8.251   6.163
  767    HA   ASP  10           HA       ASP  10  -2.530   8.832   8.876
  768   1HB   ASP  10          1HB       ASP  10  -0.485   9.509   7.706
  769   2HB   ASP  10          2HB       ASP  10  -1.415  10.613   6.697
  770    H    TYR  11           H        TYR  11  -3.910  10.156   5.916
  771    HA   TYR  11           HA       TYR  11  -5.311  12.307   7.055
  772   1HB   TYR  11          1HB       TYR  11  -4.992  12.217   4.677
  773   2HB   TYR  11          2HB       TYR  11  -5.836  10.676   4.567
  774    HD1  TYR  11           HD1      TYR  11  -6.599  14.029   6.056
  775    HD2  TYR  11           HD2      TYR  11  -7.888  10.844   3.548
  776    HE1  TYR  11           HE1      TYR  11  -8.714  15.214   5.651
  777    HE2  TYR  11           HE2      TYR  11 -10.004  12.023   3.129
  778    HH   TYR  11           HH       TYR  11 -10.719  14.622   3.218
  779    H    LEU  12           H        LEU  12  -6.565   9.113   6.066
  780    HA   LEU  12           HA       LEU  12  -9.125   9.460   7.136
  781   1HB   LEU  12          1HB       LEU  12  -7.568   6.922   6.656
  782   2HB   LEU  12          2HB       LEU  12  -9.281   6.979   7.024
  783    HG   LEU  12           HG       LEU  12  -7.981   8.181   4.574
  784   1HD1  LEU  12          1HD1      LEU  12  -9.545   5.648   5.013
  785   2HD1  LEU  12          2HD1      LEU  12  -9.302   6.371   3.422
  786   3HD1  LEU  12          3HD1      LEU  12  -7.913   5.822   4.363
  787   1HD2  LEU  12          1HD2      LEU  12 -10.457   8.749   5.813
  788   2HD2  LEU  12          2HD2      LEU  12  -9.867   9.301   4.245
  789   3HD2  LEU  12          3HD2      LEU  12 -10.800   7.808   4.360
  790    H    GLU  13           H        GLU  13  -6.271   7.868   8.536
  791    HA   GLU  13           HA       GLU  13  -7.501   7.114  10.957
  792   1HB   GLU  13          1HB       GLU  13  -5.400   6.120  10.178
  793   2HB   GLU  13          2HB       GLU  13  -4.585   7.665  10.376
  794   1HG   GLU  13          1HG       GLU  13  -4.977   7.575  12.779
  795   2HG   GLU  13          2HG       GLU  13  -5.818   6.037  12.587

  No H/Q in entry =         795
  Start of MODEL   18
    1    H1   GLU   1           H1       GLU   1 -12.630  16.159  -5.670
    2    H2   GLU   1           H2       GLU   1 -13.695  16.045  -4.361
    3    H3   GLU   1           H3       GLU   1 -14.173  16.843  -5.774
    4    HA   GLU   1           HA       GLU   1 -12.843  18.670  -5.383
    5   1HB   GLU   1          1HB       GLU   1 -13.768  17.649  -2.687
    6   2HB   GLU   1          2HB       GLU   1 -13.388  19.323  -3.063
    7   1HG   GLU   1          1HG       GLU   1 -15.220  19.395  -4.660
    8   2HG   GLU   1          2HG       GLU   1 -15.586  17.702  -4.329
    9    H    SER   2           H        SER   2 -11.765  19.033  -2.575
   10    HA   SER   2           HA       SER   2  -9.712  19.121  -1.608
   11   1HB   SER   2          1HB       SER   2  -9.661  16.234  -2.519
   12   2HB   SER   2          2HB       SER   2  -8.559  16.940  -1.337
   13    HG   SER   2           HG       SER   2 -10.967  17.560  -0.528
   14    H    ASP   3           H        ASP   3  -7.403  17.441  -2.470
   15    HA   ASP   3           HA       ASP   3  -6.331  19.287  -4.381
   16   1HB   ASP   3          1HB       ASP   3  -5.160  16.765  -3.185
   17   2HB   ASP   3          2HB       ASP   3  -4.269  17.922  -4.171
   18    H    SER   4           H        SER   4  -4.679  16.899  -5.482
   19    HA   SER   4           HA       SER   4  -5.997  16.709  -7.947
   20   1HB   SER   4          1HB       SER   4  -3.696  16.434  -8.081
   21   2HB   SER   4          2HB       SER   4  -3.649  15.280  -6.750
   22    HG   SER   4           HG       SER   4  -4.422  13.720  -8.082
   23    H    VAL   5           H        VAL   5  -6.828  14.951  -9.019
   24    HA   VAL   5           HA       VAL   5  -8.803  13.494  -7.715
   25    HB   VAL   5           HB       VAL   5  -7.387  12.974 -10.330
   26   1HG1  VAL   5          1HG1      VAL   5  -9.865  11.659  -9.202
   27   2HG1  VAL   5          2HG1      VAL   5  -9.374  11.559 -10.892
   28   3HG1  VAL   5          3HG1      VAL   5  -8.345  10.873  -9.636
   29   1HG2  VAL   5          1HG2      VAL   5  -9.036  15.023  -9.667
   30   2HG2  VAL   5          2HG2      VAL   5  -8.842  14.384 -11.299
   31   3HG2  VAL   5          3HG2      VAL   5 -10.191  13.848 -10.296
   32    H    GLU   6           H        GLU   6  -5.469  12.729  -8.478
   33    HA   GLU   6           HA       GLU   6  -5.464   9.991  -7.928
   34   1HB   GLU   6          1HB       GLU   6  -3.226  11.967  -7.467
   35   2HB   GLU   6          2HB       GLU   6  -3.056  10.224  -7.624
   36   1HG   GLU   6          1HG       GLU   6  -3.849  10.342  -9.923
   37   2HG   GLU   6          2HG       GLU   6  -4.049  12.086  -9.769
   38    H    PHE   7           H        PHE   7  -5.086  12.761  -5.768
   39    HA   PHE   7           HA       PHE   7  -4.328  11.362  -3.464
   40   1HB   PHE   7          1HB       PHE   7  -4.177  13.816  -3.704
   41   2HB   PHE   7          2HB       PHE   7  -5.933  13.921  -3.658
   42    HD1  PHE   7           HD1      PHE   7  -3.743  11.786  -1.549
   43    HD2  PHE   7           HD2      PHE   7  -6.309  15.177  -1.733
   44    HE1  PHE   7           HE1      PHE   7  -3.672  11.967   0.901
   45    HE2  PHE   7           HE2      PHE   7  -6.242  15.363   0.719
   46    HZ   PHE   7           HZ       PHE   7  -4.923  13.757   2.039
   47    H    ASN   8           H        ASN   8  -7.586  12.528  -4.367
   48    HA   ASN   8           HA       ASN   8  -8.914  11.209  -2.254
   49   1HB   ASN   8          1HB       ASN   8 -10.228  12.876  -3.100
   50   2HB   ASN   8          2HB       ASN   8  -9.661  12.633  -4.748
   51   2HD2  ASN   8          2HD2      ASN   8 -11.051  11.842  -6.088
   52   1HD2  ASN   8          1HD2      ASN   8 -12.418  10.875  -5.693
   53    H    ASN   9           H        ASN   9  -8.040  10.320  -5.504
   54    HA   ASN   9           HA       ASN   9  -9.603   8.034  -5.852
   55   1HB   ASN   9          1HB       ASN   9  -7.974   9.343  -7.460
   56   2HB   ASN   9          2HB       ASN   9  -6.803   8.169  -6.903
   57   2HD2  ASN   9          2HD2      ASN   9  -8.497   8.815  -9.385
   58   1HD2  ASN   9          1HD2      ASN   9  -8.952   7.250  -9.914
   59    H    ALA  10           H        ALA  10  -6.541   8.582  -4.235
   60    HA   ALA  10           HA       ALA  10  -5.963   5.837  -3.715
   61   1HB   ALA  10          1HB       ALA  10  -4.906   8.406  -2.552
   62   2HB   ALA  10          2HB       ALA  10  -4.316   6.813  -2.077
   63   3HB   ALA  10          3HB       ALA  10  -4.139   7.358  -3.745
   64    H    ILE  11           H        ILE  11  -7.459   8.471  -1.880
   65    HA   ILE  11           HA       ILE  11  -7.697   7.278   0.604
   66    HB   ILE  11           HB       ILE  11  -9.777   9.038  -0.694
   67   1HG1  ILE  11          1HG1      ILE  11  -7.559  10.081  -0.776
   68   2HG1  ILE  11          2HG1      ILE  11  -8.606  10.919   0.358
   69   1HG2  ILE  11          1HG2      ILE  11  -9.365   7.989   2.035
   70   2HG2  ILE  11          2HG2      ILE  11  -9.859   9.678   1.898
   71   3HG2  ILE  11          3HG2      ILE  11 -10.858   8.407   1.189
   72   1HD1  ILE  11          1HD1      ILE  11  -7.046   8.846   1.644
   73   2HD1  ILE  11          2HD1      ILE  11  -6.039  10.042   0.826
   74   3HD1  ILE  11          3HD1      ILE  11  -7.208  10.556   2.041
   75    H    SER  12           H        SER  12  -9.880   7.027  -2.182
   76    HA   SER  12           HA       SER  12 -11.917   5.573  -0.978
   77   1HB   SER  12          1HB       SER  12 -12.525   4.838  -3.242
   78   2HB   SER  12          2HB       SER  12 -12.099   6.549  -3.232
   79    HG   SER  12           HG       SER  12 -11.096   5.507  -4.965
   80    H    TYR  13           H        TYR  13  -8.831   4.480  -2.294
   81    HA   TYR  13           HA       TYR  13  -9.412   1.710  -2.217
   82   1HB   TYR  13          1HB       TYR  13  -7.524   2.723  -3.497
   83   2HB   TYR  13          2HB       TYR  13  -6.706   3.041  -1.973
   84    HD1  TYR  13           HD1      TYR  13  -8.497   0.087  -3.407
   85    HD2  TYR  13           HD2      TYR  13  -4.937   1.600  -1.639
   86    HE1  TYR  13           HE1      TYR  13  -7.520  -2.167  -3.464
   87    HE2  TYR  13           HE2      TYR  13  -3.947  -0.651  -1.692
   88    HH   TYR  13           HH       TYR  13  -5.437  -3.277  -3.382
   89    H    VAL  14           H        VAL  14  -7.509   3.752  -0.006
   90    HA   VAL  14           HA       VAL  14  -7.043   1.807   1.955
   91    HB   VAL  14           HB       VAL  14  -7.329   4.779   2.413
   92   1HG1  VAL  14          1HG1      VAL  14  -7.212   3.292   4.424
   93   2HG1  VAL  14          2HG1      VAL  14  -5.614   2.782   3.878
   94   3HG1  VAL  14          3HG1      VAL  14  -5.904   4.470   4.300
   95   1HG2  VAL  14          1HG2      VAL  14  -5.788   4.056   0.512
   96   2HG2  VAL  14          2HG2      VAL  14  -5.090   5.076   1.772
   97   3HG2  VAL  14          3HG2      VAL  14  -4.772   3.341   1.765
   98    H    ASN  15           H        ASN  15  -9.611   4.202   1.659
   99    HA   ASN  15           HA       ASN  15 -10.926   3.747   4.082
  100   1HB   ASN  15          1HB       ASN  15 -11.241   5.613   2.384
  101   2HB   ASN  15          2HB       ASN  15 -12.266   4.508   1.500
  102   2HD2  ASN  15          2HD2      ASN  15 -14.138   5.586   1.731
  103   1HD2  ASN  15          1HD2      ASN  15 -14.946   5.808   3.243
  104    H    LYS  16           H        LYS  16 -11.664   2.490   0.850
  105    HA   LYS  16           HA       LYS  16 -13.786   0.821   1.529
  106   1HB   LYS  16          1HB       LYS  16 -13.084   1.307  -0.804
  107   2HB   LYS  16          2HB       LYS  16 -11.671   0.282  -0.574
  108   1HG   LYS  16          1HG       LYS  16 -13.163  -1.637  -0.169
  109   2HG   LYS  16          2HG       LYS  16 -14.550  -0.597  -0.499
  110   1HD   LYS  16          1HD       LYS  16 -13.670  -0.170  -2.756
  111   2HD   LYS  16          2HD       LYS  16 -12.315  -1.251  -2.419
  112   1HE   LYS  16          1HE       LYS  16 -13.885  -3.102  -2.080
  113   2HE   LYS  16          2HE       LYS  16 -15.232  -2.019  -2.431
  114   1HZ   LYS  16          1HZ       LYS  16 -13.655  -1.687  -4.585
  115   2HZ   LYS  16          2HZ       LYS  16 -13.402  -3.324  -4.237
  116   3HZ   LYS  16          3HZ       LYS  16 -14.969  -2.751  -4.513
  117    H    ILE  17           H        ILE  17 -10.318   0.269   1.706
  118    HA   ILE  17           HA       ILE  17 -10.371  -2.470   2.344
  119    HB   ILE  17           HB       ILE  17  -8.375  -0.314   3.050
  120   1HG1  ILE  17          1HG1      ILE  17  -8.247  -2.549   1.013
  121   2HG1  ILE  17          2HG1      ILE  17  -8.674  -0.883   0.640
  122   1HG2  ILE  17          1HG2      ILE  17  -8.336  -3.256   3.619
  123   2HG2  ILE  17          2HG2      ILE  17  -6.840  -2.347   3.407
  124   3HG2  ILE  17          3HG2      ILE  17  -7.963  -1.909   4.695
  125   1HD1  ILE  17          1HD1      ILE  17  -6.394  -0.294   1.662
  126   2HD1  ILE  17          2HD1      ILE  17  -6.033  -2.008   1.470
  127   3HD1  ILE  17          3HD1      ILE  17  -6.437  -1.030   0.059
  128    H    LYS  18           H        LYS  18 -10.706   0.444   4.263
  129    HA   LYS  18           HA       LYS  18 -10.553  -0.728   6.823
  130   1HB   LYS  18          1HB       LYS  18 -10.380   1.721   6.349
  131   2HB   LYS  18          2HB       LYS  18 -12.098   1.734   5.988
  132   1HG   LYS  18          1HG       LYS  18 -12.566   0.980   8.286
  133   2HG   LYS  18          2HG       LYS  18 -10.842   1.074   8.642
  134   1HD   LYS  18          1HD       LYS  18 -12.482   3.410   7.673
  135   2HD   LYS  18          2HD       LYS  18 -12.192   3.060   9.376
  136   1HE   LYS  18          1HE       LYS  18 -10.616   4.717   8.661
  137   2HE   LYS  18          2HE       LYS  18  -9.751   3.205   8.929
  138   1HZ   LYS  18          1HZ       LYS  18 -10.715   3.902   6.234
  139   2HZ   LYS  18          2HZ       LYS  18  -9.274   4.569   6.816
  140   3HZ   LYS  18          3HZ       LYS  18  -9.435   2.891   6.680
  141    H    THR  19           H        THR  19 -13.355   0.195   4.836
  142    HA   THR  19           HA       THR  19 -15.298  -0.834   6.615
  143    HB   THR  19           HB       THR  19 -15.775   0.876   4.856
  144    HG1  THR  19           HG1      THR  19 -17.839   0.097   4.523
  145   1HG2  THR  19          1HG2      THR  19 -14.995  -1.361   3.118
  146   2HG2  THR  19          2HG2      THR  19 -16.462  -0.514   2.626
  147   3HG2  THR  19          3HG2      THR  19 -14.952   0.376   2.821
  148    H    ARG  20           H        ARG  20 -13.434  -2.283   4.055
  149    HA   ARG  20           HA       ARG  20 -15.055  -4.542   3.605
  150   1HB   ARG  20          1HB       ARG  20 -13.268  -3.864   2.069
  151   2HB   ARG  20          2HB       ARG  20 -12.062  -4.232   3.299
  152   1HG   ARG  20          1HG       ARG  20 -12.288  -5.978   1.558
  153   2HG   ARG  20          2HG       ARG  20 -12.579  -6.569   3.197
  154   1HD   ARG  20          1HD       ARG  20 -14.986  -6.383   2.829
  155   2HD   ARG  20          2HD       ARG  20 -14.693  -5.808   1.188
  156    HE   ARG  20           HE       ARG  20 -13.414  -8.285   1.530
  157   1HH1  ARG  20          1HH1      ARG  20 -16.615  -6.930   1.301
  158   2HH1  ARG  20          2HH1      ARG  20 -17.321  -8.373   0.654
  159   1HH2  ARG  20          1HH2      ARG  20 -14.332 -10.191   0.677
  160   2HH2  ARG  20          2HH2      ARG  20 -16.022 -10.227   0.299
  161    H    PHE  21           H        PHE  21 -12.009  -4.346   5.433
  162    HA   PHE  21           HA       PHE  21 -12.744  -6.764   6.881
  163   1HB   PHE  21          1HB       PHE  21 -10.159  -5.203   6.868
  164   2HB   PHE  21          2HB       PHE  21 -10.426  -6.722   7.707
  165    HD1  PHE  21           HD1      PHE  21 -10.387  -5.178   4.337
  166    HD2  PHE  21           HD2      PHE  21 -10.105  -8.754   6.622
  167    HE1  PHE  21           HE1      PHE  21  -9.696  -6.408   2.320
  168    HE2  PHE  21           HE2      PHE  21  -9.403  -9.990   4.618
  169    HZ   PHE  21           HZ       PHE  21  -9.202  -8.818   2.458
  170    H    LEU  22           H        LEU  22 -14.350  -4.626   7.611
  171    HA   LEU  22           HA       LEU  22 -13.503  -3.034   9.717
  172   1HB   LEU  22          1HB       LEU  22 -16.183  -4.285   9.158
  173   2HB   LEU  22          2HB       LEU  22 -15.923  -3.172  10.484
  174    HG   LEU  22           HG       LEU  22 -15.438  -2.491   7.589
  175   1HD1  LEU  22          1HD1      LEU  22 -17.819  -2.957   8.089
  176   2HD1  LEU  22          2HD1      LEU  22 -17.763  -1.719   9.344
  177   3HD1  LEU  22          3HD1      LEU  22 -17.513  -1.275   7.656
  178   1HD2  LEU  22          1HD2      LEU  22 -15.506  -0.818  10.097
  179   2HD2  LEU  22          2HD2      LEU  22 -14.103  -1.151   9.082
  180   3HD2  LEU  22          3HD2      LEU  22 -15.430  -0.174   8.458
  181    H    ASP  23           H        ASP  23 -14.490  -6.402   9.721
  182    HA   ASP  23           HA       ASP  23 -14.532  -6.662  12.568
  183   1HB   ASP  23          1HB       ASP  23 -14.397  -8.784  10.423
  184   2HB   ASP  23          2HB       ASP  23 -14.728  -9.071  12.127
  185    H    HIS  24           H        HIS  24 -12.165  -7.234  10.027
  186    HA   HIS  24           HA       HIS  24 -10.215  -8.113  12.021
  187   1HB   HIS  24          1HB       HIS  24 -10.272  -8.369   9.016
  188   2HB   HIS  24          2HB       HIS  24  -8.939  -8.879  10.029
  189    HD1  HIS  24           HD1      HIS  24  -9.920 -10.610  12.082
  190    HD2  HIS  24           HD2      HIS  24 -11.860 -10.450   8.411
  191    HE1  HIS  24           HE1      HIS  24 -11.238 -12.746  11.924
  192    HE2  HIS  24           HE2      HIS  24 -12.332 -12.667   9.656
  193    HA   PRO  25           HA       PRO  25  -9.076  -3.648  11.186
  194   1HB   PRO  25          1HB       PRO  25  -7.843  -3.415  13.622
  195   2HB   PRO  25          2HB       PRO  25  -9.527  -2.998  13.313
  196   1HG   PRO  25          1HG       PRO  25  -8.381  -5.511  14.472
  197   2HG   PRO  25          2HG       PRO  25  -9.815  -4.596  14.980
  198   1HD   PRO  25          1HD       PRO  25 -10.069  -6.822  13.531
  199   2HD   PRO  25          2HD       PRO  25 -11.109  -5.415  13.221
  200    H    GLU  26           H        GLU  26  -7.239  -6.341  12.539
  201    HA   GLU  26           HA       GLU  26  -4.661  -5.394  12.296
  202   1HB   GLU  26          1HB       GLU  26  -3.963  -7.748  12.101
  203   2HB   GLU  26          2HB       GLU  26  -5.173  -7.524  13.356
  204   1HG   GLU  26          1HG       GLU  26  -6.899  -8.359  11.844
  205   2HG   GLU  26          2HG       GLU  26  -5.684  -8.586  10.586
  206    H    ILE  27           H        ILE  27  -6.817  -6.557   9.803
  207    HA   ILE  27           HA       ILE  27  -4.934  -6.912   7.731
  208    HB   ILE  27           HB       ILE  27  -7.768  -5.983   7.318
  209   1HG1  ILE  27          1HG1      ILE  27  -7.673  -7.847   8.986
  210   2HG1  ILE  27          2HG1      ILE  27  -8.544  -8.246   7.515
  211   1HG2  ILE  27          1HG2      ILE  27  -5.940  -7.755   5.703
  212   2HG2  ILE  27          2HG2      ILE  27  -7.611  -7.368   5.293
  213   3HG2  ILE  27          3HG2      ILE  27  -6.394  -6.093   5.327
  214   1HD1  ILE  27          1HD1      ILE  27  -5.682  -8.956   7.608
  215   2HD1  ILE  27          2HD1      ILE  27  -6.785  -9.870   8.640
  216   3HD1  ILE  27          3HD1      ILE  27  -7.051  -9.815   6.896
  217    H    TYR  28           H        TYR  28  -7.017  -4.169   8.582
  218    HA   TYR  28           HA       TYR  28  -6.251  -2.413   6.562
  219   1HB   TYR  28          1HB       TYR  28  -8.185  -2.033   7.994
  220   2HB   TYR  28          2HB       TYR  28  -7.131  -1.805   9.378
  221    HD1  TYR  28           HD1      TYR  28  -7.575  -0.442   5.940
  222    HD2  TYR  28           HD2      TYR  28  -6.720   0.373  10.021
  223    HE1  TYR  28           HE1      TYR  28  -7.464   1.963   5.428
  224    HE2  TYR  28           HE2      TYR  28  -6.610   2.780   9.528
  225    HH   TYR  28           HH       TYR  28  -7.547   4.343   7.763
  226    H    ARG  29           H        ARG  29  -5.009  -2.725   9.863
  227    HA   ARG  29           HA       ARG  29  -3.081  -0.715   9.742
  228   1HB   ARG  29          1HB       ARG  29  -3.080  -3.279  11.335
  229   2HB   ARG  29          2HB       ARG  29  -2.033  -1.905  11.637
  230   1HG   ARG  29          1HG       ARG  29  -5.035  -1.864  11.778
  231   2HG   ARG  29          2HG       ARG  29  -3.953  -1.984  13.163
  232   1HD   ARG  29          1HD       ARG  29  -4.102   0.314  11.213
  233   2HD   ARG  29          2HD       ARG  29  -4.753   0.303  12.851
  234    HE   ARG  29           HE       ARG  29  -2.029  -0.300  12.993
  235   1HH1  ARG  29          1HH1      ARG  29  -4.109   2.364  12.139
  236   2HH1  ARG  29          2HH1      ARG  29  -2.958   3.575  12.593
  237   1HH2  ARG  29          1HH2      ARG  29  -0.509   1.291  13.596
  238   2HH2  ARG  29          2HH2      ARG  29  -0.913   2.967  13.419
  239    H    SER  30           H        SER  30  -2.624  -4.222   9.376
  240    HA   SER  30           HA       SER  30   0.029  -4.367   8.818
  241   1HB   SER  30          1HB       SER  30  -1.404  -6.342   8.986
  242   2HB   SER  30          2HB       SER  30  -2.164  -5.940   7.447
  243    HG   SER  30           HG       SER  30  -0.079  -6.184   6.481
  244    H    PHE  31           H        PHE  31  -2.512  -3.829   6.361
  245    HA   PHE  31           HA       PHE  31  -0.942  -3.634   4.106
  246   1HB   PHE  31          1HB       PHE  31  -3.336  -3.573   3.906
  247   2HB   PHE  31          2HB       PHE  31  -3.433  -2.095   4.858
  248    HD1  PHE  31           HD1      PHE  31  -1.745  -3.325   1.761
  249    HD2  PHE  31           HD2      PHE  31  -3.784  -0.143   3.721
  250    HE1  PHE  31           HE1      PHE  31  -1.622  -1.984  -0.298
  251    HE2  PHE  31           HE2      PHE  31  -3.669   1.201   1.663
  252    HZ   PHE  31           HZ       PHE  31  -2.587   0.282  -0.349
  253    H    LEU  32           H        LEU  32  -1.773  -1.067   6.405
  254    HA   LEU  32           HA       LEU  32  -0.378   1.003   5.104
  255   1HB   LEU  32          1HB       LEU  32  -0.930   0.750   8.058
  256   2HB   LEU  32          2HB       LEU  32  -0.616   2.230   7.174
  257    HG   LEU  32           HG       LEU  32  -3.049   0.464   6.902
  258   1HD1  LEU  32          1HD1      LEU  32  -2.421   2.587   8.672
  259   2HD1  LEU  32          2HD1      LEU  32  -3.650   3.154   7.541
  260   3HD1  LEU  32          3HD1      LEU  32  -3.937   1.703   8.500
  261   1HD2  LEU  32          1HD2      LEU  32  -2.006   2.710   5.266
  262   2HD2  LEU  32          2HD2      LEU  32  -2.903   1.274   4.777
  263   3HD2  LEU  32          3HD2      LEU  32  -3.745   2.618   5.547
  264    H    GLU  33           H        GLU  33   0.561  -1.363   7.523
  265    HA   GLU  33           HA       GLU  33   3.133  -0.321   8.084
  266   1HB   GLU  33          1HB       GLU  33   1.958  -1.988   9.507
  267   2HB   GLU  33          2HB       GLU  33   2.170  -3.191   8.242
  268   1HG   GLU  33          1HG       GLU  33   3.823  -3.541   9.929
  269   2HG   GLU  33          2HG       GLU  33   4.619  -2.940   8.477
  270    H    ILE  34           H        ILE  34   1.834  -2.326   5.532
  271    HA   ILE  34           HA       ILE  34   4.248  -3.375   4.523
  272    HB   ILE  34           HB       ILE  34   1.725  -2.707   3.016
  273   1HG1  ILE  34          1HG1      ILE  34   2.621  -5.248   4.390
  274   2HG1  ILE  34          2HG1      ILE  34   1.323  -4.187   4.923
  275   1HG2  ILE  34          1HG2      ILE  34   3.811  -3.090   1.657
  276   2HG2  ILE  34          2HG2      ILE  34   3.845  -4.728   2.312
  277   3HG2  ILE  34          3HG2      ILE  34   2.480  -4.200   1.327
  278   1HD1  ILE  34          1HD1      ILE  34   0.144  -4.672   2.809
  279   2HD1  ILE  34          2HD1      ILE  34   1.403  -5.847   2.432
  280   3HD1  ILE  34          3HD1      ILE  34   0.375  -6.079   3.846
  281    H    LEU  35           H        LEU  35   2.281  -0.633   3.366
  282    HA   LEU  35           HA       LEU  35   4.135   0.373   1.521
  283   1HB   LEU  35          1HB       LEU  35   2.055   1.851   3.151
  284   2HB   LEU  35          2HB       LEU  35   2.894   2.515   1.757
  285    HG   LEU  35           HG       LEU  35   1.127   0.069   1.627
  286   1HD1  LEU  35          1HD1      LEU  35   0.335   2.736   2.015
  287   2HD1  LEU  35          2HD1      LEU  35   0.050   2.375   0.313
  288   3HD1  LEU  35          3HD1      LEU  35  -0.673   1.361   1.562
  289   1HD2  LEU  35          1HD2      LEU  35   3.005   1.124  -0.165
  290   2HD2  LEU  35          2HD2      LEU  35   1.783  -0.108  -0.489
  291   3HD2  LEU  35          3HD2      LEU  35   1.424   1.594  -0.794
  292    H    HIS  36           H        HIS  36   3.724   0.813   4.950
  293    HA   HIS  36           HA       HIS  36   5.517   2.927   5.393
  294   1HB   HIS  36          1HB       HIS  36   4.059   0.948   6.972
  295   2HB   HIS  36          2HB       HIS  36   5.599   1.377   7.693
  296    HD1  HIS  36           HD1      HIS  36   5.855   4.269   7.500
  297    HD2  HIS  36           HD2      HIS  36   2.142   2.485   8.019
  298    HE1  HIS  36           HE1      HIS  36   4.383   6.058   8.476
  299    HE2  HIS  36           HE2      HIS  36   2.115   4.980   8.703
  300    H    THR  37           H        THR  37   5.979  -0.589   5.555
  301    HA   THR  37           HA       THR  37   8.630  -0.668   6.362
  302    HB   THR  37           HB       THR  37   7.228  -2.564   4.462
  303    HG1  THR  37           HG1      THR  37   6.919  -3.763   6.447
  304   1HG2  THR  37          1HG2      THR  37   9.916  -2.481   5.048
  305   2HG2  THR  37          2HG2      THR  37   9.294  -3.639   6.224
  306   3HG2  THR  37          3HG2      THR  37   9.027  -3.903   4.501
  307    H    TYR  38           H        TYR  38   7.273  -0.420   3.104
  308    HA   TYR  38           HA       TYR  38   9.548  -0.634   1.576
  309   1HB   TYR  38          1HB       TYR  38   7.645  -0.487   0.307
  310   2HB   TYR  38          2HB       TYR  38   6.986   0.819   1.272
  311    HD1  TYR  38           HD1      TYR  38   9.547   0.034  -1.295
  312    HD2  TYR  38           HD2      TYR  38   7.225   3.059   0.592
  313    HE1  TYR  38           HE1      TYR  38  10.296   1.655  -2.985
  314    HE2  TYR  38           HE2      TYR  38   7.964   4.688  -1.088
  315    HH   TYR  38           HH       TYR  38   8.891   4.327  -3.721
  316    H    GLN  39           H        GLN  39   8.327   2.183   3.305
  317    HA   GLN  39           HA       GLN  39  10.350   3.944   2.322
  318   1HB   GLN  39          1HB       GLN  39   8.379   4.200   4.585
  319   2HB   GLN  39          2HB       GLN  39   9.472   5.486   4.085
  320   1HG   GLN  39          1HG       GLN  39   7.458   4.177   2.276
  321   2HG   GLN  39          2HG       GLN  39   7.180   5.670   3.158
  322   2HE2  GLN  39          2HE2      GLN  39  10.313   5.864   2.499
  323   1HE2  GLN  39          1HE2      GLN  39  10.275   6.661   0.969
  324    H    LYS  40           H        LYS  40   9.886   2.040   5.250
  325    HA   LYS  40           HA       LYS  40  12.001   3.091   6.761
  326   1HB   LYS  40          1HB       LYS  40  10.926   0.263   6.790
  327   2HB   LYS  40          2HB       LYS  40  11.859   1.030   8.067
  328   1HG   LYS  40          1HG       LYS  40   9.127   1.906   7.148
  329   2HG   LYS  40          2HG       LYS  40   9.465   0.934   8.581
  330   1HD   LYS  40          1HD       LYS  40  10.818   2.770   9.489
  331   2HD   LYS  40          2HD       LYS  40  10.443   3.740   8.065
  332   1HE   LYS  40          1HE       LYS  40   8.452   2.683  10.069
  333   2HE   LYS  40          2HE       LYS  40   9.018   4.348   9.951
  334   1HZ   LYS  40          1HZ       LYS  40   7.616   2.935   7.753
  335   2HZ   LYS  40          2HZ       LYS  40   6.830   3.914   8.885
  336   3HZ   LYS  40          3HZ       LYS  40   7.980   4.584   7.845
  337    H    GLU  41           H        GLU  41  11.916   0.117   4.802
  338    HA   GLU  41           HA       GLU  41  14.772  -0.193   4.952
  339   1HB   GLU  41          1HB       GLU  41  12.679  -1.716   3.397
  340   2HB   GLU  41          2HB       GLU  41  14.381  -2.151   3.464
  341   1HG   GLU  41          1HG       GLU  41  14.190  -2.432   5.900
  342   2HG   GLU  41          2HG       GLU  41  12.469  -2.064   5.788
  343    H    GLN  42           H        GLN  42  14.458   2.243   3.876
  344    HA   GLN  42           HA       GLN  42  15.465   1.843   1.173
  345   1HB   GLN  42          1HB       GLN  42  13.100   2.279   0.835
  346   2HB   GLN  42          2HB       GLN  42  13.189   3.714   1.847
  347   1HG   GLN  42          1HG       GLN  42  14.695   4.757   0.242
  348   2HG   GLN  42          2HG       GLN  42  14.612   3.322  -0.773
  349   2HE2  GLN  42          2HE2      GLN  42  11.628   3.595   0.520
  350   1HE2  GLN  42          1HE2      GLN  42  10.855   4.537  -0.703
  351    H    LEU  43           H        LEU  43  14.658   4.343   3.593
  352    HA   LEU  43           HA       LEU  43  16.872   5.981   2.728
  353   1HB   LEU  43          1HB       LEU  43  14.902   6.304   4.978
  354   2HB   LEU  43          2HB       LEU  43  16.135   7.482   4.575
  355    HG   LEU  43           HG       LEU  43  13.888   6.617   2.756
  356   1HD1  LEU  43          1HD1      LEU  43  13.854   8.388   4.927
  357   2HD1  LEU  43          2HD1      LEU  43  13.913   9.395   3.479
  358   3HD1  LEU  43          3HD1      LEU  43  12.629   8.201   3.670
  359   1HD2  LEU  43          1HD2      LEU  43  16.364   8.054   2.289
  360   2HD2  LEU  43          2HD2      LEU  43  15.197   7.406   1.136
  361   3HD2  LEU  43          3HD2      LEU  43  14.945   9.002   1.844
  362    H    HIS  44           H        HIS  44  17.672   3.428   3.672
  363    HA   HIS  44           HA       HIS  44  19.371   4.246   5.915
  364   1HB   HIS  44          1HB       HIS  44  17.772   1.687   5.697
  365   2HB   HIS  44          2HB       HIS  44  19.167   1.841   6.756
  366    HD1  HIS  44           HD1      HIS  44  16.650   1.158   8.132
  367    HD2  HIS  44           HD2      HIS  44  17.701   5.100   7.351
  368    HE1  HIS  44           HE1      HIS  44  15.369   2.539   9.799
  369    HE2  HIS  44           HE2      HIS  44  16.061   4.917   9.341
  370    H    THR  45           H        THR  45  21.458   3.893   5.431
  371    HA   THR  45           HA       THR  45  22.072   1.765   3.522
  372    HB   THR  45           HB       THR  45  23.732   3.243   2.398
  373    HG1  THR  45           HG1      THR  45  22.446   5.532   3.300
  374   1HG2  THR  45          1HG2      THR  45  20.810   3.975   2.322
  375   2HG2  THR  45          2HG2      THR  45  21.987   4.663   1.203
  376   3HG2  THR  45          3HG2      THR  45  21.702   2.922   1.223
  377    H    LYS  46           H        LYS  46  23.852   0.593   4.030
  378    HA   LYS  46           HA       LYS  46  26.136   1.567   5.317
  379   1HB   LYS  46          1HB       LYS  46  24.318   1.583   7.183
  380   2HB   LYS  46          2HB       LYS  46  24.577  -0.157   7.211
  381   1HG   LYS  46          1HG       LYS  46  25.916   1.005   8.901
  382   2HG   LYS  46          2HG       LYS  46  26.925   0.170   7.716
  383   1HD   LYS  46          1HD       LYS  46  27.316   2.259   6.539
  384   2HD   LYS  46          2HD       LYS  46  26.244   3.110   7.652
  385   1HE   LYS  46          1HE       LYS  46  28.810   1.717   8.411
  386   2HE   LYS  46          2HE       LYS  46  28.617   3.455   8.195
  387   1HZ   LYS  46          1HZ       LYS  46  26.670   2.441   9.993
  388   2HZ   LYS  46          2HZ       LYS  46  28.224   2.019  10.511
  389   3HZ   LYS  46          3HZ       LYS  46  27.834   3.642  10.245
  390    H    GLY  47           H        GLY  47  25.816   0.027   3.122
  391   1HA   GLY  47          1HA       GLY  47  25.879  -2.752   3.467
  392   2HA   GLY  47          2HA       GLY  47  27.526  -2.155   3.619
  393    H    ARG  48           H        ARG  48  26.170  -3.852   1.553
  394    HA   ARG  48           HA       ARG  48  27.413  -2.653  -0.724
  395   1HB   ARG  48          1HB       ARG  48  25.698  -5.129  -0.468
  396   2HB   ARG  48          2HB       ARG  48  26.535  -4.648  -1.938
  397   1HG   ARG  48          1HG       ARG  48  28.679  -4.821  -0.763
  398   2HG   ARG  48          2HG       ARG  48  27.826  -5.342   0.691
  399   1HD   ARG  48          1HD       ARG  48  26.989  -7.302  -0.480
  400   2HD   ARG  48          2HD       ARG  48  27.775  -6.770  -1.966
  401    HE   ARG  48           HE       ARG  48  28.970  -8.234   0.119
  402   1HH1  ARG  48          1HH1      ARG  48  29.638  -5.589  -2.053
  403   2HH1  ARG  48          2HH1      ARG  48  31.352  -5.841  -2.036
  404   1HH2  ARG  48          1HH2      ARG  48  31.222  -8.572   0.144
  405   2HH2  ARG  48          2HH2      ARG  48  32.252  -7.538  -0.790
  406    HA   PRO  49           HA       PRO  49  24.063  -0.202  -2.250
  407   1HB   PRO  49          1HB       PRO  49  24.633  -0.424  -4.949
  408   2HB   PRO  49          2HB       PRO  49  25.394   0.727  -3.846
  409   1HG   PRO  49          1HG       PRO  49  26.394  -1.918  -4.815
  410   2HG   PRO  49          2HG       PRO  49  27.282  -0.403  -4.570
  411   1HD   PRO  49          1HD       PRO  49  27.440  -2.412  -2.806
  412   2HD   PRO  49          2HD       PRO  49  27.430  -0.717  -2.274
  413    H    PHE  50           H        PHE  50  22.003  -0.727  -2.547
  414    HA   PHE  50           HA       PHE  50  21.012  -2.418  -4.548
  415   1HB   PHE  50          1HB       PHE  50  22.010  -4.216  -3.197
  416   2HB   PHE  50          2HB       PHE  50  21.087  -3.681  -1.796
  417    HD1  PHE  50           HD1      PHE  50  20.134  -4.222  -5.363
  418    HD2  PHE  50           HD2      PHE  50  19.527  -5.290  -1.288
  419    HE1  PHE  50           HE1      PHE  50  18.279  -5.692  -6.030
  420    HE2  PHE  50           HE2      PHE  50  17.670  -6.763  -1.948
  421    HZ   PHE  50           HZ       PHE  50  17.043  -6.966  -4.322
  422    H    ARG  51           H        ARG  51  18.817  -2.189  -4.758
  423    HA   ARG  51           HA       ARG  51  17.543  -0.086  -3.494
  424   1HB   ARG  51          1HB       ARG  51  16.398  -2.437  -4.973
  425   2HB   ARG  51          2HB       ARG  51  15.421  -1.084  -4.430
  426   1HG   ARG  51          1HG       ARG  51  17.744  -0.890  -6.325
  427   2HG   ARG  51          2HG       ARG  51  16.038  -0.905  -6.777
  428   1HD   ARG  51          1HD       ARG  51  15.673   1.138  -5.494
  429   2HD   ARG  51          2HD       ARG  51  17.370   1.151  -5.020
  430    HE   ARG  51           HE       ARG  51  17.262   1.104  -7.806
  431   1HH1  ARG  51          1HH1      ARG  51  16.392   3.225  -5.182
  432   2HH1  ARG  51          2HH1      ARG  51  16.621   4.672  -6.106
  433   1HH2  ARG  51          1HH2      ARG  51  17.568   3.002  -9.028
  434   2HH2  ARG  51          2HH2      ARG  51  17.288   4.546  -8.293
  435    H    GLY  52           H        GLY  52  17.550  -3.441  -2.758
  436   1HA   GLY  52          1HA       GLY  52  16.805  -2.980  -0.028
  437   2HA   GLY  52          2HA       GLY  52  17.128  -4.531  -0.767
  438    H    MET  53           H        MET  53  14.723  -2.091  -1.527
  439    HA   MET  53           HA       MET  53  12.660  -4.069  -1.742
  440   1HB   MET  53          1HB       MET  53  12.742  -3.767   0.677
  441   2HB   MET  53          2HB       MET  53  12.545  -2.035   0.483
  442   1HG   MET  53          1HG       MET  53  10.333  -2.388  -0.488
  443   2HG   MET  53          2HG       MET  53  10.528  -4.129  -0.296
  444   1HE   MET  53          1HE       MET  53   8.204  -3.497   0.439
  445   2HE   MET  53          2HE       MET  53   7.899  -3.842   2.141
  446   3HE   MET  53          3HE       MET  53   7.912  -2.172   1.568
  447    H    SER  54           H        SER  54  10.753  -3.291  -2.687
  448    HA   SER  54           HA       SER  54  10.324  -0.522  -3.224
  449   1HB   SER  54          1HB       SER  54  10.595  -0.631  -5.677
  450   2HB   SER  54          2HB       SER  54  12.123  -0.913  -4.844
  451    HG   SER  54           HG       SER  54  11.622  -3.211  -5.104
  452    H    GLU  55           H        GLU  55   9.031  -1.390  -5.876
  453    HA   GLU  55           HA       GLU  55   6.455  -1.887  -4.839
  454   1HB   GLU  55          1HB       GLU  55   5.962  -1.070  -6.852
  455   2HB   GLU  55          2HB       GLU  55   7.635  -1.245  -7.362
  456   1HG   GLU  55          1HG       GLU  55   7.200  -3.535  -8.031
  457   2HG   GLU  55          2HG       GLU  55   5.525  -3.379  -7.502
  458    H    GLU  56           H        GLU  56   9.011  -3.945  -5.980
  459    HA   GLU  56           HA       GLU  56   7.626  -6.273  -6.568
  460   1HB   GLU  56          1HB       GLU  56   9.754  -7.448  -6.019
  461   2HB   GLU  56          2HB       GLU  56   9.955  -6.076  -7.100
  462   1HG   GLU  56          1HG       GLU  56  10.710  -4.709  -5.222
  463   2HG   GLU  56          2HG       GLU  56  10.514  -6.087  -4.143
  464    H    GLU  57           H        GLU  57   8.985  -5.287  -3.410
  465    HA   GLU  57           HA       GLU  57   7.961  -7.614  -2.094
  466   1HB   GLU  57          1HB       GLU  57   9.973  -6.452  -1.288
  467   2HB   GLU  57          2HB       GLU  57   8.996  -5.042  -0.897
  468   1HG   GLU  57          1HG       GLU  57   9.348  -6.214   1.124
  469   2HG   GLU  57          2HG       GLU  57   7.672  -6.501   0.651
  470    H    VAL  58           H        VAL  58   7.049  -4.173  -2.042
  471    HA   VAL  58           HA       VAL  58   4.969  -4.291  -0.233
  472    HB   VAL  58           HB       VAL  58   5.043  -2.576  -2.720
  473   1HG1  VAL  58          1HG1      VAL  58   2.857  -2.708  -1.494
  474   2HG1  VAL  58          2HG1      VAL  58   3.678  -2.020  -0.094
  475   3HG1  VAL  58          3HG1      VAL  58   3.560  -1.094  -1.590
  476   1HG2  VAL  58          1HG2      VAL  58   7.018  -2.608  -0.966
  477   2HG2  VAL  58          2HG2      VAL  58   6.428  -1.098  -1.661
  478   3HG2  VAL  58          3HG2      VAL  58   5.905  -1.591  -0.050
  479    H    PHE  59           H        PHE  59   4.876  -4.923  -3.718
  480    HA   PHE  59           HA       PHE  59   2.100  -5.309  -3.925
  481   1HB   PHE  59          1HB       PHE  59   3.522  -4.979  -5.890
  482   2HB   PHE  59          2HB       PHE  59   4.336  -6.508  -5.577
  483    HD1  PHE  59           HD1      PHE  59   0.739  -5.506  -5.666
  484    HD2  PHE  59           HD2      PHE  59   3.803  -8.029  -7.202
  485    HE1  PHE  59           HE1      PHE  59  -0.922  -6.672  -7.058
  486    HE2  PHE  59           HE2      PHE  59   2.148  -9.198  -8.597
  487    HZ   PHE  59           HZ       PHE  59  -0.219  -8.521  -8.525
  488    H    THR  60           H        THR  60   4.734  -7.462  -3.042
  489    HA   THR  60           HA       THR  60   3.185  -9.854  -3.097
  490    HB   THR  60           HB       THR  60   5.792  -9.297  -1.670
  491    HG1  THR  60           HG1      THR  60   5.344 -10.597  -4.165
  492   1HG2  THR  60          1HG2      THR  60   4.052 -11.607  -1.709
  493   2HG2  THR  60          2HG2      THR  60   5.636 -11.987  -2.387
  494   3HG2  THR  60          3HG2      THR  60   5.510 -11.317  -0.760
  495    H    GLU  61           H        GLU  61   4.381  -7.839  -0.406
  496    HA   GLU  61           HA       GLU  61   3.255  -9.297   1.673
  497   1HB   GLU  61          1HB       GLU  61   4.953  -7.423   1.825
  498   2HB   GLU  61          2HB       GLU  61   3.604  -6.305   1.678
  499   1HG   GLU  61          1HG       GLU  61   2.630  -7.130   3.715
  500   2HG   GLU  61          2HG       GLU  61   3.865  -8.382   3.838
  501    H    VAL  62           H        VAL  62   1.903  -6.577  -0.175
  502    HA   VAL  62           HA       VAL  62  -0.525  -6.413   1.268
  503    HB   VAL  62           HB       VAL  62   0.056  -5.629  -1.598
  504   1HG1  VAL  62          1HG1      VAL  62  -2.379  -5.451   0.066
  505   2HG1  VAL  62          2HG1      VAL  62  -1.958  -4.016  -0.866
  506   3HG1  VAL  62          3HG1      VAL  62  -2.205  -5.558  -1.685
  507   1HG2  VAL  62          1HG2      VAL  62   1.161  -4.563   0.626
  508   2HG2  VAL  62          2HG2      VAL  62   0.846  -3.655  -0.852
  509   3HG2  VAL  62          3HG2      VAL  62  -0.298  -3.583   0.488
  510    H    ALA  63           H        ALA  63   0.447  -8.193  -1.636
  511    HA   ALA  63           HA       ALA  63  -2.049  -9.292  -2.293
  512   1HB   ALA  63          1HB       ALA  63  -0.865 -10.840  -3.655
  513   2HB   ALA  63          2HB       ALA  63   0.608 -10.649  -2.703
  514   3HB   ALA  63          3HB       ALA  63   0.031  -9.322  -3.713
  515    H    ASN  64           H        ASN  64   0.518 -10.386  -0.144
  516    HA   ASN  64           HA       ASN  64  -0.552 -12.883   0.549
  517   1HB   ASN  64          1HB       ASN  64   1.305 -10.991   1.994
  518   2HB   ASN  64          2HB       ASN  64   0.854 -12.561   2.660
  519   2HD2  ASN  64          2HD2      ASN  64   3.257 -11.064   1.136
  520   1HD2  ASN  64          1HD2      ASN  64   3.906 -12.366   0.204
  521    H    LEU  65           H        LEU  65  -1.050  -9.655   1.866
  522    HA   LEU  65           HA       LEU  65  -2.592 -10.347   4.115
  523   1HB   LEU  65          1HB       LEU  65  -1.794  -7.990   2.704
  524   2HB   LEU  65          2HB       LEU  65  -3.509  -7.893   3.043
  525    HG   LEU  65           HG       LEU  65  -1.362  -8.348   5.111
  526   1HD1  LEU  65          1HD1      LEU  65  -1.932  -6.046   3.749
  527   2HD1  LEU  65          2HD1      LEU  65  -2.938  -5.899   5.191
  528   3HD1  LEU  65          3HD1      LEU  65  -1.196  -6.133   5.349
  529   1HD2  LEU  65          1HD2      LEU  65  -3.774  -9.247   5.452
  530   2HD2  LEU  65          2HD2      LEU  65  -3.023  -8.293   6.732
  531   3HD2  LEU  65          3HD2      LEU  65  -4.197  -7.546   5.647
  532    H    PHE  66           H        PHE  66  -3.711  -8.902   1.084
  533    HA   PHE  66           HA       PHE  66  -6.436  -9.637   1.520
  534   1HB   PHE  66          1HB       PHE  66  -5.026  -8.543  -0.920
  535   2HB   PHE  66          2HB       PHE  66  -6.768  -8.723  -0.776
  536    HD1  PHE  66           HD1      PHE  66  -6.010  -7.869   2.406
  537    HD2  PHE  66           HD2      PHE  66  -5.885  -6.169  -1.498
  538    HE1  PHE  66           HE1      PHE  66  -6.146  -5.618   3.386
  539    HE2  PHE  66           HE2      PHE  66  -6.026  -3.916  -0.520
  540    HZ   PHE  66           HZ       PHE  66  -6.156  -3.639   1.923
  541    H    ARG  67           H        ARG  67  -4.894 -11.985   1.587
  542    HA   ARG  67           HA       ARG  67  -4.761 -13.371  -0.840
  543   1HB   ARG  67          1HB       ARG  67  -3.663 -14.163   1.206
  544   2HB   ARG  67          2HB       ARG  67  -5.232 -14.464   1.942
  545   1HG   ARG  67          1HG       ARG  67  -5.705 -16.187   0.310
  546   2HG   ARG  67          2HG       ARG  67  -4.186 -15.845  -0.522
  547   1HD   ARG  67          1HD       ARG  67  -3.996 -17.815   0.910
  548   2HD   ARG  67          2HD       ARG  67  -2.936 -16.517   1.456
  549    HE   ARG  67           HE       ARG  67  -4.036 -16.588   3.440
  550   1HH1  ARG  67          1HH1      ARG  67  -6.208 -17.757   0.973
  551   2HH1  ARG  67          2HH1      ARG  67  -7.497 -18.080   2.084
  552   1HH2  ARG  67          1HH2      ARG  67  -5.725 -17.014   4.902
  553   2HH2  ARG  67          2HH2      ARG  67  -7.221 -17.660   4.317
  554    H    GLY  68           H        GLY  68  -6.259 -14.272  -2.108
  555   1HA   GLY  68          1HA       GLY  68  -8.843 -15.066  -1.066
  556   2HA   GLY  68          2HA       GLY  68  -8.280 -15.253  -2.720
  557    H    GLN  69           H        GLN  69  -8.445 -12.315  -0.738
  558    HA   GLN  69           HA       GLN  69 -10.723 -11.299  -2.183
  559   1HB   GLN  69          1HB       GLN  69  -8.930 -10.082  -0.078
  560   2HB   GLN  69          2HB       GLN  69 -10.298  -9.242  -0.792
  561   1HG   GLN  69          1HG       GLN  69 -10.939 -10.135   1.331
  562   2HG   GLN  69          2HG       GLN  69 -11.789 -11.006   0.059
  563   2HE2  GLN  69          2HE2      GLN  69  -9.890 -11.268   2.809
  564   1HE2  GLN  69          1HE2      GLN  69  -9.533 -12.955   2.716
  565    H    GLU  70           H        GLU  70  -8.899 -11.830  -4.053
  566    HA   GLU  70           HA       GLU  70  -7.011  -9.859  -4.658
  567   1HB   GLU  70          1HB       GLU  70  -8.531 -11.704  -6.501
  568   2HB   GLU  70          2HB       GLU  70  -7.114 -10.768  -6.963
  569   1HG   GLU  70          1HG       GLU  70  -5.745 -11.967  -5.400
  570   2HG   GLU  70          2HG       GLU  70  -7.154 -12.813  -4.763
  571    H    ASP  71           H        ASP  71 -10.263  -9.394  -4.432
  572    HA   ASP  71           HA       ASP  71 -10.912  -7.905  -6.721
  573   1HB   ASP  71          1HB       ASP  71 -11.960  -7.638  -3.910
  574   2HB   ASP  71          2HB       ASP  71 -12.700  -6.914  -5.331
  575    H    LEU  72           H        LEU  72  -9.656  -6.901  -3.572
  576    HA   LEU  72           HA       LEU  72  -9.437  -4.138  -4.251
  577   1HB   LEU  72          1HB       LEU  72  -8.105  -5.745  -2.067
  578   2HB   LEU  72          2HB       LEU  72  -8.105  -3.995  -2.171
  579    HG   LEU  72           HG       LEU  72 -10.614  -5.646  -1.910
  580   1HD1  LEU  72          1HD1      LEU  72  -8.733  -5.499   0.020
  581   2HD1  LEU  72          2HD1      LEU  72  -9.667  -4.043   0.371
  582   3HD1  LEU  72          3HD1      LEU  72 -10.464  -5.616   0.337
  583   1HD2  LEU  72          1HD2      LEU  72 -10.450  -3.165  -2.838
  584   2HD2  LEU  72          2HD2      LEU  72 -11.764  -3.683  -1.783
  585   3HD2  LEU  72          3HD2      LEU  72 -10.395  -2.792  -1.114
  586    H    LEU  73           H        LEU  73  -7.329  -6.923  -4.355
  587    HA   LEU  73           HA       LEU  73  -4.853  -5.792  -4.688
  588   1HB   LEU  73          1HB       LEU  73  -6.108  -8.300  -4.908
  589   2HB   LEU  73          2HB       LEU  73  -5.219  -8.063  -6.380
  590    HG   LEU  73           HG       LEU  73  -3.792  -9.244  -4.889
  591   1HD1  LEU  73          1HD1      LEU  73  -2.909  -7.131  -6.132
  592   2HD1  LEU  73          2HD1      LEU  73  -2.775  -6.467  -4.503
  593   3HD1  LEU  73          3HD1      LEU  73  -1.898  -7.937  -4.932
  594   1HD2  LEU  73          1HD2      LEU  73  -4.504  -7.119  -2.882
  595   2HD2  LEU  73          2HD2      LEU  73  -4.955  -8.823  -2.838
  596   3HD2  LEU  73          3HD2      LEU  73  -3.267  -8.351  -2.641
  597    H    SER  74           H        SER  74  -7.395  -6.395  -7.053
  598    HA   SER  74           HA       SER  74  -6.027  -5.880  -9.405
  599   1HB   SER  74          1HB       SER  74  -8.326  -6.749  -9.327
  600   2HB   SER  74          2HB       SER  74  -8.898  -5.186  -8.741
  601    HG   SER  74           HG       SER  74  -9.155  -5.454 -11.021
  602    H    GLU  75           H        GLU  75  -7.556  -3.621  -7.151
  603    HA   GLU  75           HA       GLU  75  -7.108  -1.310  -8.745
  604   1HB   GLU  75          1HB       GLU  75  -7.603  -1.566  -5.775
  605   2HB   GLU  75          2HB       GLU  75  -7.656  -0.061  -6.681
  606   1HG   GLU  75          1HG       GLU  75  -9.502  -0.956  -8.029
  607   2HG   GLU  75          2HG       GLU  75  -9.464  -2.435  -7.071
  608    H    PHE  76           H        PHE  76  -5.380  -2.739  -5.999
  609    HA   PHE  76           HA       PHE  76  -3.435  -0.777  -5.654
  610   1HB   PHE  76          1HB       PHE  76  -3.824  -2.648  -4.092
  611   2HB   PHE  76          2HB       PHE  76  -3.137  -3.763  -5.265
  612    HD1  PHE  76           HD1      PHE  76  -2.016  -0.403  -4.092
  613    HD2  PHE  76           HD2      PHE  76  -1.159  -4.561  -4.405
  614    HE1  PHE  76           HE1      PHE  76   0.217  -0.010  -3.140
  615    HE2  PHE  76           HE2      PHE  76   1.079  -4.175  -3.452
  616    HZ   PHE  76           HZ       PHE  76   1.767  -1.894  -2.816
  617    H    GLY  77           H        GLY  77  -3.399  -3.640  -7.748
  618   1HA   GLY  77          1HA       GLY  77  -2.127  -4.167  -9.580
  619   2HA   GLY  77          2HA       GLY  77  -0.794  -3.426  -8.711
  620    H    GLN  78           H        GLN  78  -3.763  -1.938  -9.963
  621    HA   GLN  78           HA       GLN  78  -2.727  -0.846 -12.301
  622   1HB   GLN  78          1HB       GLN  78  -4.872   0.270 -10.486
  623   2HB   GLN  78          2HB       GLN  78  -4.569   0.810 -12.131
  624   1HG   GLN  78          1HG       GLN  78  -5.098  -1.443 -12.950
  625   2HG   GLN  78          2HG       GLN  78  -5.450  -1.943 -11.297
  626   2HE2  GLN  78          2HE2      GLN  78  -7.521  -1.996 -10.862
  627   1HE2  GLN  78          1HE2      GLN  78  -8.733  -0.959 -11.522
  628    H    PHE  79           H        PHE  79  -2.789   0.501  -9.024
  629    HA   PHE  79           HA       PHE  79  -1.716   3.016  -9.654
  630   1HB   PHE  79          1HB       PHE  79  -1.695   1.397  -7.108
  631   2HB   PHE  79          2HB       PHE  79  -1.032   3.024  -7.202
  632    HD1  PHE  79           HD1      PHE  79  -4.103   1.724  -8.848
  633    HD2  PHE  79           HD2      PHE  79  -2.466   4.233  -5.824
  634    HE1  PHE  79           HE1      PHE  79  -6.337   2.664  -8.424
  635    HE2  PHE  79           HE2      PHE  79  -4.698   5.176  -5.395
  636    HZ   PHE  79           HZ       PHE  79  -6.636   4.393  -6.695
  637    H    LEU  80           H        LEU  80  -0.166  -0.031  -8.759
  638    HA   LEU  80           HA       LEU  80   2.469   0.955  -8.586
  639   1HB   LEU  80          1HB       LEU  80   1.489  -1.816  -9.278
  640   2HB   LEU  80          2HB       LEU  80   3.141  -1.409  -8.853
  641    HG   LEU  80           HG       LEU  80   0.758  -1.099  -7.025
  642   1HD1  LEU  80          1HD1      LEU  80   2.770  -3.264  -7.408
  643   2HD1  LEU  80          2HD1      LEU  80   2.150  -2.933  -5.791
  644   3HD1  LEU  80          3HD1      LEU  80   1.040  -3.377  -7.087
  645   1HD2  LEU  80          1HD2      LEU  80   2.823   0.450  -6.810
  646   2HD2  LEU  80          2HD2      LEU  80   2.206  -0.366  -5.372
  647   3HD2  LEU  80          3HD2      LEU  80   3.632  -0.995  -6.200
  648    HA   PRO  81           HA       PRO  81   3.350   1.561 -12.900
  649   1HB   PRO  81          1HB       PRO  81   6.010   1.935 -12.735
  650   2HB   PRO  81          2HB       PRO  81   4.858   3.135 -12.136
  651   1HG   PRO  81          1HG       PRO  81   6.406   1.071 -10.615
  652   2HG   PRO  81          2HG       PRO  81   6.115   2.773 -10.211
  653   1HD   PRO  81          1HD       PRO  81   4.699   0.710  -9.126
  654   2HD   PRO  81          2HD       PRO  81   4.033   2.340  -9.348
  655    H    GLU  82           H        GLU  82   2.943  -1.135 -12.282
  656    HA   GLU  82           HA       GLU  82   5.127  -2.823 -12.764
  657   1HB   GLU  82          1HB       GLU  82   3.018  -3.636 -11.841
  658   2HB   GLU  82          2HB       GLU  82   2.195  -3.268 -13.350
  659   1HG   GLU  82          1HG       GLU  82   3.591  -4.922 -14.502
  660   2HG   GLU  82          2HG       GLU  82   4.381  -5.305 -12.974
  661    H    ALA  83           H        ALA  83   2.754  -1.411 -14.989
  662    HA   ALA  83           HA       ALA  83   2.796  -1.049 -17.235
  663   1HB   ALA  83          1HB       ALA  83   5.349  -0.554 -16.463
  664   2HB   ALA  83          2HB       ALA  83   4.739  -0.334 -18.103
  665   3HB   ALA  83          3HB       ALA  83   5.595  -1.815 -17.670
  666    H    LYS  84           H        LYS  84   2.413  -2.218 -19.099
  667    HA   LYS  84           HA       LYS  84   3.430  -4.899 -19.400
  668   1HB   LYS  84          1HB       LYS  84   1.279  -6.025 -19.420
  669   2HB   LYS  84          2HB       LYS  84   1.545  -5.265 -17.859
  670   1HG   LYS  84          1HG       LYS  84  -0.112  -4.027 -20.043
  671   2HG   LYS  84          2HG       LYS  84  -0.775  -5.063 -18.780
  672   1HD   LYS  84          1HD       LYS  84   0.747  -2.504 -18.290
  673   2HD   LYS  84          2HD       LYS  84  -1.012  -2.647 -18.291
  674   1HE   LYS  84          1HE       LYS  84   0.876  -4.106 -16.444
  675   2HE   LYS  84          2HE       LYS  84  -0.092  -2.697 -16.018
  676   1HZ   LYS  84          1HZ       LYS  84  -2.089  -4.025 -16.545
  677   2HZ   LYS  84          2HZ       LYS  84  -1.106  -5.379 -16.788
  678   3HZ   LYS  84          3HZ       LYS  84  -1.194  -4.663 -15.260
  679    H    ARG  85           H        ARG  85   3.306  -5.657 -21.472
  680    HA   ARG  85           HA       ARG  85   1.601  -4.595 -23.475
  681   1HB   ARG  85          1HB       ARG  85   3.173  -2.674 -23.170
  682   2HB   ARG  85          2HB       ARG  85   4.497  -3.730 -23.634
  683   1HG   ARG  85          1HG       ARG  85   2.148  -3.229 -25.437
  684   2HG   ARG  85          2HG       ARG  85   3.562  -2.176 -25.412
  685   1HD   ARG  85          1HD       ARG  85   4.990  -4.068 -25.992
  686   2HD   ARG  85          2HD       ARG  85   3.592  -5.140 -25.980
  687    HE   ARG  85           HE       ARG  85   3.198  -4.486 -28.117
  688   1HH1  ARG  85          1HH1      ARG  85   4.914  -1.906 -26.514
  689   2HH1  ARG  85          2HH1      ARG  85   4.980  -0.904 -27.926
  690   1HH2  ARG  85          1HH2      ARG  85   3.281  -3.173 -29.972
  691   2HH2  ARG  85          2HH2      ARG  85   4.049  -1.623 -29.890
  692    H1   ASN   1           H1       ASN   1   5.143   7.956  -6.316
  693    H2   ASN   1           H2       ASN   1   4.527   8.079  -7.887
  694    H3   ASN   1           H3       ASN   1   3.703   8.798  -6.598
  695    HA   ASN   1           HA       ASN   1   2.450   6.951  -6.802
  696   1HB   ASN   1          1HB       ASN   1   3.368   4.781  -7.578
  697   2HB   ASN   1          2HB       ASN   1   3.649   6.087  -8.721
  698   2HD2  ASN   1          2HD2      ASN   1   5.746   6.715  -6.314
  699   1HD2  ASN   1          1HD2      ASN   1   7.126   5.850  -6.881
  700    H    ILE   2           H        ILE   2   1.877   5.374  -5.303
  701    HA   ILE   2           HA       ILE   2   1.863   4.213  -3.366
  702    HB   ILE   2           HB       ILE   2   4.831   4.587  -3.564
  703   1HG1  ILE   2          1HG1      ILE   2   3.900   3.056  -5.182
  704   2HG1  ILE   2          2HG1      ILE   2   4.766   2.134  -3.962
  705   1HG2  ILE   2          1HG2      ILE   2   4.127   4.494  -1.178
  706   2HG2  ILE   2          2HG2      ILE   2   3.397   2.920  -1.502
  707   3HG2  ILE   2          3HG2      ILE   2   5.139   3.138  -1.674
  708   1HD1  ILE   2          1HD1      ILE   2   2.050   2.376  -3.157
  709   2HD1  ILE   2          2HD1      ILE   2   2.106   1.822  -4.829
  710   3HD1  ILE   2          3HD1      ILE   2   2.960   0.925  -3.574
  711    H    GLN   3           H        GLN   3   3.810   7.178  -3.338
  712    HA   GLN   3           HA       GLN   3   3.708   7.720  -0.606
  713   1HB   GLN   3          1HB       GLN   3   4.173  10.007  -1.152
  714   2HB   GLN   3          2HB       GLN   3   5.038   8.999  -2.304
  715   1HG   GLN   3          1HG       GLN   3   3.666   9.580  -4.057
  716   2HG   GLN   3          2HG       GLN   3   2.333  10.038  -2.997
  717   2HE2  GLN   3          2HE2      GLN   3   2.018  12.109  -2.675
  718   1HE2  GLN   3          1HE2      GLN   3   3.165  13.371  -2.966
  719    H    MET   4           H        MET   4   1.368   8.257  -3.157
  720    HA   MET   4           HA       MET   4  -0.424   9.891  -1.744
  721   1HB   MET   4          1HB       MET   4  -2.100   9.064  -3.443
  722   2HB   MET   4          2HB       MET   4  -0.637   9.787  -4.100
  723   1HG   MET   4          1HG       MET   4   0.282   7.520  -4.436
  724   2HG   MET   4          2HG       MET   4  -1.252   6.850  -3.884
  725   1HE   MET   4          1HE       MET   4   0.189   6.163  -6.595
  726   2HE   MET   4          2HE       MET   4  -1.381   5.441  -6.247
  727   3HE   MET   4          3HE       MET   4  -1.098   6.230  -7.799
  728    H    LEU   5           H        LEU   5  -0.342   6.346  -2.130
  729    HA   LEU   5           HA       LEU   5  -2.682   5.894  -0.572
  730   1HB   LEU   5          1HB       LEU   5  -0.391   4.052  -1.280
  731   2HB   LEU   5          2HB       LEU   5  -1.850   3.535  -0.459
  732    HG   LEU   5           HG       LEU   5  -1.717   4.676  -3.252
  733   1HD1  LEU   5          1HD1      LEU   5  -1.048   2.153  -2.433
  734   2HD1  LEU   5          2HD1      LEU   5  -2.754   1.979  -2.845
  735   3HD1  LEU   5          3HD1      LEU   5  -1.614   2.589  -4.045
  736   1HD2  LEU   5          1HD2      LEU   5  -3.881   4.507  -1.405
  737   2HD2  LEU   5          2HD2      LEU   5  -3.893   5.067  -3.077
  738   3HD2  LEU   5          3HD2      LEU   5  -4.161   3.362  -2.718
  739    H    LEU   6           H        LEU   6   0.767   5.836   0.119
  740    HA   LEU   6           HA       LEU   6   0.664   4.982   2.786
  741   1HB   LEU   6          1HB       LEU   6   2.701   5.041   1.417
  742   2HB   LEU   6          2HB       LEU   6   2.645   6.791   1.396
  743    HG   LEU   6           HG       LEU   6   2.958   6.756   3.887
  744   1HD1  LEU   6          1HD1      LEU   6   2.565   3.964   3.483
  745   2HD1  LEU   6          2HD1      LEU   6   4.192   4.223   4.116
  746   3HD1  LEU   6          3HD1      LEU   6   2.794   4.843   4.996
  747   1HD2  LEU   6          1HD2      LEU   6   4.974   5.746   1.929
  748   2HD2  LEU   6          2HD2      LEU   6   4.878   7.311   2.741
  749   3HD2  LEU   6          3HD2      LEU   6   5.400   5.883   3.637
  750    H    GLU   7           H        GLU   7   0.620   8.216   1.362
  751    HA   GLU   7           HA       GLU   7   0.486   9.596   3.857
  752   1HB   GLU   7          1HB       GLU   7   1.413  10.674   1.867
  753   2HB   GLU   7          2HB       GLU   7  -0.133  10.532   1.045
  754   1HG   GLU   7          1HG       GLU   7  -1.146  12.027   2.691
  755   2HG   GLU   7          2HG       GLU   7   0.408  12.169   3.513
  756    H    ALA   8           H        ALA   8  -1.836   8.417   1.518
  757    HA   ALA   8           HA       ALA   8  -4.135   9.755   2.289
  758   1HB   ALA   8          1HB       ALA   8  -3.965   8.283   0.323
  759   2HB   ALA   8          2HB       ALA   8  -5.372   7.909   1.318
  760   3HB   ALA   8          3HB       ALA   8  -3.941   6.880   1.393
  761    H    ALA   9           H        ALA   9  -2.644   6.879   3.684
  762    HA   ALA   9           HA       ALA   9  -4.683   6.148   5.445
  763   1HB   ALA   9          1HB       ALA   9  -1.897   5.494   5.035
  764   2HB   ALA   9          2HB       ALA   9  -3.213   4.490   5.646
  765   3HB   ALA   9          3HB       ALA   9  -2.307   5.524   6.751
  766    H    ASP  10           H        ASP  10  -1.975   8.405   5.881
  767    HA   ASP  10           HA       ASP  10  -2.383   8.958   8.601
  768   1HB   ASP  10          1HB       ASP  10  -0.338   9.580   7.372
  769   2HB   ASP  10          2HB       ASP  10  -1.251  10.778   6.462
  770    H    TYR  11           H        TYR  11  -3.520  10.705   5.721
  771    HA   TYR  11           HA       TYR  11  -4.961  12.718   7.025
  772   1HB   TYR  11          1HB       TYR  11  -4.547  12.977   4.703
  773   2HB   TYR  11          2HB       TYR  11  -5.260  11.413   4.323
  774    HD1  TYR  11           HD1      TYR  11  -6.057  14.842   5.479
  775    HD2  TYR  11           HD2      TYR  11  -7.570  11.210   3.841
  776    HE1  TYR  11           HE1      TYR  11  -8.215  15.936   5.060
  777    HE2  TYR  11           HE2      TYR  11  -9.727  12.305   3.407
  778    HH   TYR  11           HH       TYR  11 -10.429  14.926   3.024
  779    H    LEU  12           H        LEU  12  -6.186   9.765   5.524
  780    HA   LEU  12           HA       LEU  12  -8.825   9.956   6.306
  781   1HB   LEU  12          1HB       LEU  12  -7.775   8.398   4.639
  782   2HB   LEU  12          2HB       LEU  12  -7.269   7.399   5.989
  783    HG   LEU  12           HG       LEU  12  -9.670   7.122   6.612
  784   1HD1  LEU  12          1HD1      LEU  12  -9.963   9.126   4.558
  785   2HD1  LEU  12          2HD1      LEU  12 -10.938   7.699   4.197
  786   3HD1  LEU  12          3HD1      LEU  12 -11.141   8.539   5.735
  787   1HD2  LEU  12          1HD2      LEU  12  -8.171   5.809   4.731
  788   2HD2  LEU  12          2HD2      LEU  12  -9.725   5.264   5.367
  789   3HD2  LEU  12          3HD2      LEU  12  -9.660   6.166   3.852
  790    H    GLU  13           H        GLU  13  -6.089   8.547   8.047
  791    HA   GLU  13           HA       GLU  13  -7.521   7.315  10.115
  792   1HB   GLU  13          1HB       GLU  13  -5.130   6.916   9.716
  793   2HB   GLU  13          2HB       GLU  13  -4.767   8.562  10.215
  794   1HG   GLU  13          1HG       GLU  13  -5.602   8.066  12.457
  795   2HG   GLU  13          2HG       GLU  13  -5.955   6.413  11.955

  No H/Q in entry =         795
  Start of MODEL   19
    1    H1   GLU   1           H1       GLU   1  -6.988  23.928  -5.443
    2    H2   GLU   1           H2       GLU   1  -7.148  24.014  -7.125
    3    H3   GLU   1           H3       GLU   1  -7.270  22.521  -6.339
    4    HA   GLU   1           HA       GLU   1  -5.142  22.689  -7.401
    5   1HB   GLU   1          1HB       GLU   1  -3.575  24.464  -6.707
    6   2HB   GLU   1          2HB       GLU   1  -5.014  25.119  -7.474
    7   1HG   GLU   1          1HG       GLU   1  -4.736  24.937  -4.493
    8   2HG   GLU   1          2HG       GLU   1  -4.131  26.311  -5.415
    9    H    SER   2           H        SER   2  -6.345  21.256  -5.306
   10    HA   SER   2           HA       SER   2  -4.020  20.357  -3.904
   11   1HB   SER   2          1HB       SER   2  -6.239  21.652  -2.299
   12   2HB   SER   2          2HB       SER   2  -4.919  20.706  -1.615
   13    HG   SER   2           HG       SER   2  -3.501  22.272  -2.146
   14    H    ASP   3           H        ASP   3  -7.555  20.333  -4.061
   15    HA   ASP   3           HA       ASP   3  -7.757  17.641  -3.078
   16   1HB   ASP   3          1HB       ASP   3 -10.161  17.883  -3.588
   17   2HB   ASP   3          2HB       ASP   3  -9.549  19.228  -2.631
   18    H    SER   4           H        SER   4  -6.016  17.493  -5.148
   19    HA   SER   4           HA       SER   4  -6.980  17.090  -7.689
   20   1HB   SER   4          1HB       SER   4  -5.007  15.316  -7.652
   21   2HB   SER   4          2HB       SER   4  -4.711  17.042  -7.675
   22    HG   SER   4           HG       SER   4  -4.586  16.900  -5.346
   23    H    VAL   5           H        VAL   5  -7.713  15.413  -8.824
   24    HA   VAL   5           HA       VAL   5  -9.479  13.613  -7.662
   25    HB   VAL   5           HB       VAL   5  -8.056  13.522 -10.321
   26   1HG1  VAL   5          1HG1      VAL   5  -8.961  11.282  -9.391
   27   2HG1  VAL   5          2HG1      VAL   5 -10.553  11.976  -9.702
   28   3HG1  VAL   5          3HG1      VAL   5  -9.412  11.759 -11.029
   29   1HG2  VAL   5          1HG2      VAL   5 -10.753  14.514  -9.435
   30   2HG2  VAL   5          2HG2      VAL   5  -9.458  15.418 -10.217
   31   3HG2  VAL   5          3HG2      VAL   5 -10.359  14.205 -11.126
   32    H    GLU   6           H        GLU   6  -6.108  13.239  -8.620
   33    HA   GLU   6           HA       GLU   6  -5.852  10.480  -8.231
   34   1HB   GLU   6          1HB       GLU   6  -3.749  12.617  -7.877
   35   2HB   GLU   6          2HB       GLU   6  -3.446  10.899  -8.089
   36   1HG   GLU   6          1HG       GLU   6  -4.433  10.990 -10.314
   37   2HG   GLU   6          2HG       GLU   6  -4.755  12.710 -10.103
   38    H    PHE   7           H        PHE   7  -5.439  13.174  -5.966
   39    HA   PHE   7           HA       PHE   7  -4.409  11.691  -3.820
   40   1HB   PHE   7          1HB       PHE   7  -4.405  14.165  -3.909
   41   2HB   PHE   7          2HB       PHE   7  -6.151  14.164  -3.692
   42    HD1  PHE   7           HD1      PHE   7  -3.588  12.080  -1.980
   43    HD2  PHE   7           HD2      PHE   7  -6.473  15.194  -1.638
   44    HE1  PHE   7           HE1      PHE   7  -3.282  12.091   0.459
   45    HE2  PHE   7           HE2      PHE   7  -6.171  15.207   0.805
   46    HZ   PHE   7           HZ       PHE   7  -4.574  13.655   1.856
   47    H    ASN   8           H        ASN   8  -7.785  12.699  -4.436
   48    HA   ASN   8           HA       ASN   8  -8.890  11.212  -2.306
   49   1HB   ASN   8          1HB       ASN   8 -10.381  12.797  -3.019
   50   2HB   ASN   8          2HB       ASN   8  -9.886  12.659  -4.702
   51   2HD2  ASN   8          2HD2      ASN   8 -11.274  11.796  -6.002
   52   1HD2  ASN   8          1HD2      ASN   8 -12.536  10.708  -5.574
   53    H    ASN   9           H        ASN   9  -8.055  10.541  -5.586
   54    HA   ASN   9           HA       ASN   9  -9.413   8.181  -6.117
   55   1HB   ASN   9          1HB       ASN   9  -7.955   9.576  -7.664
   56   2HB   ASN   9          2HB       ASN   9  -6.567   8.791  -6.942
   57   2HD2  ASN   9          2HD2      ASN   9  -7.946   8.864  -9.618
   58   1HD2  ASN   9          1HD2      ASN   9  -7.975   7.212 -10.080
   59    H    ALA  10           H        ALA  10  -6.329   8.744  -4.497
   60    HA   ALA  10           HA       ALA  10  -5.769   5.995  -3.979
   61   1HB   ALA  10          1HB       ALA  10  -4.276   7.396  -2.164
   62   2HB   ALA  10          2HB       ALA  10  -3.789   7.028  -3.818
   63   3HB   ALA  10          3HB       ALA  10  -4.526   8.587  -3.442
   64    H    ILE  11           H        ILE  11  -7.093   8.673  -2.070
   65    HA   ILE  11           HA       ILE  11  -7.231   7.522   0.427
   66    HB   ILE  11           HB       ILE  11  -9.345   9.285  -0.813
   67   1HG1  ILE  11          1HG1      ILE  11  -7.120  10.302  -0.931
   68   2HG1  ILE  11          2HG1      ILE  11  -8.135  11.147   0.225
   69   1HG2  ILE  11          1HG2      ILE  11 -10.115   8.178   1.206
   70   2HG2  ILE  11          2HG2      ILE  11  -8.679   8.729   2.070
   71   3HG2  ILE  11          3HG2      ILE  11  -9.866   9.902   1.499
   72   1HD1  ILE  11          1HD1      ILE  11  -6.568   9.043   1.459
   73   2HD1  ILE  11          2HD1      ILE  11  -5.572  10.252   0.646
   74   3HD1  ILE  11          3HD1      ILE  11  -6.722  10.747   1.888
   75    H    SER  12           H        SER  12  -9.648   7.318  -2.171
   76    HA   SER  12           HA       SER  12 -11.565   5.850  -0.814
   77   1HB   SER  12          1HB       SER  12 -12.367   5.137  -3.036
   78   2HB   SER  12          2HB       SER  12 -11.971   6.855  -3.014
   79    HG   SER  12           HG       SER  12 -11.071   5.078  -4.684
   80    H    TYR  13           H        TYR  13  -8.624   4.738  -2.433
   81    HA   TYR  13           HA       TYR  13  -9.212   1.986  -2.381
   82   1HB   TYR  13          1HB       TYR  13  -7.328   2.968  -3.672
   83   2HB   TYR  13          2HB       TYR  13  -6.490   3.295  -2.160
   84    HD1  TYR  13           HD1      TYR  13  -8.331   0.315  -3.469
   85    HD2  TYR  13           HD2      TYR  13  -4.685   1.869  -1.920
   86    HE1  TYR  13           HE1      TYR  13  -7.357  -1.941  -3.515
   87    HE2  TYR  13           HE2      TYR  13  -3.701  -0.383  -1.961
   88    HH   TYR  13           HH       TYR  13  -5.560  -3.178  -3.137
   89    H    VAL  14           H        VAL  14  -7.441   4.052  -0.113
   90    HA   VAL  14           HA       VAL  14  -6.930   2.037   1.811
   91    HB   VAL  14           HB       VAL  14  -7.171   5.007   2.313
   92   1HG1  VAL  14          1HG1      VAL  14  -6.760   2.936   4.085
   93   2HG1  VAL  14          2HG1      VAL  14  -5.128   3.509   3.746
   94   3HG1  VAL  14          3HG1      VAL  14  -6.346   4.629   4.354
   95   1HG2  VAL  14          1HG2      VAL  14  -5.580   3.992   0.410
   96   2HG2  VAL  14          2HG2      VAL  14  -5.128   5.381   1.402
   97   3HG2  VAL  14          3HG2      VAL  14  -4.529   3.773   1.810
   98    H    ASN  15           H        ASN  15  -9.538   4.329   1.356
   99    HA   ASN  15           HA       ASN  15 -10.861   3.952   3.810
  100   1HB   ASN  15          1HB       ASN  15 -11.272   5.880   2.366
  101   2HB   ASN  15          2HB       ASN  15 -11.936   4.836   1.126
  102   2HD2  ASN  15          2HD2      ASN  15 -12.730   6.916   3.491
  103   1HD2  ASN  15          1HD2      ASN  15 -14.321   6.360   3.867
  104    H    LYS  16           H        LYS  16 -11.290   2.410   0.639
  105    HA   LYS  16           HA       LYS  16 -13.504   0.818   1.398
  106   1HB   LYS  16          1HB       LYS  16 -12.918   1.319  -0.957
  107   2HB   LYS  16          2HB       LYS  16 -11.481   0.319  -0.798
  108   1HG   LYS  16          1HG       LYS  16 -12.908  -1.632  -0.355
  109   2HG   LYS  16          2HG       LYS  16 -14.334  -0.622  -0.582
  110   1HD   LYS  16          1HD       LYS  16 -13.498  -0.088  -2.869
  111   2HD   LYS  16          2HD       LYS  16 -12.244  -1.308  -2.626
  112   1HE   LYS  16          1HE       LYS  16 -14.213  -2.165  -3.829
  113   2HE   LYS  16          2HE       LYS  16 -13.904  -3.025  -2.327
  114   1HZ   LYS  16          1HZ       LYS  16 -15.763  -0.757  -2.305
  115   2HZ   LYS  16          2HZ       LYS  16 -16.294  -2.226  -2.954
  116   3HZ   LYS  16          3HZ       LYS  16 -15.758  -2.154  -1.350
  117    H    ILE  17           H        ILE  17 -10.019   0.272   1.392
  118    HA   ILE  17           HA       ILE  17 -10.039  -2.460   2.024
  119    HB   ILE  17           HB       ILE  17  -8.010  -0.310   2.629
  120   1HG1  ILE  17          1HG1      ILE  17  -8.042  -2.529   0.572
  121   2HG1  ILE  17          2HG1      ILE  17  -8.429  -0.843   0.247
  122   1HG2  ILE  17          1HG2      ILE  17  -8.098  -2.555   4.070
  123   2HG2  ILE  17          2HG2      ILE  17  -7.207  -3.157   2.672
  124   3HG2  ILE  17          3HG2      ILE  17  -6.585  -1.786   3.589
  125   1HD1  ILE  17          1HD1      ILE  17  -5.784  -1.617   1.404
  126   2HD1  ILE  17          2HD1      ILE  17  -6.088  -1.701  -0.331
  127   3HD1  ILE  17          3HD1      ILE  17  -6.228  -0.159   0.514
  128    H    LYS  18           H        LYS  18 -10.046   0.415   4.075
  129    HA   LYS  18           HA       LYS  18  -9.860  -0.919   6.556
  130   1HB   LYS  18          1HB       LYS  18  -9.412   1.485   6.221
  131   2HB   LYS  18          2HB       LYS  18 -11.112   1.760   5.914
  132   1HG   LYS  18          1HG       LYS  18 -11.661   1.083   8.174
  133   2HG   LYS  18          2HG       LYS  18  -9.963   0.721   8.495
  134   1HD   LYS  18          1HD       LYS  18 -10.572   2.901   9.405
  135   2HD   LYS  18          2HD       LYS  18  -9.391   3.063   8.103
  136   1HE   LYS  18          1HE       LYS  18 -11.162   3.650   6.546
  137   2HE   LYS  18          2HE       LYS  18 -12.365   3.458   7.821
  138   1HZ   LYS  18          1HZ       LYS  18 -10.426   5.217   8.765
  139   2HZ   LYS  18          2HZ       LYS  18 -10.815   5.720   7.198
  140   3HZ   LYS  18          3HZ       LYS  18 -12.033   5.564   8.361
  141    H    THR  19           H        THR  19 -12.645   0.503   4.893
  142    HA   THR  19           HA       THR  19 -14.610  -0.364   6.690
  143    HB   THR  19           HB       THR  19 -14.970   1.364   4.921
  144    HG1  THR  19           HG1      THR  19 -17.001   0.933   5.300
  145   1HG2  THR  19          1HG2      THR  19 -15.106  -1.047   3.112
  146   2HG2  THR  19          2HG2      THR  19 -15.642   0.574   2.670
  147   3HG2  THR  19          3HG2      THR  19 -13.940   0.274   3.028
  148    H    ARG  20           H        ARG  20 -13.010  -2.027   4.081
  149    HA   ARG  20           HA       ARG  20 -14.865  -4.126   3.743
  150   1HB   ARG  20          1HB       ARG  20 -13.222  -3.765   2.047
  151   2HB   ARG  20          2HB       ARG  20 -11.902  -3.933   3.201
  152   1HG   ARG  20          1HG       ARG  20 -12.148  -5.896   1.751
  153   2HG   ARG  20          2HG       ARG  20 -12.372  -6.286   3.456
  154   1HD   ARG  20          1HD       ARG  20 -14.041  -7.421   2.124
  155   2HD   ARG  20          2HD       ARG  20 -14.803  -6.197   3.139
  156    HE   ARG  20           HE       ARG  20 -15.588  -5.252   1.228
  157   1HH1  ARG  20          1HH1      ARG  20 -12.661  -6.977   0.450
  158   2HH1  ARG  20          2HH1      ARG  20 -12.721  -6.577  -1.234
  159   1HH2  ARG  20          1HH2      ARG  20 -15.673  -4.719  -0.985
  160   2HH2  ARG  20          2HH2      ARG  20 -14.433  -5.294  -2.050
  161    H    PHE  21           H        PHE  21 -11.774  -4.087   5.518
  162    HA   PHE  21           HA       PHE  21 -12.578  -6.506   6.928
  163   1HB   PHE  21          1HB       PHE  21  -9.949  -5.017   6.959
  164   2HB   PHE  21          2HB       PHE  21 -10.263  -6.553   7.753
  165    HD1  PHE  21           HD1      PHE  21 -10.049  -4.898   4.452
  166    HD2  PHE  21           HD2      PHE  21 -10.088  -8.579   6.588
  167    HE1  PHE  21           HE1      PHE  21  -9.366  -6.090   2.409
  168    HE2  PHE  21           HE2      PHE  21  -9.394  -9.775   4.559
  169    HZ   PHE  21           HZ       PHE  21  -9.036  -8.531   2.461
  170    H    LEU  22           H        LEU  22 -14.103  -4.288   7.696
  171    HA   LEU  22           HA       LEU  22 -13.160  -2.831   9.873
  172   1HB   LEU  22          1HB       LEU  22 -15.924  -3.824   9.218
  173   2HB   LEU  22          2HB       LEU  22 -15.596  -2.791  10.594
  174    HG   LEU  22           HG       LEU  22 -15.071  -2.072   7.710
  175   1HD1  LEU  22          1HD1      LEU  22 -17.493  -2.246   8.566
  176   2HD1  LEU  22          2HD1      LEU  22 -17.105  -0.802   9.501
  177   3HD1  LEU  22          3HD1      LEU  22 -16.993  -0.769   7.741
  178   1HD2  LEU  22          1HD2      LEU  22 -13.515  -1.046   9.354
  179   2HD2  LEU  22          2HD2      LEU  22 -14.534   0.125   8.516
  180   3HD2  LEU  22          3HD2      LEU  22 -14.908  -0.344  10.174
  181    H    ASP  23           H        ASP  23 -14.383  -6.110   9.709
  182    HA   ASP  23           HA       ASP  23 -14.528  -6.495  12.537
  183   1HB   ASP  23          1HB       ASP  23 -15.888  -7.809  10.960
  184   2HB   ASP  23          2HB       ASP  23 -14.422  -8.539  10.315
  185    H    HIS  24           H        HIS  24 -12.152  -7.171  10.017
  186    HA   HIS  24           HA       HIS  24 -10.274  -8.162  12.028
  187   1HB   HIS  24          1HB       HIS  24 -10.326  -8.404   9.021
  188   2HB   HIS  24          2HB       HIS  24  -9.015  -8.970  10.034
  189    HD1  HIS  24           HD1      HIS  24 -10.004 -10.698  12.048
  190    HD2  HIS  24           HD2      HIS  24 -12.059 -10.379   8.452
  191    HE1  HIS  24           HE1      HIS  24 -11.418 -12.770  11.899
  192    HE2  HIS  24           HE2      HIS  24 -12.568 -12.608   9.664
  193    HA   PRO  25           HA       PRO  25  -8.882  -3.772  11.177
  194   1HB   PRO  25          1HB       PRO  25  -7.725  -3.536  13.644
  195   2HB   PRO  25          2HB       PRO  25  -9.384  -3.064  13.277
  196   1HG   PRO  25          1HG       PRO  25  -8.366  -5.590  14.522
  197   2HG   PRO  25          2HG       PRO  25  -9.778  -4.612  14.968
  198   1HD   PRO  25          1HD       PRO  25 -10.062  -6.861  13.557
  199   2HD   PRO  25          2HD       PRO  25 -11.056  -5.433  13.205
  200    H    GLU  26           H        GLU  26  -7.279  -6.591  12.531
  201    HA   GLU  26           HA       GLU  26  -4.632  -5.807  12.429
  202   1HB   GLU  26          1HB       GLU  26  -4.085  -8.195  12.178
  203   2HB   GLU  26          2HB       GLU  26  -5.318  -7.927  13.401
  204   1HG   GLU  26          1HG       GLU  26  -7.045  -8.599  11.809
  205   2HG   GLU  26          2HG       GLU  26  -5.808  -8.867  10.583
  206    H    ILE  27           H        ILE  27  -6.751  -6.801   9.820
  207    HA   ILE  27           HA       ILE  27  -4.794  -7.170   7.817
  208    HB   ILE  27           HB       ILE  27  -7.550  -6.119   7.252
  209   1HG1  ILE  27          1HG1      ILE  27  -7.629  -7.949   8.989
  210   2HG1  ILE  27          2HG1      ILE  27  -8.501  -8.289   7.504
  211   1HG2  ILE  27          1HG2      ILE  27  -5.402  -7.377   5.752
  212   2HG2  ILE  27          2HG2      ILE  27  -6.954  -8.182   5.523
  213   3HG2  ILE  27          3HG2      ILE  27  -6.797  -6.459   5.181
  214   1HD1  ILE  27          1HD1      ILE  27  -5.703  -9.247   7.776
  215   2HD1  ILE  27          2HD1      ILE  27  -6.999 -10.091   8.627
  216   3HD1  ILE  27          3HD1      ILE  27  -7.056  -9.934   6.871
  217    H    TYR  28           H        TYR  28  -6.812  -4.382   8.679
  218    HA   TYR  28           HA       TYR  28  -5.918  -2.570   6.749
  219   1HB   TYR  28          1HB       TYR  28  -7.858  -2.311   8.364
  220   2HB   TYR  28          2HB       TYR  28  -6.683  -1.887   9.592
  221    HD1  TYR  28           HD1      TYR  28  -6.858  -0.867   6.004
  222    HD2  TYR  28           HD2      TYR  28  -7.042   0.347  10.078
  223    HE1  TYR  28           HE1      TYR  28  -6.959   1.487   5.294
  224    HE2  TYR  28           HE2      TYR  28  -7.145   2.704   9.376
  225    HH   TYR  28           HH       TYR  28  -7.627   4.058   7.531
  226    H    ARG  29           H        ARG  29  -4.939  -2.879  10.120
  227    HA   ARG  29           HA       ARG  29  -2.876  -1.068  10.228
  228   1HB   ARG  29          1HB       ARG  29  -3.187  -3.734  11.604
  229   2HB   ARG  29          2HB       ARG  29  -1.936  -2.580  12.021
  230   1HG   ARG  29          1HG       ARG  29  -4.833  -1.822  12.059
  231   2HG   ARG  29          2HG       ARG  29  -4.071  -2.625  13.431
  232   1HD   ARG  29          1HD       ARG  29  -4.064  -0.225  13.757
  233   2HD   ARG  29          2HD       ARG  29  -2.417  -0.814  13.554
  234    HE   ARG  29           HE       ARG  29  -3.377   0.001  11.056
  235   1HH1  ARG  29          1HH1      ARG  29  -2.525   1.377  14.144
  236   2HH1  ARG  29          2HH1      ARG  29  -2.051   2.903  13.477
  237   1HH2  ARG  29          1HH2      ARG  29  -2.749   2.005  10.173
  238   2HH2  ARG  29          2HH2      ARG  29  -2.176   3.260  11.220
  239    H    SER  30           H        SER  30  -2.563  -4.543   9.524
  240    HA   SER  30           HA       SER  30   0.158  -4.639   9.048
  241   1HB   SER  30          1HB       SER  30  -2.035  -6.253   7.728
  242   2HB   SER  30          2HB       SER  30  -0.319  -6.660   7.682
  243    HG   SER  30           HG       SER  30  -0.351  -6.971   9.888
  244    H    PHE  31           H        PHE  31  -2.421  -4.133   6.629
  245    HA   PHE  31           HA       PHE  31  -0.842  -3.892   4.370
  246   1HB   PHE  31          1HB       PHE  31  -3.218  -3.981   4.119
  247   2HB   PHE  31          2HB       PHE  31  -3.441  -2.533   5.097
  248    HD1  PHE  31           HD1      PHE  31  -1.555  -3.540   2.031
  249    HD2  PHE  31           HD2      PHE  31  -3.991  -0.631   3.958
  250    HE1  PHE  31           HE1      PHE  31  -1.504  -2.152  -0.002
  251    HE2  PHE  31           HE2      PHE  31  -3.947   0.758   1.929
  252    HZ   PHE  31           HZ       PHE  31  -2.702  -0.001  -0.054
  253    H    LEU  32           H        LEU  32  -1.919  -1.299   6.555
  254    HA   LEU  32           HA       LEU  32  -0.597   0.795   5.254
  255   1HB   LEU  32          1HB       LEU  32  -1.192   0.574   8.203
  256   2HB   LEU  32          2HB       LEU  32  -0.897   2.052   7.311
  257    HG   LEU  32           HG       LEU  32  -3.287   0.228   7.080
  258   1HD1  LEU  32          1HD1      LEU  32  -2.755   2.885   8.290
  259   2HD1  LEU  32          2HD1      LEU  32  -4.324   2.613   7.531
  260   3HD1  LEU  32          3HD1      LEU  32  -3.788   1.571   8.848
  261   1HD2  LEU  32          1HD2      LEU  32  -2.452   2.558   5.376
  262   2HD2  LEU  32          2HD2      LEU  32  -2.799   0.908   4.864
  263   3HD2  LEU  32          3HD2      LEU  32  -4.104   1.944   5.441
  264    H    GLU  33           H        GLU  33   0.477  -1.498   7.687
  265    HA   GLU  33           HA       GLU  33   2.978  -0.275   8.236
  266   1HB   GLU  33          1HB       GLU  33   2.091  -3.158   8.498
  267   2HB   GLU  33          2HB       GLU  33   3.613  -2.529   9.111
  268   1HG   GLU  33          1HG       GLU  33   0.883  -1.600   9.971
  269   2HG   GLU  33          2HG       GLU  33   1.897  -2.743  10.849
  270    H    ILE  34           H        ILE  34   1.802  -2.429   5.747
  271    HA   ILE  34           HA       ILE  34   4.254  -3.350   4.732
  272    HB   ILE  34           HB       ILE  34   1.632  -2.864   3.337
  273   1HG1  ILE  34          1HG1      ILE  34   2.924  -5.392   4.379
  274   2HG1  ILE  34          2HG1      ILE  34   1.623  -4.515   5.178
  275   1HG2  ILE  34          1HG2      ILE  34   4.092  -4.314   2.369
  276   2HG2  ILE  34          2HG2      ILE  34   2.512  -4.374   1.585
  277   3HG2  ILE  34          3HG2      ILE  34   3.390  -2.847   1.687
  278   1HD1  ILE  34          1HD1      ILE  34   0.245  -4.899   3.140
  279   2HD1  ILE  34          2HD1      ILE  34   1.523  -5.963   2.560
  280   3HD1  ILE  34          3HD1      ILE  34   0.663  -6.348   4.051
  281    H    LEU  35           H        LEU  35   2.181  -0.684   3.585
  282    HA   LEU  35           HA       LEU  35   4.011   0.347   1.712
  283   1HB   LEU  35          1HB       LEU  35   1.856   1.796   3.267
  284   2HB   LEU  35          2HB       LEU  35   2.661   2.413   1.832
  285    HG   LEU  35           HG       LEU  35   0.983  -0.099   1.866
  286   1HD1  LEU  35          1HD1      LEU  35   0.277   2.759   1.305
  287   2HD1  LEU  35          2HD1      LEU  35  -0.609   1.430   0.555
  288   3HD1  LEU  35          3HD1      LEU  35  -0.567   1.582   2.312
  289   1HD2  LEU  35          1HD2      LEU  35   2.859   0.708   0.039
  290   2HD2  LEU  35          2HD2      LEU  35   1.497  -0.360  -0.301
  291   3HD2  LEU  35          3HD2      LEU  35   1.368   1.369  -0.632
  292    H    HIS  36           H        HIS  36   3.474   0.939   5.118
  293    HA   HIS  36           HA       HIS  36   5.223   3.104   5.482
  294   1HB   HIS  36          1HB       HIS  36   3.688   1.292   7.131
  295   2HB   HIS  36          2HB       HIS  36   5.266   1.579   7.848
  296    HD1  HIS  36           HD1      HIS  36   5.806   4.431   7.590
  297    HD2  HIS  36           HD2      HIS  36   1.939   3.033   8.171
  298    HE1  HIS  36           HE1      HIS  36   4.521   6.379   8.527
  299    HE2  HIS  36           HE2      HIS  36   2.208   5.482   8.960
  300    H    THR  37           H        THR  37   5.710  -0.376   5.499
  301    HA   THR  37           HA       THR  37   8.363  -0.418   6.433
  302    HB   THR  37           HB       THR  37   6.921  -2.354   4.608
  303    HG1  THR  37           HG1      THR  37   6.357  -3.367   6.449
  304   1HG2  THR  37          1HG2      THR  37   9.684  -2.226   5.262
  305   2HG2  THR  37          2HG2      THR  37   8.984  -3.602   6.115
  306   3HG2  THR  37          3HG2      THR  37   8.825  -3.478   4.362
  307    H    TYR  38           H        TYR  38   6.959  -0.058   3.225
  308    HA   TYR  38           HA       TYR  38   9.278  -0.296   1.688
  309   1HB   TYR  38          1HB       TYR  38   7.183  -0.290   0.566
  310   2HB   TYR  38          2HB       TYR  38   6.728   1.257   1.271
  311    HD1  TYR  38           HD1      TYR  38   9.535  -0.126  -0.776
  312    HD2  TYR  38           HD2      TYR  38   6.799   3.069  -0.137
  313    HE1  TYR  38           HE1      TYR  38  10.454   1.037  -2.735
  314    HE2  TYR  38           HE2      TYR  38   7.706   4.243  -2.103
  315    HH   TYR  38           HH       TYR  38  10.197   4.096  -3.348
  316    H    GLN  39           H        GLN  39   7.621   2.725   2.563
  317    HA   GLN  39           HA       GLN  39   9.691   4.417   1.767
  318   1HB   GLN  39          1HB       GLN  39   7.291   4.737   3.505
  319   2HB   GLN  39          2HB       GLN  39   8.490   6.026   3.464
  320   1HG   GLN  39          1HG       GLN  39   7.216   4.876   0.996
  321   2HG   GLN  39          2HG       GLN  39   6.580   6.272   1.861
  322   2HE2  GLN  39          2HE2      GLN  39   9.595   6.763   2.457
  323   1HE2  GLN  39          1HE2      GLN  39  10.117   7.635   1.060
  324    H    LYS  40           H        LYS  40   9.003   3.071   4.991
  325    HA   LYS  40           HA       LYS  40  10.895   4.483   6.432
  326   1HB   LYS  40          1HB       LYS  40   9.013   2.777   7.100
  327   2HB   LYS  40          2HB       LYS  40  10.324   1.612   7.011
  328   1HG   LYS  40          1HG       LYS  40  11.587   2.899   8.647
  329   2HG   LYS  40          2HG       LYS  40  10.284   4.088   8.688
  330   1HD   LYS  40          1HD       LYS  40  10.013   1.185   9.464
  331   2HD   LYS  40          2HD       LYS  40  10.192   2.524  10.598
  332   1HE   LYS  40          1HE       LYS  40   7.930   2.163   8.632
  333   2HE   LYS  40          2HE       LYS  40   7.850   1.841  10.363
  334   1HZ   LYS  40          1HZ       LYS  40   8.474   4.242  10.670
  335   2HZ   LYS  40          2HZ       LYS  40   8.186   4.458   9.017
  336   3HZ   LYS  40          3HZ       LYS  40   6.930   3.966  10.038
  337    H    GLU  41           H        GLU  41  11.175   1.396   4.697
  338    HA   GLU  41           HA       GLU  41  13.974   1.131   5.323
  339   1HB   GLU  41          1HB       GLU  41  12.203  -0.434   3.441
  340   2HB   GLU  41          2HB       GLU  41  13.867  -0.849   3.828
  341   1HG   GLU  41          1HG       GLU  41  11.573  -0.737   5.773
  342   2HG   GLU  41          2HG       GLU  41  12.304  -2.197   5.103
  343    H    GLN  42           H        GLN  42  13.389   3.564   4.035
  344    HA   GLN  42           HA       GLN  42  14.843   3.200   1.505
  345   1HB   GLN  42          1HB       GLN  42  12.540   3.853   1.034
  346   2HB   GLN  42          2HB       GLN  42  12.691   5.235   2.113
  347   1HG   GLN  42          1HG       GLN  42  14.376   6.205   0.657
  348   2HG   GLN  42          2HG       GLN  42  14.266   4.812  -0.414
  349   2HE2  GLN  42          2HE2      GLN  42  11.222   5.237   0.635
  350   1HE2  GLN  42          1HE2      GLN  42  10.616   6.285  -0.595
  351    H    LEU  43           H        LEU  43  14.349   5.118   4.393
  352    HA   LEU  43           HA       LEU  43  16.278   7.121   3.751
  353   1HB   LEU  43          1HB       LEU  43  15.039   6.344   6.381
  354   2HB   LEU  43          2HB       LEU  43  16.052   7.754   6.140
  355    HG   LEU  43           HG       LEU  43  13.417   7.284   4.747
  356   1HD1  LEU  43          1HD1      LEU  43  14.142   8.776   7.241
  357   2HD1  LEU  43          2HD1      LEU  43  12.766   9.269   6.254
  358   3HD1  LEU  43          3HD1      LEU  43  12.810   7.654   6.962
  359   1HD2  LEU  43          1HD2      LEU  43  15.301   9.633   4.823
  360   2HD2  LEU  43          2HD2      LEU  43  14.833   8.675   3.418
  361   3HD2  LEU  43          3HD2      LEU  43  13.648   9.711   4.212
  362    H    HIS  44           H        HIS  44  17.772   5.159   3.124
  363    HA   HIS  44           HA       HIS  44  19.742   4.956   5.255
  364   1HB   HIS  44          1HB       HIS  44  18.578   2.537   3.856
  365   2HB   HIS  44          2HB       HIS  44  19.986   2.507   4.913
  366    HD1  HIS  44           HD1      HIS  44  19.501   3.143   7.479
  367    HD2  HIS  44           HD2      HIS  44  16.165   2.372   5.126
  368    HE1  HIS  44           HE1      HIS  44  17.616   2.751   9.096
  369    HE2  HIS  44           HE2      HIS  44  15.631   2.177   7.651
  370    H    THR  45           H        THR  45  19.703   6.439   2.837
  371    HA   THR  45           HA       THR  45  20.886   6.875   0.938
  372    HB   THR  45           HB       THR  45  23.292   6.394   1.053
  373    HG1  THR  45           HG1      THR  45  24.045   5.214   2.923
  374   1HG2  THR  45          1HG2      THR  45  21.752   7.789   3.023
  375   2HG2  THR  45          2HG2      THR  45  23.198   7.117   3.777
  376   3HG2  THR  45          3HG2      THR  45  23.346   8.182   2.379
  377    H    LYS  46           H        LYS  46  23.170   4.921   0.168
  378    HA   LYS  46           HA       LYS  46  21.511   2.815  -1.036
  379   1HB   LYS  46          1HB       LYS  46  23.598   4.446  -2.498
  380   2HB   LYS  46          2HB       LYS  46  22.711   3.084  -3.166
  381   1HG   LYS  46          1HG       LYS  46  21.504   5.690  -2.260
  382   2HG   LYS  46          2HG       LYS  46  21.815   5.219  -3.932
  383   1HD   LYS  46          1HD       LYS  46  20.271   3.330  -3.679
  384   2HD   LYS  46          2HD       LYS  46  19.954   3.817  -2.013
  385   1HE   LYS  46          1HE       LYS  46  19.363   5.432  -4.491
  386   2HE   LYS  46          2HE       LYS  46  18.181   4.591  -3.488
  387   1HZ   LYS  46          1HZ       LYS  46  19.253   6.073  -1.633
  388   2HZ   LYS  46          2HZ       LYS  46  19.660   7.060  -2.944
  389   3HZ   LYS  46          3HZ       LYS  46  18.039   6.688  -2.640
  390    H    GLY  47           H        GLY  47  23.661   3.177   1.153
  391   1HA   GLY  47          1HA       GLY  47  25.494   2.032   1.948
  392   2HA   GLY  47          2HA       GLY  47  25.934   1.694   0.281
  393    H    ARG  48           H        ARG  48  22.979   0.835   2.009
  394    HA   ARG  48           HA       ARG  48  23.612  -1.808   2.631
  395   1HB   ARG  48          1HB       ARG  48  20.903  -0.636   1.979
  396   2HB   ARG  48          2HB       ARG  48  21.183  -2.168   2.796
  397   1HG   ARG  48          1HG       ARG  48  22.269  -0.988   4.638
  398   2HG   ARG  48          2HG       ARG  48  21.973   0.546   3.821
  399   1HD   ARG  48          1HD       ARG  48  20.291   0.236   5.504
  400   2HD   ARG  48          2HD       ARG  48  19.541   0.072   3.918
  401    HE   ARG  48           HE       ARG  48  19.846  -1.983   5.929
  402   1HH1  ARG  48          1HH1      ARG  48  19.126  -1.256   2.595
  403   2HH1  ARG  48          2HH1      ARG  48  18.391  -2.793   2.288
  404   1HH2  ARG  48          1HH2      ARG  48  18.874  -4.003   5.529
  405   2HH2  ARG  48          2HH2      ARG  48  18.248  -4.352   3.953
  406    HA   PRO  49           HA       PRO  49  23.690  -3.859  -1.285
  407   1HB   PRO  49          1HB       PRO  49  23.099  -6.384  -0.467
  408   2HB   PRO  49          2HB       PRO  49  24.678  -5.631  -0.210
  409   1HG   PRO  49          1HG       PRO  49  22.371  -5.886   1.687
  410   2HG   PRO  49          2HG       PRO  49  24.096  -6.176   1.985
  411   1HD   PRO  49          1HD       PRO  49  22.901  -3.891   2.737
  412   2HD   PRO  49          2HD       PRO  49  24.574  -3.912   2.143
  413    H    PHE  50           H        PHE  50  22.280  -4.115  -2.882
  414    HA   PHE  50           HA       PHE  50  20.349  -4.396  -4.041
  415   1HB   PHE  50          1HB       PHE  50  20.356  -6.595  -2.864
  416   2HB   PHE  50          2HB       PHE  50  19.371  -5.877  -1.594
  417    HD1  PHE  50           HD1      PHE  50  19.176  -5.575  -5.305
  418    HD2  PHE  50           HD2      PHE  50  17.290  -6.859  -1.712
  419    HE1  PHE  50           HE1      PHE  50  17.147  -6.138  -6.576
  420    HE2  PHE  50           HE2      PHE  50  15.257  -7.424  -2.978
  421    HZ   PHE  50           HZ       PHE  50  15.184  -7.064  -5.413
  422    H    ARG  51           H        ARG  51  18.468  -3.284  -4.399
  423    HA   ARG  51           HA       ARG  51  17.959  -1.030  -2.783
  424   1HB   ARG  51          1HB       ARG  51  17.567  -1.080  -5.216
  425   2HB   ARG  51          2HB       ARG  51  16.253  -2.220  -4.976
  426   1HG   ARG  51          1HG       ARG  51  15.048  -0.518  -3.685
  427   2HG   ARG  51          2HG       ARG  51  16.364   0.614  -3.998
  428   1HD   ARG  51          1HD       ARG  51  15.953   0.509  -6.371
  429   2HD   ARG  51          2HD       ARG  51  14.728  -0.737  -6.137
  430    HE   ARG  51           HE       ARG  51  13.241   0.943  -5.799
  431   1HH1  ARG  51          1HH1      ARG  51  16.394   2.113  -4.862
  432   2HH1  ARG  51          2HH1      ARG  51  15.820   3.689  -4.435
  433   1HH2  ARG  51          1HH2      ARG  51  12.485   3.018  -5.239
  434   2HH2  ARG  51          2HH2      ARG  51  13.602   4.205  -4.650
  435    H    GLY  52           H        GLY  52  17.214  -4.133  -2.197
  436   1HA   GLY  52          1HA       GLY  52  15.614  -3.661   0.033
  437   2HA   GLY  52          2HA       GLY  52  15.771  -5.213  -0.776
  438    H    MET  53           H        MET  53  13.602  -3.202   0.337
  439    HA   MET  53           HA       MET  53  11.467  -4.263  -1.218
  440   1HB   MET  53          1HB       MET  53  11.461  -3.688   1.244
  441   2HB   MET  53          2HB       MET  53  11.362  -2.001   0.766
  442   1HG   MET  53          1HG       MET  53   9.242  -2.362  -0.302
  443   2HG   MET  53          2HG       MET  53   9.351  -4.098  -0.010
  444   1HE   MET  53          1HE       MET  53   6.967  -3.836   0.765
  445   2HE   MET  53          2HE       MET  53   6.485  -3.313   2.379
  446   3HE   MET  53          3HE       MET  53   6.724  -2.122   1.100
  447    H    SER  54           H        SER  54  10.121  -3.235  -2.693
  448    HA   SER  54           HA       SER  54  10.439  -0.431  -3.279
  449   1HB   SER  54          1HB       SER  54  12.404  -1.357  -4.440
  450   2HB   SER  54          2HB       SER  54  11.353  -2.438  -5.348
  451    HG   SER  54           HG       SER  54  12.021  -0.308  -6.316
  452    H    GLU  55           H        GLU  55   9.523  -3.329  -5.111
  453    HA   GLU  55           HA       GLU  55   6.736  -2.445  -5.127
  454   1HB   GLU  55          1HB       GLU  55   8.307  -3.061  -7.639
  455   2HB   GLU  55          2HB       GLU  55   6.570  -2.788  -7.571
  456   1HG   GLU  55          1HG       GLU  55   6.907  -0.511  -6.881
  457   2HG   GLU  55          2HG       GLU  55   8.648  -0.764  -6.772
  458    H    GLU  56           H        GLU  56   9.137  -4.877  -5.923
  459    HA   GLU  56           HA       GLU  56   7.430  -7.028  -6.454
  460   1HB   GLU  56          1HB       GLU  56   9.405  -8.435  -5.855
  461   2HB   GLU  56          2HB       GLU  56   9.772  -7.153  -7.001
  462   1HG   GLU  56          1HG       GLU  56  10.655  -5.787  -5.137
  463   2HG   GLU  56          2HG       GLU  56  10.369  -7.146  -4.051
  464    H    GLU  57           H        GLU  57   9.033  -6.078  -3.423
  465    HA   GLU  57           HA       GLU  57   7.720  -8.080  -1.880
  466   1HB   GLU  57          1HB       GLU  57   9.821  -7.354  -1.075
  467   2HB   GLU  57          2HB       GLU  57   9.353  -5.660  -1.152
  468   1HG   GLU  57          1HG       GLU  57   8.009  -5.817   0.741
  469   2HG   GLU  57          2HG       GLU  57   7.949  -7.581   0.671
  470    H    VAL  58           H        VAL  58   7.179  -4.611  -2.393
  471    HA   VAL  58           HA       VAL  58   5.191  -4.203  -0.488
  472    HB   VAL  58           HB       VAL  58   5.297  -2.946  -3.237
  473   1HG1  VAL  58          1HG1      VAL  58   3.192  -2.673  -1.865
  474   2HG1  VAL  58          2HG1      VAL  58   4.172  -1.781  -0.700
  475   3HG1  VAL  58          3HG1      VAL  58   3.996  -1.179  -2.349
  476   1HG2  VAL  58          1HG2      VAL  58   7.432  -2.780  -1.959
  477   2HG2  VAL  58          2HG2      VAL  58   6.672  -1.224  -2.292
  478   3HG2  VAL  58          3HG2      VAL  58   6.548  -1.938  -0.684
  479    H    PHE  59           H        PHE  59   4.928  -5.322  -3.831
  480    HA   PHE  59           HA       PHE  59   2.115  -5.573  -3.890
  481   1HB   PHE  59          1HB       PHE  59   3.503  -5.470  -5.920
  482   2HB   PHE  59          2HB       PHE  59   4.220  -7.024  -5.511
  483    HD1  PHE  59           HD1      PHE  59   0.696  -5.780  -5.586
  484    HD2  PHE  59           HD2      PHE  59   3.536  -8.617  -7.000
  485    HE1  PHE  59           HE1      PHE  59  -1.078  -6.923  -6.853
  486    HE2  PHE  59           HE2      PHE  59   1.768  -9.762  -8.271
  487    HZ   PHE  59           HZ       PHE  59  -0.543  -8.915  -8.197
  488    H    THR  60           H        THR  60   4.716  -7.828  -3.126
  489    HA   THR  60           HA       THR  60   3.174 -10.159  -2.865
  490    HB   THR  60           HB       THR  60   5.782  -9.383  -1.556
  491    HG1  THR  60           HG1      THR  60   5.800 -11.346  -3.457
  492   1HG2  THR  60          1HG2      THR  60   4.462 -12.095  -1.705
  493   2HG2  THR  60          2HG2      THR  60   6.102 -11.784  -1.134
  494   3HG2  THR  60          3HG2      THR  60   4.721 -11.139  -0.245
  495    H    GLU  61           H        GLU  61   4.240  -7.848  -0.408
  496    HA   GLU  61           HA       GLU  61   3.173  -9.099   1.819
  497   1HB   GLU  61          1HB       GLU  61   3.623  -6.162   1.319
  498   2HB   GLU  61          2HB       GLU  61   3.289  -6.868   2.893
  499   1HG   GLU  61          1HG       GLU  61   5.668  -7.531   1.172
  500   2HG   GLU  61          2HG       GLU  61   5.676  -6.401   2.525
  501    H    VAL  62           H        VAL  62   1.755  -6.471  -0.127
  502    HA   VAL  62           HA       VAL  62  -0.677  -6.369   1.299
  503    HB   VAL  62           HB       VAL  62  -0.172  -5.565  -1.570
  504   1HG1  VAL  62          1HG1      VAL  62  -2.539  -5.563   0.056
  505   2HG1  VAL  62          2HG1      VAL  62  -2.088  -3.912  -0.371
  506   3HG1  VAL  62          3HG1      VAL  62  -2.344  -5.112  -1.637
  507   1HG2  VAL  62          1HG2      VAL  62   0.542  -4.345   1.010
  508   2HG2  VAL  62          2HG2      VAL  62   1.260  -4.130  -0.587
  509   3HG2  VAL  62          3HG2      VAL  62  -0.212  -3.258  -0.158
  510    H    ALA  63           H        ALA  63   0.225  -8.044  -1.702
  511    HA   ALA  63           HA       ALA  63  -2.303  -9.090  -2.306
  512   1HB   ALA  63          1HB       ALA  63  -1.252 -10.417  -3.907
  513   2HB   ALA  63          2HB       ALA  63   0.238 -10.529  -2.969
  514   3HB   ALA  63          3HB       ALA  63  -0.194  -9.013  -3.760
  515    H    ASN  64           H        ASN  64   0.360 -10.451  -0.396
  516    HA   ASN  64           HA       ASN  64  -0.827 -12.954   0.056
  517   1HB   ASN  64          1HB       ASN  64   0.896 -13.359   1.581
  518   2HB   ASN  64          2HB       ASN  64   1.604 -12.169   0.497
  519   2HD2  ASN  64          2HD2      ASN  64   2.932 -11.034   1.608
  520   1HD2  ASN  64          1HD2      ASN  64   2.619 -10.278   3.127
  521    H    LEU  65           H        LEU  65  -1.060  -9.888   1.727
  522    HA   LEU  65           HA       LEU  65  -2.504 -10.709   3.993
  523   1HB   LEU  65          1HB       LEU  65  -1.777  -8.248   2.680
  524   2HB   LEU  65          2HB       LEU  65  -3.432  -8.165   3.247
  525    HG   LEU  65           HG       LEU  65  -1.035  -8.797   4.966
  526   1HD1  LEU  65          1HD1      LEU  65  -1.853  -6.378   3.906
  527   2HD1  LEU  65          2HD1      LEU  65  -2.525  -6.385   5.539
  528   3HD1  LEU  65          3HD1      LEU  65  -0.793  -6.611   5.297
  529   1HD2  LEU  65          1HD2      LEU  65  -3.909  -9.034   5.376
  530   2HD2  LEU  65          2HD2      LEU  65  -2.575  -9.664   6.339
  531   3HD2  LEU  65          3HD2      LEU  65  -3.126  -8.006   6.576
  532    H    PHE  66           H        PHE  66  -3.725  -9.044   1.121
  533    HA   PHE  66           HA       PHE  66  -6.454  -9.713   1.661
  534   1HB   PHE  66          1HB       PHE  66  -5.210  -8.569  -0.849
  535   2HB   PHE  66          2HB       PHE  66  -6.923  -8.575  -0.457
  536    HD1  PHE  66           HD1      PHE  66  -5.640  -7.959   2.611
  537    HD2  PHE  66           HD2      PHE  66  -5.867  -6.094  -1.212
  538    HE1  PHE  66           HE1      PHE  66  -5.373  -5.756   3.671
  539    HE2  PHE  66           HE2      PHE  66  -5.605  -3.891  -0.154
  540    HZ   PHE  66           HZ       PHE  66  -5.356  -3.720   2.289
  541    H    ARG  67           H        ARG  67  -5.018 -12.104   1.515
  542    HA   ARG  67           HA       ARG  67  -5.001 -13.328  -1.000
  543   1HB   ARG  67          1HB       ARG  67  -3.857 -14.269   0.960
  544   2HB   ARG  67          2HB       ARG  67  -5.413 -14.610   1.707
  545   1HG   ARG  67          1HG       ARG  67  -4.471 -16.621   0.745
  546   2HG   ARG  67          2HG       ARG  67  -5.942 -16.161  -0.114
  547   1HD   ARG  67          1HD       ARG  67  -4.601 -15.155  -1.887
  548   2HD   ARG  67          2HD       ARG  67  -3.124 -15.578  -1.022
  549    HE   ARG  67           HE       ARG  67  -4.626 -17.908  -1.437
  550   1HH1  ARG  67          1HH1      ARG  67  -2.811 -15.546  -3.246
  551   2HH1  ARG  67          2HH1      ARG  67  -2.373 -16.656  -4.501
  552   1HH2  ARG  67          1HH2      ARG  67  -4.055 -19.375  -3.089
  553   2HH2  ARG  67          2HH2      ARG  67  -3.085 -18.829  -4.415
  554    H    GLY  68           H        GLY  68  -6.503 -14.362  -2.205
  555   1HA   GLY  68          1HA       GLY  68  -9.103 -15.035  -1.134
  556   2HA   GLY  68          2HA       GLY  68  -8.559 -15.278  -2.789
  557    H    GLN  69           H        GLN  69  -8.705 -12.324  -0.829
  558    HA   GLN  69           HA       GLN  69 -10.902 -11.278  -2.404
  559   1HB   GLN  69          1HB       GLN  69  -9.301 -10.051  -0.148
  560   2HB   GLN  69          2HB       GLN  69 -10.697  -9.300  -0.911
  561   1HG   GLN  69          1HG       GLN  69 -12.117 -11.113  -0.160
  562   2HG   GLN  69          2HG       GLN  69 -10.727 -11.931   0.550
  563   2HE2  GLN  69          2HE2      GLN  69 -10.645 -11.731   2.656
  564   1HE2  GLN  69          1HE2      GLN  69 -11.148 -10.360   3.577
  565    H    GLU  70           H        GLU  70  -9.093 -11.702  -4.206
  566    HA   GLU  70           HA       GLU  70  -7.103  -9.739  -4.583
  567   1HB   GLU  70          1HB       GLU  70  -8.497 -11.434  -6.659
  568   2HB   GLU  70          2HB       GLU  70  -6.972 -10.584  -6.873
  569   1HG   GLU  70          1HG       GLU  70  -5.996 -11.963  -5.077
  570   2HG   GLU  70          2HG       GLU  70  -7.508 -12.862  -4.981
  571    H    ASP  71           H        ASP  71 -10.343  -9.262  -4.532
  572    HA   ASP  71           HA       ASP  71 -10.842  -7.713  -6.819
  573   1HB   ASP  71          1HB       ASP  71 -12.683  -6.682  -5.439
  574   2HB   ASP  71          2HB       ASP  71 -12.711  -8.438  -5.527
  575    H    LEU  72           H        LEU  72  -9.622  -6.808  -3.625
  576    HA   LEU  72           HA       LEU  72  -9.430  -4.019  -4.207
  577   1HB   LEU  72          1HB       LEU  72  -8.072  -5.690  -2.086
  578   2HB   LEU  72          2HB       LEU  72  -8.082  -3.936  -2.135
  579    HG   LEU  72           HG       LEU  72 -10.574  -5.618  -1.894
  580   1HD1  LEU  72          1HD1      LEU  72  -8.584  -4.924   0.078
  581   2HD1  LEU  72          2HD1      LEU  72 -10.155  -4.230   0.480
  582   3HD1  LEU  72          3HD1      LEU  72  -9.997  -5.968   0.222
  583   1HD2  LEU  72          1HD2      LEU  72 -10.582  -3.206  -2.839
  584   2HD2  LEU  72          2HD2      LEU  72 -11.738  -3.641  -1.579
  585   3HD2  LEU  72          3HD2      LEU  72 -10.283  -2.732  -1.165
  586    H    LEU  73           H        LEU  73  -7.290  -6.785  -4.398
  587    HA   LEU  73           HA       LEU  73  -4.852  -5.572  -4.751
  588   1HB   LEU  73          1HB       LEU  73  -6.075  -8.131  -5.025
  589   2HB   LEU  73          2HB       LEU  73  -5.034  -7.856  -6.385
  590    HG   LEU  73           HG       LEU  73  -3.760  -9.004  -4.725
  591   1HD1  LEU  73          1HD1      LEU  73  -2.792  -6.907  -5.918
  592   2HD1  LEU  73          2HD1      LEU  73  -2.858  -6.189  -4.308
  593   3HD1  LEU  73          3HD1      LEU  73  -1.901  -7.645  -4.586
  594   1HD2  LEU  73          1HD2      LEU  73  -5.410  -8.084  -2.912
  595   2HD2  LEU  73          2HD2      LEU  73  -3.766  -8.546  -2.478
  596   3HD2  LEU  73          3HD2      LEU  73  -4.170  -6.846  -2.715
  597    H    SER  74           H        SER  74  -7.443  -6.194  -7.045
  598    HA   SER  74           HA       SER  74  -6.147  -5.735  -9.446
  599   1HB   SER  74          1HB       SER  74  -8.475  -6.512  -9.284
  600   2HB   SER  74          2HB       SER  74  -8.965  -4.927  -8.683
  601    HG   SER  74           HG       SER  74  -9.263  -4.540 -10.734
  602    H    GLU  75           H        GLU  75  -7.504  -3.420  -7.148
  603    HA   GLU  75           HA       GLU  75  -6.951  -1.130  -8.763
  604   1HB   GLU  75          1HB       GLU  75  -7.506  -1.327  -5.797
  605   2HB   GLU  75          2HB       GLU  75  -7.510   0.157  -6.738
  606   1HG   GLU  75          1HG       GLU  75  -9.353  -0.763  -8.106
  607   2HG   GLU  75          2HG       GLU  75  -9.384  -2.176  -7.054
  608    H    PHE  76           H        PHE  76  -5.302  -2.772  -6.110
  609    HA   PHE  76           HA       PHE  76  -3.283  -0.912  -5.603
  610   1HB   PHE  76          1HB       PHE  76  -3.778  -2.971  -4.256
  611   2HB   PHE  76          2HB       PHE  76  -2.999  -3.924  -5.512
  612    HD1  PHE  76           HD1      PHE  76  -1.980  -0.666  -4.019
  613    HD2  PHE  76           HD2      PHE  76  -1.099  -4.799  -4.529
  614    HE1  PHE  76           HE1      PHE  76   0.184  -0.338  -2.899
  615    HE2  PHE  76           HE2      PHE  76   1.071  -4.480  -3.410
  616    HZ   PHE  76           HZ       PHE  76   1.712  -2.241  -2.589
  617    H    GLY  77           H        GLY  77  -3.424  -3.534  -7.975
  618   1HA   GLY  77          1HA       GLY  77  -2.157  -3.995  -9.827
  619   2HA   GLY  77          2HA       GLY  77  -0.800  -3.300  -8.954
  620    H    GLN  78           H        GLN  78  -3.764  -1.606  -9.847
  621    HA   GLN  78           HA       GLN  78  -3.005  -0.468 -12.242
  622   1HB   GLN  78          1HB       GLN  78  -4.635   0.818 -10.045
  623   2HB   GLN  78          2HB       GLN  78  -4.589   1.346 -11.722
  624   1HG   GLN  78          1HG       GLN  78  -5.537  -0.791 -12.421
  625   2HG   GLN  78          2HG       GLN  78  -5.583  -1.321 -10.742
  626   2HE2  GLN  78          2HE2      GLN  78  -6.212   1.902 -10.709
  627   1HE2  GLN  78          1HE2      GLN  78  -7.936   1.859 -10.762
  628    H    PHE  79           H        PHE  79  -2.422   0.786  -8.966
  629    HA   PHE  79           HA       PHE  79  -1.029   3.103  -9.831
  630   1HB   PHE  79          1HB       PHE  79  -1.090   1.670  -7.171
  631   2HB   PHE  79          2HB       PHE  79  -0.218   3.173  -7.435
  632    HD1  PHE  79           HD1      PHE  79  -3.632   1.943  -8.372
  633    HD2  PHE  79           HD2      PHE  79  -1.285   4.943  -6.473
  634    HE1  PHE  79           HE1      PHE  79  -5.673   3.223  -7.880
  635    HE2  PHE  79           HE2      PHE  79  -3.324   6.228  -5.979
  636    HZ   PHE  79           HZ       PHE  79  -5.521   5.369  -6.683
  637    H    LEU  80           H        LEU  80   0.024  -0.087  -8.707
  638    HA   LEU  80           HA       LEU  80   2.791   0.409  -8.766
  639   1HB   LEU  80          1HB       LEU  80   1.336  -2.201  -9.211
  640   2HB   LEU  80          2HB       LEU  80   3.034  -2.033  -8.810
  641    HG   LEU  80           HG       LEU  80   0.741  -1.225  -7.021
  642   1HD1  LEU  80          1HD1      LEU  80   2.481  -3.664  -7.137
  643   2HD1  LEU  80          2HD1      LEU  80   1.704  -3.151  -5.639
  644   3HD1  LEU  80          3HD1      LEU  80   0.723  -3.559  -7.047
  645   1HD2  LEU  80          1HD2      LEU  80   2.911   0.067  -6.827
  646   2HD2  LEU  80          2HD2      LEU  80   2.350  -0.741  -5.363
  647   3HD2  LEU  80          3HD2      LEU  80   3.656  -1.448  -6.316
  648    HA   PRO  81           HA       PRO  81   3.331   0.638 -13.199
  649   1HB   PRO  81          1HB       PRO  81   6.188   0.500 -12.666
  650   2HB   PRO  81          2HB       PRO  81   5.248   1.826 -13.343
  651   1HG   PRO  81          1HG       PRO  81   6.348   1.930 -10.872
  652   2HG   PRO  81          2HG       PRO  81   4.840   2.764 -11.288
  653   1HD   PRO  81          1HD       PRO  81   5.245   0.196  -9.806
  654   2HD   PRO  81          2HD       PRO  81   4.077   1.502  -9.506
  655    H    GLU  82           H        GLU  82   3.039  -1.099 -14.434
  656    HA   GLU  82           HA       GLU  82   4.979  -3.042 -14.923
  657   1HB   GLU  82          1HB       GLU  82   4.452  -3.855 -12.666
  658   2HB   GLU  82          2HB       GLU  82   2.758  -4.004 -13.110
  659   1HG   GLU  82          1HG       GLU  82   3.334  -5.704 -14.762
  660   2HG   GLU  82          2HG       GLU  82   5.036  -5.551 -14.328
  661    H    ALA  83           H        ALA  83   1.458  -2.644 -14.658
  662    HA   ALA  83           HA       ALA  83  -0.242  -3.014 -16.123
  663   1HB   ALA  83          1HB       ALA  83   1.947  -2.441 -18.118
  664   2HB   ALA  83          2HB       ALA  83   0.226  -2.503 -18.501
  665   3HB   ALA  83          3HB       ALA  83   0.841  -1.274 -17.395
  666    H    LYS  84           H        LYS  84   0.326  -4.144 -18.898
  667    HA   LYS  84           HA       LYS  84   0.317  -6.157 -19.948
  668   1HB   LYS  84          1HB       LYS  84   2.600  -6.371 -19.103
  669   2HB   LYS  84          2HB       LYS  84   1.993  -7.021 -17.587
  670   1HG   LYS  84          1HG       LYS  84   1.102  -8.963 -18.780
  671   2HG   LYS  84          2HG       LYS  84   1.722  -8.311 -20.296
  672   1HD   LYS  84          1HD       LYS  84   3.281  -9.944 -19.532
  673   2HD   LYS  84          2HD       LYS  84   4.013  -8.361 -19.277
  674   1HE   LYS  84          1HE       LYS  84   2.576  -9.944 -17.150
  675   2HE   LYS  84          2HE       LYS  84   4.323  -9.941 -17.378
  676   1HZ   LYS  84          1HZ       LYS  84   4.047  -7.395 -17.150
  677   2HZ   LYS  84          2HZ       LYS  84   2.576  -7.780 -16.410
  678   3HZ   LYS  84          3HZ       LYS  84   4.027  -8.356 -15.758
  679    H    ARG  85           H        ARG  85  -1.001  -7.925 -20.087
  680    HA   ARG  85           HA       ARG  85  -3.186  -8.117 -18.369
  681   1HB   ARG  85          1HB       ARG  85  -3.248  -8.914 -20.678
  682   2HB   ARG  85          2HB       ARG  85  -2.093 -10.182 -20.289
  683   1HG   ARG  85          1HG       ARG  85  -4.325 -11.092 -20.411
  684   2HG   ARG  85          2HG       ARG  85  -3.722 -11.185 -18.756
  685   1HD   ARG  85          1HD       ARG  85  -4.996  -9.180 -18.176
  686   2HD   ARG  85          2HD       ARG  85  -5.590  -9.074 -19.833
  687    HE   ARG  85           HE       ARG  85  -6.682 -10.646 -17.778
  688   1HH1  ARG  85          1HH1      ARG  85  -5.860 -10.860 -21.161
  689   2HH1  ARG  85          2HH1      ARG  85  -7.073 -12.046 -21.510
  690   1HH2  ARG  85          1HH2      ARG  85  -8.276 -12.207 -18.233
  691   2HH2  ARG  85          2HH2      ARG  85  -8.446 -12.809 -19.848
  692    H1   ASN   1           H1       ASN   1   2.586   8.231  -5.539
  693    H2   ASN   1           H2       ASN   1   3.112   8.213  -7.146
  694    H3   ASN   1           H3       ASN   1   1.463   8.067  -6.792
  695    HA   ASN   1           HA       ASN   1   1.830   5.900  -7.074
  696   1HB   ASN   1          1HB       ASN   1   4.100   4.902  -6.862
  697   2HB   ASN   1          2HB       ASN   1   4.067   6.288  -7.943
  698   2HD2  ASN   1          2HD2      ASN   1   5.692   7.619  -7.719
  699   1HD2  ASN   1          1HD2      ASN   1   6.582   7.917  -6.268
  700    H    ILE   2           H        ILE   2   3.933   4.636  -5.062
  701    HA   ILE   2           HA       ILE   2   2.131   3.787  -3.147
  702    HB   ILE   2           HB       ILE   2   5.131   4.030  -2.911
  703   1HG1  ILE   2          1HG1      ILE   2   4.416   2.597  -4.751
  704   2HG1  ILE   2          2HG1      ILE   2   5.100   1.622  -3.454
  705   1HG2  ILE   2          1HG2      ILE   2   4.122   3.878  -0.702
  706   2HG2  ILE   2          2HG2      ILE   2   3.207   2.456  -1.205
  707   3HG2  ILE   2          3HG2      ILE   2   4.966   2.383  -1.108
  708   1HD1  ILE   2          1HD1      ILE   2   2.341   1.781  -2.958
  709   2HD1  ILE   2          2HD1      ILE   2   2.531   1.449  -4.679
  710   3HD1  ILE   2          3HD1      ILE   2   3.276   0.383  -3.488
  711    H    GLN   3           H        GLN   3   4.197   6.620  -3.173
  712    HA   GLN   3           HA       GLN   3   4.031   7.417  -0.523
  713   1HB   GLN   3          1HB       GLN   3   5.500   8.540  -2.077
  714   2HB   GLN   3          2HB       GLN   3   4.134   9.077  -3.045
  715   1HG   GLN   3          1HG       GLN   3   3.360  10.367  -1.028
  716   2HG   GLN   3          2HG       GLN   3   4.917   9.990  -0.294
  717   2HE2  GLN   3          2HE2      GLN   3   3.243  12.211  -2.051
  718   1HE2  GLN   3          1HE2      GLN   3   4.563  13.082  -2.747
  719    H    MET   4           H        MET   4   1.766   7.907  -3.184
  720    HA   MET   4           HA       MET   4   0.033   9.676  -1.848
  721   1HB   MET   4          1HB       MET   4  -0.681   7.727  -4.043
  722   2HB   MET   4          2HB       MET   4  -1.558   9.190  -3.607
  723   1HG   MET   4          1HG       MET   4   0.486  10.494  -4.217
  724   2HG   MET   4          2HG       MET   4   1.181   8.996  -4.833
  725   1HE   MET   4          1HE       MET   4  -2.422  10.298  -4.818
  726   2HE   MET   4          2HE       MET   4  -1.692  11.757  -5.486
  727   3HE   MET   4          3HE       MET   4  -2.735  10.754  -6.492
  728    H    LEU   5           H        LEU   5  -0.129   6.133  -2.256
  729    HA   LEU   5           HA       LEU   5  -2.524   5.818  -0.779
  730   1HB   LEU   5          1HB       LEU   5  -0.302   3.837  -1.299
  731   2HB   LEU   5          2HB       LEU   5  -1.876   3.429  -0.643
  732    HG   LEU   5           HG       LEU   5  -1.325   4.519  -3.404
  733   1HD1  LEU   5          1HD1      LEU   5  -1.093   1.941  -2.460
  734   2HD1  LEU   5          2HD1      LEU   5  -2.716   1.982  -3.150
  735   3HD1  LEU   5          3HD1      LEU   5  -1.324   2.416  -4.143
  736   1HD2  LEU   5          1HD2      LEU   5  -3.816   4.212  -1.834
  737   2HD2  LEU   5          2HD2      LEU   5  -3.407   5.371  -3.099
  738   3HD2  LEU   5          3HD2      LEU   5  -3.867   3.722  -3.527
  739    H    LEU   6           H        LEU   6   0.884   5.520   0.108
  740    HA   LEU   6           HA       LEU   6   0.563   4.721   2.767
  741   1HB   LEU   6          1HB       LEU   6   2.699   4.635   1.606
  742   2HB   LEU   6          2HB       LEU   6   2.729   6.382   1.474
  743    HG   LEU   6           HG       LEU   6   2.844   6.501   3.975
  744   1HD1  LEU   6          1HD1      LEU   6   2.032   3.944   3.989
  745   2HD1  LEU   6          2HD1      LEU   6   3.778   3.709   4.099
  746   3HD1  LEU   6          3HD1      LEU   6   2.940   4.684   5.307
  747   1HD2  LEU   6          1HD2      LEU   6   4.966   5.202   2.312
  748   2HD2  LEU   6          2HD2      LEU   6   4.867   6.863   2.900
  749   3HD2  LEU   6          3HD2      LEU   6   5.236   5.552   4.021
  750    H    GLU   7           H        GLU   7   0.910   7.955   1.363
  751    HA   GLU   7           HA       GLU   7   0.713   9.393   3.780
  752   1HB   GLU   7          1HB       GLU   7   1.613  10.374   1.714
  753   2HB   GLU   7          2HB       GLU   7   0.032  10.252   0.958
  754   1HG   GLU   7          1HG       GLU   7   0.462  12.519   1.678
  755   2HG   GLU   7          2HG       GLU   7  -0.876  11.824   2.591
  756    H    ALA   8           H        ALA   8  -1.658   8.201   1.491
  757    HA   ALA   8           HA       ALA   8  -3.929   9.578   2.326
  758   1HB   ALA   8          1HB       ALA   8  -3.479   6.912   1.046
  759   2HB   ALA   8          2HB       ALA   8  -4.218   8.368   0.379
  760   3HB   ALA   8          3HB       ALA   8  -5.102   7.389   1.550
  761    H    ALA   9           H        ALA   9  -2.706   6.421   3.452
  762    HA   ALA   9           HA       ALA   9  -4.638   5.729   5.254
  763   1HB   ALA   9          1HB       ALA   9  -2.462   4.517   4.631
  764   2HB   ALA   9          2HB       ALA   9  -1.737   5.421   5.961
  765   3HB   ALA   9          3HB       ALA   9  -3.080   4.318   6.271
  766    H    ASP  10           H        ASP  10  -1.920   7.947   5.819
  767    HA   ASP  10           HA       ASP  10  -2.427   8.457   8.534
  768   1HB   ASP  10          1HB       ASP  10  -0.320   9.082   7.432
  769   2HB   ASP  10          2HB       ASP  10  -1.176  10.273   6.458
  770    H    TYR  11           H        TYR  11  -3.636   9.947   5.589
  771    HA   TYR  11           HA       TYR  11  -4.980  12.135   6.698
  772   1HB   TYR  11          1HB       TYR  11  -4.636  12.034   4.331
  773   2HB   TYR  11          2HB       TYR  11  -5.498  10.505   4.209
  774    HD1  TYR  11           HD1      TYR  11  -5.961  14.106   4.996
  775    HD2  TYR  11           HD2      TYR  11  -7.811  10.461   3.795
  776    HE1  TYR  11           HE1      TYR  11  -8.044  15.323   4.525
  777    HE2  TYR  11           HE2      TYR  11  -9.890  11.673   3.313
  778    HH   TYR  11           HH       TYR  11 -10.088  15.195   3.610
  779    H    LEU  12           H        LEU  12  -6.225   8.912   5.845
  780    HA   LEU  12           HA       LEU  12  -8.844   9.364   6.725
  781   1HB   LEU  12          1HB       LEU  12  -7.288   6.813   6.368
  782   2HB   LEU  12          2HB       LEU  12  -8.989   6.844   6.793
  783    HG   LEU  12           HG       LEU  12  -9.437   8.096   4.672
  784   1HD1  LEU  12          1HD1      LEU  12  -7.168   9.003   4.405
  785   2HD1  LEU  12          2HD1      LEU  12  -6.594   7.384   4.003
  786   3HD1  LEU  12          3HD1      LEU  12  -7.767   8.190   2.959
  787   1HD2  LEU  12          1HD2      LEU  12  -9.499   5.535   5.012
  788   2HD2  LEU  12          2HD2      LEU  12  -9.538   6.171   3.366
  789   3HD2  LEU  12          3HD2      LEU  12  -8.032   5.529   4.032
  790    H    GLU  13           H        GLU  13  -6.115   7.779   8.388
  791    HA   GLU  13           HA       GLU  13  -7.562   7.237  10.763
  792   1HB   GLU  13          1HB       GLU  13  -5.396   6.768  11.776
  793   2HB   GLU  13          2HB       GLU  13  -5.497   6.043  10.177
  794   1HG   GLU  13          1HG       GLU  13  -4.183   7.893   9.262
  795   2HG   GLU  13          2HG       GLU  13  -4.074   8.604  10.872

  No H/Q in entry =         795
  Start of MODEL   20
    1    H1   GLU   1           H1       GLU   1 -12.440  20.274  -0.572
    2    H2   GLU   1           H2       GLU   1 -13.552  19.255  -1.337
    3    H3   GLU   1           H3       GLU   1 -13.805  19.730   0.267
    4    HA   GLU   1           HA       GLU   1 -12.230  18.338   1.111
    5   1HB   GLU   1          1HB       GLU   1 -13.211  16.989  -1.415
    6   2HB   GLU   1          2HB       GLU   1 -12.552  16.157  -0.015
    7   1HG   GLU   1          1HG       GLU   1 -15.036  17.855   0.002
    8   2HG   GLU   1          2HG       GLU   1 -15.009  16.096  -0.118
    9    H    SER   2           H        SER   2 -11.034  16.271  -0.864
   10    HA   SER   2           HA       SER   2  -8.421  17.321  -0.899
   11   1HB   SER   2          1HB       SER   2  -9.576  15.007  -2.477
   12   2HB   SER   2          2HB       SER   2  -7.858  15.338  -2.262
   13    HG   SER   2           HG       SER   2  -9.686  14.248  -0.504
   14    H    ASP   3           H        ASP   3  -7.283  18.423  -2.401
   15    HA   ASP   3           HA       ASP   3  -8.673  19.768  -4.475
   16   1HB   ASP   3          1HB       ASP   3  -6.772  20.798  -3.345
   17   2HB   ASP   3          2HB       ASP   3  -5.702  19.537  -3.950
   18    H    SER   4           H        SER   4  -5.828  17.621  -4.799
   19    HA   SER   4           HA       SER   4  -6.251  17.168  -7.550
   20   1HB   SER   4          1HB       SER   4  -4.686  15.278  -5.912
   21   2HB   SER   4          2HB       SER   4  -4.314  15.978  -7.471
   22    HG   SER   4           HG       SER   4  -4.340  18.012  -5.914
   23    H    VAL   5           H        VAL   5  -7.139  15.503  -8.611
   24    HA   VAL   5           HA       VAL   5  -9.204  14.021  -7.370
   25    HB   VAL   5           HB       VAL   5  -7.877  13.627 -10.053
   26   1HG1  VAL   5          1HG1      VAL   5  -9.149  11.643  -9.050
   27   2HG1  VAL   5          2HG1      VAL   5 -10.600  12.622  -9.276
   28   3HG1  VAL   5          3HG1      VAL   5  -9.614  12.173 -10.667
   29   1HG2  VAL   5          1HG2      VAL   5  -9.465  15.716  -9.165
   30   2HG2  VAL   5          2HG2      VAL   5  -9.139  15.287 -10.845
   31   3HG2  VAL   5          3HG2      VAL   5 -10.584  14.673 -10.042
   32    H    GLU   6           H        GLU   6  -5.960  13.200  -8.485
   33    HA   GLU   6           HA       GLU   6  -6.009  10.454  -8.021
   34   1HB   GLU   6          1HB       GLU   6  -3.654  12.330  -7.796
   35   2HB   GLU   6          2HB       GLU   6  -3.567  10.584  -7.984
   36   1HG   GLU   6          1HG       GLU   6  -4.631  10.756 -10.169
   37   2HG   GLU   6          2HG       GLU   6  -4.737  12.506  -9.982
   38    H    PHE   7           H        PHE   7  -5.264  13.118  -5.812
   39    HA   PHE   7           HA       PHE   7  -4.281  11.587  -3.683
   40   1HB   PHE   7          1HB       PHE   7  -4.054  14.018  -3.736
   41   2HB   PHE   7          2HB       PHE   7  -5.798  14.205  -3.601
   42    HD1  PHE   7           HD1      PHE   7  -3.459  11.978  -1.738
   43    HD2  PHE   7           HD2      PHE   7  -6.185  15.244  -1.575
   44    HE1  PHE   7           HE1      PHE   7  -3.265  12.015   0.715
   45    HE2  PHE   7           HE2      PHE   7  -5.994  15.286   0.877
   46    HZ   PHE   7           HZ       PHE   7  -4.534  13.670   2.025
   47    H    ASN   8           H        ASN   8  -7.603  12.849  -4.151
   48    HA   ASN   8           HA       ASN   8  -8.706  11.413  -1.985
   49   1HB   ASN   8          1HB       ASN   8 -10.063  13.160  -2.617
   50   2HB   ASN   8          2HB       ASN   8  -9.731  12.939  -4.331
   51   2HD2  ASN   8          2HD2      ASN   8 -11.274  12.146  -5.491
   52   1HD2  ASN   8          1HD2      ASN   8 -12.600  11.213  -4.922
   53    H    ASN   9           H        ASN   9  -8.071  10.740  -5.307
   54    HA   ASN   9           HA       ASN   9  -9.636   8.496  -5.800
   55   1HB   ASN   9          1HB       ASN   9  -8.208   9.789  -7.434
   56   2HB   ASN   9          2HB       ASN   9  -6.810   8.963  -6.777
   57   2HD2  ASN   9          2HD2      ASN   9  -8.295   9.048  -9.392
   58   1HD2  ASN   9          1HD2      ASN   9  -8.416   7.391  -9.822
   59    H    ALA  10           H        ALA  10  -6.449   8.820  -4.323
   60    HA   ALA  10           HA       ALA  10  -6.049   6.026  -3.890
   61   1HB   ALA  10          1HB       ALA  10  -4.323   7.103  -2.175
   62   2HB   ALA  10          2HB       ALA  10  -4.026   7.075  -3.914
   63   3HB   ALA  10          3HB       ALA  10  -4.651   8.537  -3.149
   64    H    ILE  11           H        ILE  11  -7.191   8.735  -1.933
   65    HA   ILE  11           HA       ILE  11  -7.307   7.570   0.567
   66    HB   ILE  11           HB       ILE  11  -9.386   9.435  -0.582
   67   1HG1  ILE  11          1HG1      ILE  11  -7.103  10.339  -0.815
   68   2HG1  ILE  11          2HG1      ILE  11  -8.057  11.259   0.337
   69   1HG2  ILE  11          1HG2      ILE  11 -10.013   8.299   1.511
   70   2HG2  ILE  11          2HG2      ILE  11  -8.565   8.957   2.274
   71   3HG2  ILE  11          3HG2      ILE  11  -9.832  10.045   1.707
   72   1HD1  ILE  11          1HD1      ILE  11  -6.712   9.270   1.800
   73   2HD1  ILE  11          2HD1      ILE  11  -5.538   9.987   0.695
   74   3HD1  ILE  11          3HD1      ILE  11  -6.438  11.012   1.812
   75    H    SER  12           H        SER  12  -9.725   7.458  -2.028
   76    HA   SER  12           HA       SER  12 -11.712   6.088  -0.640
   77   1HB   SER  12          1HB       SER  12 -12.593   5.451  -2.848
   78   2HB   SER  12          2HB       SER  12 -12.095   7.142  -2.829
   79    HG   SER  12           HG       SER  12 -11.200   6.372  -4.644
   80    H    TYR  13           H        TYR  13  -8.828   4.869  -2.276
   81    HA   TYR  13           HA       TYR  13  -9.541   2.141  -2.255
   82   1HB   TYR  13          1HB       TYR  13  -7.614   3.089  -3.537
   83   2HB   TYR  13          2HB       TYR  13  -6.754   3.301  -2.019
   84    HD1  TYR  13           HD1      TYR  13  -8.734   0.506  -3.533
   85    HD2  TYR  13           HD2      TYR  13  -5.071   1.748  -1.763
   86    HE1  TYR  13           HE1      TYR  13  -7.890  -1.798  -3.675
   87    HE2  TYR  13           HE2      TYR  13  -4.216  -0.552  -1.904
   88    HH   TYR  13           HH       TYR  13  -5.167  -2.862  -2.023
   89    H    VAL  14           H        VAL  14  -7.595   4.080  -0.011
   90    HA   VAL  14           HA       VAL  14  -7.184   2.065   1.922
   91    HB   VAL  14           HB       VAL  14  -7.373   5.041   2.429
   92   1HG1  VAL  14          1HG1      VAL  14  -6.362   2.718   3.994
   93   2HG1  VAL  14          2HG1      VAL  14  -5.549   4.274   4.159
   94   3HG1  VAL  14          3HG1      VAL  14  -7.268   4.133   4.529
   95   1HG2  VAL  14          1HG2      VAL  14  -5.119   3.356   1.378
   96   2HG2  VAL  14          2HG2      VAL  14  -5.789   4.846   0.711
   97   3HG2  VAL  14          3HG2      VAL  14  -4.837   4.894   2.195
   98    H    ASN  15           H        ASN  15  -9.666   4.517   1.542
   99    HA   ASN  15           HA       ASN  15 -11.051   4.147   3.934
  100   1HB   ASN  15          1HB       ASN  15 -11.415   6.091   2.541
  101   2HB   ASN  15          2HB       ASN  15 -12.009   5.093   1.230
  102   2HD2  ASN  15          2HD2      ASN  15 -12.916   7.077   3.660
  103   1HD2  ASN  15          1HD2      ASN  15 -14.538   6.533   3.901
  104    H    LYS  16           H        LYS  16 -11.504   2.619   0.760
  105    HA   LYS  16           HA       LYS  16 -13.771   1.091   1.514
  106   1HB   LYS  16          1HB       LYS  16 -13.147   1.602  -0.845
  107   2HB   LYS  16          2HB       LYS  16 -11.772   0.516  -0.689
  108   1HG   LYS  16          1HG       LYS  16 -13.288  -1.358  -0.306
  109   2HG   LYS  16          2HG       LYS  16 -14.669  -0.268  -0.442
  110   1HD   LYS  16          1HD       LYS  16 -14.125   0.195  -2.735
  111   2HD   LYS  16          2HD       LYS  16 -12.627  -0.733  -2.605
  112   1HE   LYS  16          1HE       LYS  16 -14.228  -2.110  -3.682
  113   2HE   LYS  16          2HE       LYS  16 -14.007  -2.735  -2.057
  114   1HZ   LYS  16          1HZ       LYS  16 -16.049  -0.987  -1.765
  115   2HZ   LYS  16          2HZ       LYS  16 -16.362  -1.644  -3.292
  116   3HZ   LYS  16          3HZ       LYS  16 -16.219  -2.660  -1.947
  117    H    ILE  17           H        ILE  17 -10.300   0.438   1.484
  118    HA   ILE  17           HA       ILE  17 -10.391  -2.295   2.107
  119    HB   ILE  17           HB       ILE  17  -8.312  -0.201   2.745
  120   1HG1  ILE  17          1HG1      ILE  17  -8.390  -2.395   0.661
  121   2HG1  ILE  17          2HG1      ILE  17  -8.707  -0.691   0.353
  122   1HG2  ILE  17          1HG2      ILE  17  -8.553  -2.829   3.818
  123   2HG2  ILE  17          2HG2      ILE  17  -7.160  -2.778   2.738
  124   3HG2  ILE  17          3HG2      ILE  17  -7.280  -1.636   4.077
  125   1HD1  ILE  17          1HD1      ILE  17  -6.186  -0.954   1.661
  126   2HD1  ILE  17          2HD1      ILE  17  -6.250  -2.041   0.272
  127   3HD1  ILE  17          3HD1      ILE  17  -6.553  -0.316   0.058
  128    H    LYS  18           H        LYS  18 -10.408   0.580   4.135
  129    HA   LYS  18           HA       LYS  18 -10.223  -0.677   6.647
  130   1HB   LYS  18          1HB       LYS  18  -9.868   1.717   6.326
  131   2HB   LYS  18          2HB       LYS  18 -11.537   1.923   5.839
  132   1HG   LYS  18          1HG       LYS  18 -12.268   1.258   8.079
  133   2HG   LYS  18          2HG       LYS  18 -10.581   1.090   8.570
  134   1HD   LYS  18          1HD       LYS  18 -11.758   3.647   7.493
  135   2HD   LYS  18          2HD       LYS  18 -11.678   3.264   9.213
  136   1HE   LYS  18          1HE       LYS  18  -9.309   3.411   7.351
  137   2HE   LYS  18          2HE       LYS  18  -9.809   4.688   8.460
  138   1HZ   LYS  18          1HZ       LYS  18  -9.494   3.092  10.296
  139   2HZ   LYS  18          2HZ       LYS  18  -8.883   1.966   9.193
  140   3HZ   LYS  18          3HZ       LYS  18  -8.062   3.420   9.458
  141    H    THR  19           H        THR  19 -13.038   0.622   4.947
  142    HA   THR  19           HA       THR  19 -14.981  -0.337   6.733
  143    HB   THR  19           HB       THR  19 -15.368   1.455   5.031
  144    HG1  THR  19           HG1      THR  19 -17.526   0.767   4.622
  145   1HG2  THR  19          1HG2      THR  19 -15.195  -0.896   3.186
  146   2HG2  THR  19          2HG2      THR  19 -16.206   0.488   2.776
  147   3HG2  THR  19          3HG2      THR  19 -14.473   0.705   3.024
  148    H    ARG  20           H        ARG  20 -13.372  -1.882   4.053
  149    HA   ARG  20           HA       ARG  20 -15.222  -3.975   3.659
  150   1HB   ARG  20          1HB       ARG  20 -13.570  -3.498   1.970
  151   2HB   ARG  20          2HB       ARG  20 -12.256  -3.822   3.097
  152   1HG   ARG  20          1HG       ARG  20 -12.638  -5.653   1.489
  153   2HG   ARG  20          2HG       ARG  20 -12.828  -6.158   3.170
  154   1HD   ARG  20          1HD       ARG  20 -15.270  -5.882   2.930
  155   2HD   ARG  20          2HD       ARG  20 -15.037  -5.497   1.227
  156    HE   ARG  20           HE       ARG  20 -14.931  -7.734   0.832
  157   1HH1  ARG  20          1HH1      ARG  20 -13.985  -7.172   4.141
  158   2HH1  ARG  20          2HH1      ARG  20 -13.782  -8.852   4.502
  159   1HH2  ARG  20          1HH2      ARG  20 -14.669  -9.949   1.305
  160   2HH2  ARG  20          2HH2      ARG  20 -14.173 -10.431   2.893
  161    H    PHE  21           H        PHE  21 -12.065  -4.067   5.319
  162    HA   PHE  21           HA       PHE  21 -12.877  -6.513   6.665
  163   1HB   PHE  21          1HB       PHE  21 -10.233  -5.053   6.619
  164   2HB   PHE  21          2HB       PHE  21 -10.525  -6.559   7.476
  165    HD1  PHE  21           HD1      PHE  21 -10.526  -5.030   4.098
  166    HD2  PHE  21           HD2      PHE  21 -10.342  -8.610   6.387
  167    HE1  PHE  21           HE1      PHE  21  -9.942  -6.295   2.068
  168    HE2  PHE  21           HE2      PHE  21  -9.746  -9.879   4.368
  169    HZ   PHE  21           HZ       PHE  21  -9.552  -8.723   2.201
  170    H    LEU  22           H        LEU  22 -14.347  -4.284   7.531
  171    HA   LEU  22           HA       LEU  22 -13.388  -2.934   9.757
  172   1HB   LEU  22          1HB       LEU  22 -16.154  -3.919   9.097
  173   2HB   LEU  22          2HB       LEU  22 -15.819  -2.955  10.521
  174    HG   LEU  22           HG       LEU  22 -15.320  -2.075   7.678
  175   1HD1  LEU  22          1HD1      LEU  22 -17.722  -2.321   8.304
  176   2HD1  LEU  22          2HD1      LEU  22 -17.452  -1.145   9.590
  177   3HD1  LEU  22          3HD1      LEU  22 -17.238  -0.672   7.905
  178   1HD2  LEU  22          1HD2      LEU  22 -14.970  -0.718  10.337
  179   2HD2  LEU  22          2HD2      LEU  22 -13.776  -0.949   9.060
  180   3HD2  LEU  22          3HD2      LEU  22 -15.114   0.175   8.823
  181    H    ASP  23           H        ASP  23 -14.605  -6.208   9.475
  182    HA   ASP  23           HA       ASP  23 -14.702  -6.706  12.289
  183   1HB   ASP  23          1HB       ASP  23 -14.677  -8.647   9.975
  184   2HB   ASP  23          2HB       ASP  23 -15.064  -9.045  11.645
  185    H    HIS  24           H        HIS  24 -12.357  -7.271   9.715
  186    HA   HIS  24           HA       HIS  24 -10.489  -8.397  11.661
  187   1HB   HIS  24          1HB       HIS  24 -10.529  -8.482   8.641
  188   2HB   HIS  24          2HB       HIS  24  -9.271  -9.169   9.644
  189    HD1  HIS  24           HD1      HIS  24 -10.436 -10.916  11.575
  190    HD2  HIS  24           HD2      HIS  24 -12.303 -10.368   7.903
  191    HE1  HIS  24           HE1      HIS  24 -11.947 -12.905  11.286
  192    HE2  HIS  24           HE2      HIS  24 -13.122 -12.514   9.092
  193    HA   PRO  25           HA       PRO  25  -9.026  -3.992  11.028
  194   1HB   PRO  25          1HB       PRO  25  -7.851  -3.903  13.495
  195   2HB   PRO  25          2HB       PRO  25  -9.506  -3.393  13.165
  196   1HG   PRO  25          1HG       PRO  25  -8.513  -5.998  14.261
  197   2HG   PRO  25          2HG       PRO  25  -9.905  -5.024  14.776
  198   1HD   PRO  25          1HD       PRO  25 -10.245  -7.186  13.246
  199   2HD   PRO  25          2HD       PRO  25 -11.212  -5.721  12.980
  200    H    GLU  26           H        GLU  26  -7.385  -6.818  12.386
  201    HA   GLU  26           HA       GLU  26  -4.756  -6.032  12.215
  202   1HB   GLU  26          1HB       GLU  26  -4.191  -8.428  11.930
  203   2HB   GLU  26          2HB       GLU  26  -5.352  -8.143  13.214
  204   1HG   GLU  26          1HG       GLU  26  -6.283  -8.880  10.485
  205   2HG   GLU  26          2HG       GLU  26  -5.703 -10.117  11.594
  206    H    ILE  27           H        ILE  27  -6.913  -6.955   9.629
  207    HA   ILE  27           HA       ILE  27  -4.998  -7.411   7.605
  208    HB   ILE  27           HB       ILE  27  -7.722  -6.217   7.133
  209   1HG1  ILE  27          1HG1      ILE  27  -7.841  -8.150   8.729
  210   2HG1  ILE  27          2HG1      ILE  27  -8.706  -8.398   7.222
  211   1HG2  ILE  27          1HG2      ILE  27  -5.852  -7.929   5.521
  212   2HG2  ILE  27          2HG2      ILE  27  -7.555  -7.734   5.103
  213   3HG2  ILE  27          3HG2      ILE  27  -6.489  -6.330   5.134
  214   1HD1  ILE  27          1HD1      ILE  27  -5.929  -9.382   7.340
  215   2HD1  ILE  27          2HD1      ILE  27  -7.136 -10.230   8.308
  216   3HD1  ILE  27          3HD1      ILE  27  -7.357 -10.072   6.564
  217    H    TYR  28           H        TYR  28  -6.841  -4.525   8.516
  218    HA   TYR  28           HA       TYR  28  -5.801  -2.788   6.575
  219   1HB   TYR  28          1HB       TYR  28  -7.838  -2.366   7.907
  220   2HB   TYR  28          2HB       TYR  28  -6.831  -2.112   9.323
  221    HD1  TYR  28           HD1      TYR  28  -7.126  -0.876   5.821
  222    HD2  TYR  28           HD2      TYR  28  -6.360   0.072   9.891
  223    HE1  TYR  28           HE1      TYR  28  -6.940   1.505   5.223
  224    HE2  TYR  28           HE2      TYR  28  -6.179   2.455   9.311
  225    HH   TYR  28           HH       TYR  28  -6.890   3.986   7.574
  226    H    ARG  29           H        ARG  29  -4.859  -3.305   9.959
  227    HA   ARG  29           HA       ARG  29  -2.838  -1.424  10.153
  228   1HB   ARG  29          1HB       ARG  29  -3.165  -4.123  11.452
  229   2HB   ARG  29          2HB       ARG  29  -1.902  -2.990  11.906
  230   1HG   ARG  29          1HG       ARG  29  -4.847  -2.383  12.005
  231   2HG   ARG  29          2HG       ARG  29  -3.888  -2.928  13.380
  232   1HD   ARG  29          1HD       ARG  29  -2.456  -0.956  13.164
  233   2HD   ARG  29          2HD       ARG  29  -3.407  -0.417  11.782
  234    HE   ARG  29           HE       ARG  29  -5.146  -0.761  13.932
  235   1HH1  ARG  29          1HH1      ARG  29  -2.463   1.266  13.023
  236   2HH1  ARG  29          2HH1      ARG  29  -3.010   2.625  13.947
  237   1HH2  ARG  29          1HH2      ARG  29  -5.874   1.024  15.153
  238   2HH2  ARG  29          2HH2      ARG  29  -4.946   2.487  15.159
  239    H    SER  30           H        SER  30  -2.481  -4.875   9.349
  240    HA   SER  30           HA       SER  30   0.250  -4.893   8.884
  241   1HB   SER  30          1HB       SER  30  -1.084  -6.943   9.003
  242   2HB   SER  30          2HB       SER  30  -1.884  -6.526   7.487
  243    HG   SER  30           HG       SER  30   0.812  -7.253   7.918
  244    H    PHE  31           H        PHE  31  -2.382  -4.161   6.623
  245    HA   PHE  31           HA       PHE  31  -0.914  -3.893   4.279
  246   1HB   PHE  31          1HB       PHE  31  -3.327  -3.857   4.245
  247   2HB   PHE  31          2HB       PHE  31  -3.367  -2.405   5.239
  248    HD1  PHE  31           HD1      PHE  31  -1.967  -3.581   1.984
  249    HD2  PHE  31           HD2      PHE  31  -3.727  -0.398   4.201
  250    HE1  PHE  31           HE1      PHE  31  -2.009  -2.194  -0.049
  251    HE2  PHE  31           HE2      PHE  31  -3.775   0.992   2.167
  252    HZ   PHE  31           HZ       PHE  31  -2.916   0.094   0.040
  253    H    LEU  32           H        LEU  32  -1.650  -1.478   6.760
  254    HA   LEU  32           HA       LEU  32  -0.396   0.701   5.526
  255   1HB   LEU  32          1HB       LEU  32  -0.787   0.215   8.472
  256   2HB   LEU  32          2HB       LEU  32  -0.487   1.765   7.712
  257    HG   LEU  32           HG       LEU  32  -2.945   0.052   7.347
  258   1HD1  LEU  32          1HD1      LEU  32  -2.323   2.479   8.970
  259   2HD1  LEU  32          2HD1      LEU  32  -3.957   2.208   8.362
  260   3HD1  LEU  32          3HD1      LEU  32  -3.203   1.019   9.424
  261   1HD2  LEU  32          1HD2      LEU  32  -1.921   2.447   5.935
  262   2HD2  LEU  32          2HD2      LEU  32  -2.892   1.104   5.333
  263   3HD2  LEU  32          3HD2      LEU  32  -3.647   2.379   6.288
  264    H    GLU  33           H        GLU  33   0.859  -1.576   7.979
  265    HA   GLU  33           HA       GLU  33   3.378  -0.329   8.208
  266   1HB   GLU  33          1HB       GLU  33   4.146  -2.360   9.285
  267   2HB   GLU  33          2HB       GLU  33   2.535  -1.959   9.860
  268   1HG   GLU  33          1HG       GLU  33   1.583  -3.654   8.395
  269   2HG   GLU  33          2HG       GLU  33   3.194  -4.046   7.795
  270    H    ILE  34           H        ILE  34   2.044  -2.412   5.778
  271    HA   ILE  34           HA       ILE  34   4.487  -3.354   4.680
  272    HB   ILE  34           HB       ILE  34   1.786  -2.971   3.398
  273   1HG1  ILE  34          1HG1      ILE  34   3.206  -5.460   4.361
  274   2HG1  ILE  34          2HG1      ILE  34   1.965  -4.606   5.271
  275   1HG2  ILE  34          1HG2      ILE  34   4.381  -3.934   2.307
  276   2HG2  ILE  34          2HG2      ILE  34   2.910  -4.774   1.813
  277   3HG2  ILE  34          3HG2      ILE  34   3.081  -3.045   1.513
  278   1HD1  ILE  34          1HD1      ILE  34   1.535  -5.764   2.543
  279   2HD1  ILE  34          2HD1      ILE  34   1.180  -6.615   4.045
  280   3HD1  ILE  34          3HD1      ILE  34   0.320  -5.127   3.652
  281    H    LEU  35           H        LEU  35   2.274  -0.761   3.620
  282    HA   LEU  35           HA       LEU  35   3.965   0.348   1.667
  283   1HB   LEU  35          1HB       LEU  35   1.846   1.671   3.375
  284   2HB   LEU  35          2HB       LEU  35   2.593   2.413   1.968
  285    HG   LEU  35           HG       LEU  35   0.969  -0.134   1.878
  286   1HD1  LEU  35          1HD1      LEU  35   0.204   2.718   1.785
  287   2HD1  LEU  35          2HD1      LEU  35  -0.533   1.663   0.579
  288   3HD1  LEU  35          3HD1      LEU  35  -0.724   1.308   2.296
  289   1HD2  LEU  35          1HD2      LEU  35   2.758   0.997   0.038
  290   2HD2  LEU  35          2HD2      LEU  35   1.600  -0.303  -0.248
  291   3HD2  LEU  35          3HD2      LEU  35   1.141   1.372  -0.563
  292    H    HIS  36           H        HIS  36   3.602   0.921   5.100
  293    HA   HIS  36           HA       HIS  36   5.295   3.138   5.387
  294   1HB   HIS  36          1HB       HIS  36   3.992   1.164   7.118
  295   2HB   HIS  36          2HB       HIS  36   5.491   1.787   7.783
  296    HD1  HIS  36           HD1      HIS  36   5.477   4.670   7.340
  297    HD2  HIS  36           HD2      HIS  36   1.951   2.605   8.079
  298    HE1  HIS  36           HE1      HIS  36   3.857   6.393   8.191
  299    HE2  HIS  36           HE2      HIS  36   1.720   5.126   8.617
  300    H    THR  37           H        THR  37   5.941  -0.327   5.785
  301    HA   THR  37           HA       THR  37   8.590  -0.244   6.554
  302    HB   THR  37           HB       THR  37   7.160  -2.272   4.831
  303    HG1  THR  37           HG1      THR  37   7.493  -1.839   7.560
  304   1HG2  THR  37          1HG2      THR  37   9.984  -2.063   5.503
  305   2HG2  THR  37          2HG2      THR  37   9.265  -3.575   6.059
  306   3HG2  THR  37          3HG2      THR  37   9.171  -3.128   4.356
  307    H    TYR  38           H        TYR  38   7.212  -0.128   3.302
  308    HA   TYR  38           HA       TYR  38   9.521  -0.290   1.793
  309   1HB   TYR  38          1HB       TYR  38   7.458  -0.342   0.657
  310   2HB   TYR  38          2HB       TYR  38   6.959   1.185   1.359
  311    HD1  TYR  38           HD1      TYR  38   9.528  -0.260  -0.912
  312    HD2  TYR  38           HD2      TYR  38   7.228   3.153   0.165
  313    HE1  TYR  38           HE1      TYR  38  10.411   0.941  -2.868
  314    HE2  TYR  38           HE2      TYR  38   8.099   4.364  -1.789
  315    HH   TYR  38           HH       TYR  38   9.803   2.817  -4.307
  316    H    GLN  39           H        GLN  39   8.037   2.550   3.288
  317    HA   GLN  39           HA       GLN  39   9.954   4.389   2.261
  318   1HB   GLN  39          1HB       GLN  39   7.760   4.525   4.285
  319   2HB   GLN  39          2HB       GLN  39   8.922   5.841   4.176
  320   1HG   GLN  39          1HG       GLN  39   7.447   4.831   1.772
  321   2HG   GLN  39          2HG       GLN  39   6.770   6.050   2.846
  322   2HE2  GLN  39          2HE2      GLN  39   9.712   6.872   3.264
  323   1HE2  GLN  39          1HE2      GLN  39  10.022   7.910   1.917
  324    H    LYS  40           H        LYS  40   9.600   2.678   5.337
  325    HA   LYS  40           HA       LYS  40  11.528   4.020   6.819
  326   1HB   LYS  40          1HB       LYS  40  10.839   1.078   6.925
  327   2HB   LYS  40          2HB       LYS  40  11.672   1.981   8.182
  328   1HG   LYS  40          1HG       LYS  40   8.860   2.505   7.237
  329   2HG   LYS  40          2HG       LYS  40   9.303   1.620   8.697
  330   1HD   LYS  40          1HD       LYS  40  10.013   4.498   8.125
  331   2HD   LYS  40          2HD       LYS  40   8.683   3.966   9.154
  332   1HE   LYS  40          1HE       LYS  40  10.286   2.838  10.627
  333   2HE   LYS  40          2HE       LYS  40  11.610   3.389   9.601
  334   1HZ   LYS  40          1HZ       LYS  40  10.197   5.657  10.216
  335   2HZ   LYS  40          2HZ       LYS  40  10.230   4.784  11.663
  336   3HZ   LYS  40          3HZ       LYS  40  11.678   5.181  10.884
  337    H    GLU  41           H        GLU  41  12.045   0.827   5.309
  338    HA   GLU  41           HA       GLU  41  14.900   1.209   5.360
  339   1HB   GLU  41          1HB       GLU  41  14.955  -1.050   4.308
  340   2HB   GLU  41          2HB       GLU  41  14.068  -0.991   5.825
  341   1HG   GLU  41          1HG       GLU  41  11.961  -0.891   4.562
  342   2HG   GLU  41          2HG       GLU  41  12.877  -1.027   3.062
  343    H    GLN  42           H        GLN  42  13.583   3.146   3.755
  344    HA   GLN  42           HA       GLN  42  14.156   2.348   1.002
  345   1HB   GLN  42          1HB       GLN  42  12.048   3.527   1.431
  346   2HB   GLN  42          2HB       GLN  42  12.939   4.895   2.085
  347   1HG   GLN  42          1HG       GLN  42  14.024   5.175  -0.128
  348   2HG   GLN  42          2HG       GLN  42  12.985   3.895  -0.752
  349   2HE2  GLN  42          2HE2      GLN  42  11.239   5.507   1.527
  350   1HE2  GLN  42          1HE2      GLN  42  10.419   6.636   0.512
  351    H    LEU  43           H        LEU  43  15.119   4.785   3.386
  352    HA   LEU  43           HA       LEU  43  16.877   6.280   1.888
  353   1HB   LEU  43          1HB       LEU  43  17.205   5.486   4.767
  354   2HB   LEU  43          2HB       LEU  43  17.989   6.844   3.987
  355    HG   LEU  43           HG       LEU  43  15.013   6.552   4.389
  356   1HD1  LEU  43          1HD1      LEU  43  16.367   6.919   6.464
  357   2HD1  LEU  43          2HD1      LEU  43  16.918   8.439   5.757
  358   3HD1  LEU  43          3HD1      LEU  43  15.205   8.197   6.101
  359   1HD2  LEU  43          1HD2      LEU  43  16.462   8.133   2.568
  360   2HD2  LEU  43          2HD2      LEU  43  14.746   8.228   2.963
  361   3HD2  LEU  43          3HD2      LEU  43  15.909   9.212   3.849
  362    H    HIS  44           H        HIS  44  17.576   3.321   3.714
  363    HA   HIS  44           HA       HIS  44  19.471   2.363   1.881
  364   1HB   HIS  44          1HB       HIS  44  21.531   2.616   3.285
  365   2HB   HIS  44          2HB       HIS  44  20.936   4.123   2.602
  366    HD1  HIS  44           HD1      HIS  44  22.660   4.763   4.767
  367    HD2  HIS  44           HD2      HIS  44  18.756   3.579   5.557
  368    HE1  HIS  44           HE1      HIS  44  22.156   5.609   7.080
  369    HE2  HIS  44           HE2      HIS  44  19.758   4.964   7.498
  370    H    THR  45           H        THR  45  17.346   1.221   3.086
  371    HA   THR  45           HA       THR  45  16.613  -0.606   4.198
  372    HB   THR  45           HB       THR  45  18.147  -2.496   4.490
  373    HG1  THR  45           HG1      THR  45  20.336  -1.628   3.306
  374   1HG2  THR  45          1HG2      THR  45  17.344  -1.340   2.117
  375   2HG2  THR  45          2HG2      THR  45  19.063  -1.643   1.864
  376   3HG2  THR  45          3HG2      THR  45  17.991  -2.970   2.310
  377    H    LYS  46           H        LYS  46  15.996  -0.967   6.215
  378    HA   LYS  46           HA       LYS  46  17.864  -0.638   8.427
  379   1HB   LYS  46          1HB       LYS  46  15.270   0.912   8.247
  380   2HB   LYS  46          2HB       LYS  46  16.307   0.833   9.664
  381   1HG   LYS  46          1HG       LYS  46  17.083   1.991   6.995
  382   2HG   LYS  46          2HG       LYS  46  16.598   2.915   8.417
  383   1HD   LYS  46          1HD       LYS  46  18.982   1.069   8.264
  384   2HD   LYS  46          2HD       LYS  46  19.046   2.828   8.134
  385   1HE   LYS  46          1HE       LYS  46  18.123   3.026  10.393
  386   2HE   LYS  46          2HE       LYS  46  18.058   1.269  10.521
  387   1HZ   LYS  46          1HZ       LYS  46  20.616   1.639   9.870
  388   2HZ   LYS  46          2HZ       LYS  46  20.326   3.059  10.744
  389   3HZ   LYS  46          3HZ       LYS  46  20.060   1.553  11.465
  390    H    GLY  47           H        GLY  47  17.441  -1.999  10.101
  391   1HA   GLY  47          1HA       GLY  47  14.854  -3.050  10.660
  392   2HA   GLY  47          2HA       GLY  47  16.366  -3.587  11.374
  393    H    ARG  48           H        ARG  48  13.892  -4.285   9.166
  394    HA   ARG  48           HA       ARG  48  14.502  -6.948   8.847
  395   1HB   ARG  48          1HB       ARG  48  12.974  -5.140   6.971
  396   2HB   ARG  48          2HB       ARG  48  12.977  -6.895   6.875
  397   1HG   ARG  48          1HG       ARG  48  11.994  -7.022   9.108
  398   2HG   ARG  48          2HG       ARG  48  11.980  -5.260   9.196
  399   1HD   ARG  48          1HD       ARG  48  10.477  -5.158   7.287
  400   2HD   ARG  48          2HD       ARG  48  10.528  -6.913   7.134
  401    HE   ARG  48           HE       ARG  48   8.833  -5.444   8.825
  402   1HH1  ARG  48          1HH1      ARG  48  10.831  -8.305   8.855
  403   2HH1  ARG  48          2HH1      ARG  48   9.875  -9.112  10.054
  404   1HH2  ARG  48          1HH2      ARG  48   7.575  -6.502  10.401
  405   2HH2  ARG  48          2HH2      ARG  48   8.024  -8.089  10.929
  406    HA   PRO  49           HA       PRO  49  17.958  -7.152   6.088
  407   1HB   PRO  49          1HB       PRO  49  17.513  -9.666   5.089
  408   2HB   PRO  49          2HB       PRO  49  18.204  -9.354   6.680
  409   1HG   PRO  49          1HG       PRO  49  15.383 -10.007   5.930
  410   2HG   PRO  49          2HG       PRO  49  16.360 -10.636   7.270
  411   1HD   PRO  49          1HD       PRO  49  14.519  -8.725   7.651
  412   2HD   PRO  49          2HD       PRO  49  16.045  -8.739   8.558
  413    H    PHE  50           H        PHE  50  17.924  -8.689   3.708
  414    HA   PHE  50           HA       PHE  50  17.216  -8.722   1.530
  415   1HB   PHE  50          1HB       PHE  50  14.887  -8.469   2.365
  416   2HB   PHE  50          2HB       PHE  50  15.107  -6.726   2.357
  417    HD1  PHE  50           HD1      PHE  50  16.271  -9.160  -0.197
  418    HD2  PHE  50           HD2      PHE  50  13.534  -6.045   0.769
  419    HE1  PHE  50           HE1      PHE  50  15.527  -9.091  -2.541
  420    HE2  PHE  50           HE2      PHE  50  12.787  -5.972  -1.573
  421    HZ   PHE  50           HZ       PHE  50  13.784  -7.494  -3.231
  422    H    ARG  51           H        ARG  51  17.954  -7.589  -0.218
  423    HA   ARG  51           HA       ARG  51  19.591  -5.313   0.360
  424   1HB   ARG  51          1HB       ARG  51  20.184  -7.188  -1.168
  425   2HB   ARG  51          2HB       ARG  51  19.047  -6.541  -2.335
  426   1HG   ARG  51          1HG       ARG  51  20.334  -4.482  -2.447
  427   2HG   ARG  51          2HG       ARG  51  21.452  -5.115  -1.239
  428   1HD   ARG  51          1HD       ARG  51  22.010  -6.967  -2.774
  429   2HD   ARG  51          2HD       ARG  51  20.958  -6.245  -3.990
  430    HE   ARG  51           HE       ARG  51  22.819  -4.321  -3.175
  431   1HH1  ARG  51          1HH1      ARG  51  22.721  -7.348  -4.903
  432   2HH1  ARG  51          2HH1      ARG  51  24.110  -6.986  -5.872
  433   1HH2  ARG  51          1HH2      ARG  51  24.649  -3.840  -4.446
  434   2HH2  ARG  51          2HH2      ARG  51  25.205  -4.993  -5.613
  435    H    GLY  52           H        GLY  52  17.249  -4.433   0.948
  436   1HA   GLY  52          1HA       GLY  52  16.804  -2.318  -0.990
  437   2HA   GLY  52          2HA       GLY  52  16.169  -2.380   0.645
  438    H    MET  53           H        MET  53  14.085  -2.387   0.679
  439    HA   MET  53           HA       MET  53  12.551  -4.229  -0.938
  440   1HB   MET  53          1HB       MET  53  11.849  -4.224   1.270
  441   2HB   MET  53          2HB       MET  53  11.992  -2.491   1.394
  442   1HG   MET  53          1HG       MET  53  10.020  -2.255  -0.079
  443   2HG   MET  53          2HG       MET  53   9.857  -4.011  -0.063
  444   1HE   MET  53          1HE       MET  53   7.406  -3.602   0.638
  445   2HE   MET  53          2HE       MET  53   6.884  -3.040   2.227
  446   3HE   MET  53          3HE       MET  53   7.446  -1.880   1.022
  447    H    SER  54           H        SER  54  10.975  -3.643  -2.438
  448    HA   SER  54           HA       SER  54  10.629  -0.808  -3.030
  449   1HB   SER  54          1HB       SER  54  11.134  -1.141  -5.429
  450   2HB   SER  54          2HB       SER  54  12.541  -1.449  -4.411
  451    HG   SER  54           HG       SER  54  11.252  -3.734  -4.652
  452    H    GLU  55           H        GLU  55   9.435  -1.386  -5.626
  453    HA   GLU  55           HA       GLU  55   6.780  -1.742  -4.857
  454   1HB   GLU  55          1HB       GLU  55   8.006  -2.122  -7.594
  455   2HB   GLU  55          2HB       GLU  55   6.285  -1.970  -7.270
  456   1HG   GLU  55          1HG       GLU  55   6.889   0.152  -7.960
  457   2HG   GLU  55          2HG       GLU  55   6.893   0.285  -6.204
  458    H    GLU  56           H        GLU  56   9.133  -4.061  -6.079
  459    HA   GLU  56           HA       GLU  56   7.428  -6.203  -6.580
  460   1HB   GLU  56          1HB       GLU  56   9.424  -7.632  -6.275
  461   2HB   GLU  56          2HB       GLU  56   9.735  -6.238  -7.298
  462   1HG   GLU  56          1HG       GLU  56  10.793  -5.094  -5.411
  463   2HG   GLU  56          2HG       GLU  56  10.490  -6.504  -4.396
  464    H    GLU  57           H        GLU  57   9.091  -5.321  -3.559
  465    HA   GLU  57           HA       GLU  57   8.027  -7.539  -2.114
  466   1HB   GLU  57          1HB       GLU  57  10.110  -6.608  -1.394
  467   2HB   GLU  57          2HB       GLU  57   9.400  -5.012  -1.209
  468   1HG   GLU  57          1HG       GLU  57   8.336  -5.558   0.750
  469   2HG   GLU  57          2HG       GLU  57   8.330  -7.287   0.395
  470    H    VAL  58           H        VAL  58   7.166  -4.089  -2.287
  471    HA   VAL  58           HA       VAL  58   5.227  -4.004  -0.311
  472    HB   VAL  58           HB       VAL  58   5.091  -2.573  -2.972
  473   1HG1  VAL  58          1HG1      VAL  58   3.085  -2.691  -1.254
  474   2HG1  VAL  58          2HG1      VAL  58   4.019  -1.434  -0.445
  475   3HG1  VAL  58          3HG1      VAL  58   3.483  -1.202  -2.109
  476   1HG2  VAL  58          1HG2      VAL  58   6.986  -2.349  -0.867
  477   2HG2  VAL  58          2HG2      VAL  58   6.853  -1.385  -2.337
  478   3HG2  VAL  58          3HG2      VAL  58   5.994  -0.892  -0.878
  479    H    PHE  59           H        PHE  59   4.846  -4.874  -3.730
  480    HA   PHE  59           HA       PHE  59   2.077  -5.375  -3.631
  481   1HB   PHE  59          1HB       PHE  59   3.270  -5.036  -5.741
  482   2HB   PHE  59          2HB       PHE  59   4.183  -6.519  -5.481
  483    HD1  PHE  59           HD1      PHE  59   0.555  -5.649  -5.249
  484    HD2  PHE  59           HD2      PHE  59   3.552  -8.131  -6.971
  485    HE1  PHE  59           HE1      PHE  59  -1.186  -6.928  -6.427
  486    HE2  PHE  59           HE2      PHE  59   1.817  -9.414  -8.152
  487    HZ   PHE  59           HZ       PHE  59  -0.556  -8.813  -7.881
  488    H    THR  60           H        THR  60   4.872  -7.339  -2.866
  489    HA   THR  60           HA       THR  60   3.584  -9.850  -2.845
  490    HB   THR  60           HB       THR  60   6.039  -8.935  -1.336
  491    HG1  THR  60           HG1      THR  60   6.945 -10.317  -3.162
  492   1HG2  THR  60          1HG2      THR  60   4.561 -11.354  -1.105
  493   2HG2  THR  60          2HG2      THR  60   6.079 -11.715  -1.929
  494   3HG2  THR  60          3HG2      THR  60   6.099 -10.928  -0.351
  495    H    GLU  61           H        GLU  61   4.545  -7.798  -0.088
  496    HA   GLU  61           HA       GLU  61   3.331  -9.298   1.902
  497   1HB   GLU  61          1HB       GLU  61   3.813  -6.317   1.830
  498   2HB   GLU  61          2HB       GLU  61   3.453  -7.251   3.276
  499   1HG   GLU  61          1HG       GLU  61   5.512  -8.531   2.956
  500   2HG   GLU  61          2HG       GLU  61   5.874  -7.580   1.517
  501    H    VAL  62           H        VAL  62   2.012  -6.569   0.035
  502    HA   VAL  62           HA       VAL  62  -0.463  -6.463   1.393
  503    HB   VAL  62           HB       VAL  62   0.166  -5.629  -1.444
  504   1HG1  VAL  62          1HG1      VAL  62  -2.240  -5.258   0.298
  505   2HG1  VAL  62          2HG1      VAL  62  -1.826  -4.051  -0.919
  506   3HG1  VAL  62          3HG1      VAL  62  -2.150  -5.715  -1.403
  507   1HG2  VAL  62          1HG2      VAL  62   1.336  -4.610   0.719
  508   2HG2  VAL  62          2HG2      VAL  62   0.879  -3.617  -0.664
  509   3HG2  VAL  62          3HG2      VAL  62  -0.159  -3.675   0.760
  510    H    ALA  63           H        ALA  63   0.587  -8.193  -1.521
  511    HA   ALA  63           HA       ALA  63  -1.913  -9.259  -2.234
  512   1HB   ALA  63          1HB       ALA  63  -0.519 -11.040  -3.388
  513   2HB   ALA  63          2HB       ALA  63   0.897 -10.205  -2.746
  514   3HB   ALA  63          3HB       ALA  63  -0.195  -9.369  -3.851
  515    H    ASN  64           H        ASN  64   0.620 -10.418  -0.076
  516    HA   ASN  64           HA       ASN  64  -0.429 -12.947   0.505
  517   1HB   ASN  64          1HB       ASN  64   1.322 -11.051   2.069
  518   2HB   ASN  64          2HB       ASN  64   0.860 -12.631   2.701
  519   2HD2  ASN  64          2HD2      ASN  64   3.289 -11.075   1.281
  520   1HD2  ASN  64          1HD2      ASN  64   4.014 -12.361   0.383
  521    H    LEU  65           H        LEU  65  -1.071  -9.779   1.879
  522    HA   LEU  65           HA       LEU  65  -2.760 -10.615   3.998
  523   1HB   LEU  65          1HB       LEU  65  -1.934  -8.138   2.708
  524   2HB   LEU  65          2HB       LEU  65  -3.607  -8.095   3.222
  525    HG   LEU  65           HG       LEU  65  -1.282  -8.726   5.034
  526   1HD1  LEU  65          1HD1      LEU  65  -2.088  -6.283   3.919
  527   2HD1  LEU  65          2HD1      LEU  65  -2.664  -6.280   5.588
  528   3HD1  LEU  65          3HD1      LEU  65  -0.953  -6.541   5.245
  529   1HD2  LEU  65          1HD2      LEU  65  -4.227  -8.670   5.344
  530   2HD2  LEU  65          2HD2      LEU  65  -3.015  -9.628   6.196
  531   3HD2  LEU  65          3HD2      LEU  65  -3.278  -7.942   6.642
  532    H    PHE  66           H        PHE  66  -3.506  -9.029   0.936
  533    HA   PHE  66           HA       PHE  66  -6.301  -9.499   1.058
  534   1HB   PHE  66          1HB       PHE  66  -4.483  -8.661  -1.200
  535   2HB   PHE  66          2HB       PHE  66  -6.232  -8.734  -1.342
  536    HD1  PHE  66           HD1      PHE  66  -5.130  -7.682   1.908
  537    HD2  PHE  66           HD2      PHE  66  -5.901  -6.342  -2.060
  538    HE1  PHE  66           HE1      PHE  66  -5.277  -5.367   2.724
  539    HE2  PHE  66           HE2      PHE  66  -6.055  -4.022  -1.246
  540    HZ   PHE  66           HZ       PHE  66  -5.742  -3.534   1.148
  541    H    ARG  67           H        ARG  67  -4.821 -12.000   1.296
  542    HA   ARG  67           HA       ARG  67  -4.835 -13.426  -1.130
  543   1HB   ARG  67          1HB       ARG  67  -3.628 -14.225   0.852
  544   2HB   ARG  67          2HB       ARG  67  -5.156 -14.457   1.697
  545   1HG   ARG  67          1HG       ARG  67  -5.800 -16.148   0.033
  546   2HG   ARG  67          2HG       ARG  67  -4.237 -15.939  -0.760
  547   1HD   ARG  67          1HD       ARG  67  -4.678 -16.861   2.079
  548   2HD   ARG  67          2HD       ARG  67  -4.239 -17.889   0.715
  549    HE   ARG  67           HE       ARG  67  -2.329 -15.858   0.935
  550   1HH1  ARG  67          1HH1      ARG  67  -3.442 -18.654   2.695
  551   2HH1  ARG  67          2HH1      ARG  67  -1.903 -18.963   3.428
  552   1HH2  ARG  67          1HH2      ARG  67  -0.301 -16.259   1.895
  553   2HH2  ARG  67          2HH2      ARG  67  -0.118 -17.602   2.973
  554    H    GLY  68           H        GLY  68  -6.494 -13.977  -2.357
  555   1HA   GLY  68          1HA       GLY  68  -9.010 -14.797  -1.119
  556   2HA   GLY  68          2HA       GLY  68  -8.569 -14.996  -2.810
  557    H    GLN  69           H        GLN  69  -8.424 -12.029  -0.874
  558    HA   GLN  69           HA       GLN  69 -10.788 -10.952  -2.164
  559   1HB   GLN  69          1HB       GLN  69  -8.850  -9.588  -0.282
  560   2HB   GLN  69          2HB       GLN  69 -10.414  -8.964  -0.788
  561   1HG   GLN  69          1HG       GLN  69 -10.893  -9.817   1.285
  562   2HG   GLN  69          2HG       GLN  69 -11.336 -11.160   0.233
  563   2HE2  GLN  69          2HE2      GLN  69  -7.990 -10.639   0.467
  564   1HE2  GLN  69          1HE2      GLN  69  -7.632 -11.896   1.595
  565    H    GLU  70           H        GLU  70  -9.194 -11.536  -4.155
  566    HA   GLU  70           HA       GLU  70  -7.233  -9.700  -4.925
  567   1HB   GLU  70          1HB       GLU  70  -9.073 -11.346  -6.670
  568   2HB   GLU  70          2HB       GLU  70  -7.588 -10.571  -7.203
  569   1HG   GLU  70          1HG       GLU  70  -6.307 -11.965  -5.659
  570   2HG   GLU  70          2HG       GLU  70  -7.798 -12.743  -5.133
  571    H    ASP  71           H        ASP  71 -10.514  -9.099  -4.517
  572    HA   ASP  71           HA       ASP  71 -11.051  -7.433  -6.727
  573   1HB   ASP  71          1HB       ASP  71 -12.847  -6.467  -5.244
  574   2HB   ASP  71          2HB       ASP  71 -12.909  -8.209  -5.471
  575    H    LEU  72           H        LEU  72  -9.893  -6.661  -3.449
  576    HA   LEU  72           HA       LEU  72  -9.562  -3.871  -4.003
  577   1HB   LEU  72          1HB       LEU  72  -8.325  -5.582  -1.836
  578   2HB   LEU  72          2HB       LEU  72  -8.328  -3.829  -1.874
  579    HG   LEU  72           HG       LEU  72 -10.815  -5.526  -1.702
  580   1HD1  LEU  72          1HD1      LEU  72  -9.069  -5.452   0.270
  581   2HD1  LEU  72          2HD1      LEU  72  -9.811  -3.879   0.563
  582   3HD1  LEU  72          3HD1      LEU  72 -10.802  -5.338   0.575
  583   1HD2  LEU  72          1HD2      LEU  72 -10.796  -3.111  -2.685
  584   2HD2  LEU  72          2HD2      LEU  72 -12.021  -3.566  -1.500
  585   3HD2  LEU  72          3HD2      LEU  72 -10.613  -2.628  -0.999
  586    H    LEU  73           H        LEU  73  -7.476  -6.684  -3.828
  587    HA   LEU  73           HA       LEU  73  -4.988  -5.590  -4.209
  588   1HB   LEU  73          1HB       LEU  73  -5.638  -7.948  -3.705
  589   2HB   LEU  73          2HB       LEU  73  -5.977  -8.148  -5.411
  590    HG   LEU  73           HG       LEU  73  -3.750  -8.143  -5.994
  591   1HD1  LEU  73          1HD1      LEU  73  -3.357  -6.472  -3.538
  592   2HD1  LEU  73          2HD1      LEU  73  -1.995  -7.343  -4.244
  593   3HD1  LEU  73          3HD1      LEU  73  -2.865  -6.142  -5.199
  594   1HD2  LEU  73          1HD2      LEU  73  -4.519  -9.541  -3.640
  595   2HD2  LEU  73          2HD2      LEU  73  -3.444 -10.064  -4.939
  596   3HD2  LEU  73          3HD2      LEU  73  -2.798  -9.158  -3.568
  597    H    SER  74           H        SER  74  -7.483  -6.316  -6.588
  598    HA   SER  74           HA       SER  74  -6.007  -6.055  -8.929
  599   1HB   SER  74          1HB       SER  74  -8.328  -6.856  -8.900
  600   2HB   SER  74          2HB       SER  74  -8.885  -5.249  -8.438
  601    HG   SER  74           HG       SER  74  -8.177  -6.219 -10.896
  602    H    GLU  75           H        GLU  75  -7.633  -3.576  -6.984
  603    HA   GLU  75           HA       GLU  75  -7.009  -1.412  -8.702
  604   1HB   GLU  75          1HB       GLU  75  -7.632  -1.420  -5.743
  605   2HB   GLU  75          2HB       GLU  75  -7.596   0.012  -6.761
  606   1HG   GLU  75          1HG       GLU  75  -9.403  -0.982  -8.135
  607   2HG   GLU  75          2HG       GLU  75  -9.483  -2.321  -6.992
  608    H    PHE  76           H        PHE  76  -5.410  -2.793  -5.868
  609    HA   PHE  76           HA       PHE  76  -3.388  -0.888  -5.544
  610   1HB   PHE  76          1HB       PHE  76  -3.888  -2.699  -3.927
  611   2HB   PHE  76          2HB       PHE  76  -3.218  -3.871  -5.056
  612    HD1  PHE  76           HD1      PHE  76  -1.982  -0.517  -3.981
  613    HD2  PHE  76           HD2      PHE  76  -1.304  -4.718  -4.105
  614    HE1  PHE  76           HE1      PHE  76   0.242  -0.184  -2.988
  615    HE2  PHE  76           HE2      PHE  76   0.923  -4.393  -3.110
  616    HZ   PHE  76           HZ       PHE  76   1.696  -2.121  -2.550
  617    H    GLY  77           H        GLY  77  -3.490  -3.818  -7.527
  618   1HA   GLY  77          1HA       GLY  77  -2.203  -4.535  -9.279
  619   2HA   GLY  77          2HA       GLY  77  -0.861  -3.705  -8.507
  620    H    GLN  78           H        GLN  78  -3.832  -2.199  -9.675
  621    HA   GLN  78           HA       GLN  78  -3.029  -1.419 -12.201
  622   1HB   GLN  78          1HB       GLN  78  -4.806   0.023 -10.231
  623   2HB   GLN  78          2HB       GLN  78  -4.632   0.494 -11.915
  624   1HG   GLN  78          1HG       GLN  78  -5.472  -1.701 -12.606
  625   2HG   GLN  78          2HG       GLN  78  -5.669  -2.148 -10.913
  626   2HE2  GLN  78          2HE2      GLN  78  -7.712  -2.091 -10.343
  627   1HE2  GLN  78          1HE2      GLN  78  -8.881  -0.919 -10.839
  628    H    PHE  79           H        PHE  79  -2.545   0.337  -9.134
  629    HA   PHE  79           HA       PHE  79  -1.206   2.536 -10.305
  630   1HB   PHE  79          1HB       PHE  79  -1.264   1.450  -7.492
  631   2HB   PHE  79          2HB       PHE  79  -0.331   2.878  -7.927
  632    HD1  PHE  79           HD1      PHE  79  -3.769   1.688  -8.807
  633    HD2  PHE  79           HD2      PHE  79  -1.343   4.766  -7.145
  634    HE1  PHE  79           HE1      PHE  79  -5.764   3.094  -8.505
  635    HE2  PHE  79           HE2      PHE  79  -3.334   6.175  -6.841
  636    HZ   PHE  79           HZ       PHE  79  -5.549   5.342  -7.522
  637    H    LEU  80           H        LEU  80  -0.038  -0.443  -8.790
  638    HA   LEU  80           HA       LEU  80   2.717   0.145  -9.029
  639   1HB   LEU  80          1HB       LEU  80   1.395  -2.567  -8.950
  640   2HB   LEU  80          2HB       LEU  80   3.071  -2.216  -8.579
  641    HG   LEU  80           HG       LEU  80   0.682  -1.290  -6.982
  642   1HD1  LEU  80          1HD1      LEU  80   2.692  -3.483  -6.603
  643   2HD1  LEU  80          2HD1      LEU  80   1.796  -2.792  -5.251
  644   3HD1  LEU  80          3HD1      LEU  80   0.931  -3.580  -6.569
  645   1HD2  LEU  80          1HD2      LEU  80   2.669   0.264  -7.028
  646   2HD2  LEU  80          2HD2      LEU  80   2.200  -0.335  -5.435
  647   3HD2  LEU  80          3HD2      LEU  80   3.592  -1.031  -6.265
  648    HA   PRO  81           HA       PRO  81   3.194  -0.496 -13.412
  649   1HB   PRO  81          1HB       PRO  81   5.901  -0.658 -13.496
  650   2HB   PRO  81          2HB       PRO  81   5.042   0.871 -13.279
  651   1HG   PRO  81          1HG       PRO  81   6.336  -0.884 -11.225
  652   2HG   PRO  81          2HG       PRO  81   6.392   0.882 -11.383
  653   1HD   PRO  81          1HD       PRO  81   4.758  -0.366  -9.624
  654   2HD   PRO  81          2HD       PRO  81   4.317   1.161 -10.414
  655    H    GLU  82           H        GLU  82   2.815  -2.358 -14.430
  656    HA   GLU  82           HA       GLU  82   3.721  -4.866 -13.304
  657   1HB   GLU  82          1HB       GLU  82   1.419  -4.551 -14.240
  658   2HB   GLU  82          2HB       GLU  82   2.138  -4.391 -15.836
  659   1HG   GLU  82          1HG       GLU  82   1.289  -6.616 -15.555
  660   2HG   GLU  82          2HG       GLU  82   3.050  -6.667 -15.628
  661    H    ALA  83           H        ALA  83   5.925  -3.517 -13.951
  662    HA   ALA  83           HA       ALA  83   6.869  -3.862 -16.594
  663   1HB   ALA  83          1HB       ALA  83   7.763  -2.600 -14.287
  664   2HB   ALA  83          2HB       ALA  83   8.570  -2.635 -15.855
  665   3HB   ALA  83          3HB       ALA  83   8.983  -3.828 -14.624
  666    H    LYS  84           H        LYS  84   9.498  -5.015 -15.479
  667    HA   LYS  84           HA       LYS  84   9.193  -7.616 -16.470
  668   1HB   LYS  84          1HB       LYS  84  11.349  -6.460 -16.414
  669   2HB   LYS  84          2HB       LYS  84  11.341  -6.504 -14.656
  670   1HG   LYS  84          1HG       LYS  84  11.480  -8.922 -14.685
  671   2HG   LYS  84          2HG       LYS  84  11.396  -8.925 -16.447
  672   1HD   LYS  84          1HD       LYS  84  13.686  -9.203 -15.827
  673   2HD   LYS  84          2HD       LYS  84  13.501  -7.572 -16.468
  674   1HE   LYS  84          1HE       LYS  84  13.498  -8.263 -13.533
  675   2HE   LYS  84          2HE       LYS  84  14.913  -7.707 -14.422
  676   1HZ   LYS  84          1HZ       LYS  84  13.350  -5.747 -15.041
  677   2HZ   LYS  84          2HZ       LYS  84  12.496  -6.220 -13.659
  678   3HZ   LYS  84          3HZ       LYS  84  14.120  -5.764 -13.536
  679    H    ARG  85           H        ARG  85   9.009  -9.608 -15.498
  680    HA   ARG  85           HA       ARG  85   7.396  -9.858 -13.250
  681   1HB   ARG  85          1HB       ARG  85   7.661 -11.615 -14.951
  682   2HB   ARG  85          2HB       ARG  85   9.309 -11.896 -14.410
  683   1HG   ARG  85          1HG       ARG  85   8.452 -12.593 -12.215
  684   2HG   ARG  85          2HG       ARG  85   6.804 -12.355 -12.801
  685   1HD   ARG  85          1HD       ARG  85   7.203 -14.033 -14.552
  686   2HD   ARG  85          2HD       ARG  85   8.832 -14.286 -13.927
  687    HE   ARG  85           HE       ARG  85   6.994 -14.681 -11.846
  688   1HH1  ARG  85          1HH1      ARG  85   8.005 -16.164 -14.836
  689   2HH1  ARG  85          2HH1      ARG  85   7.567 -17.764 -14.339
  690   1HH2  ARG  85          1HH2      ARG  85   6.415 -16.787 -11.187
  691   2HH2  ARG  85          2HH2      ARG  85   6.665 -18.118 -12.266
  692    H1   ASN   1           H1       ASN   1   4.089   6.753  -6.956
  693    H2   ASN   1           H2       ASN   1   3.340   6.410  -8.433
  694    H3   ASN   1           H3       ASN   1   2.660   7.551  -7.385
  695    HA   ASN   1           HA       ASN   1   1.364   5.931  -6.660
  696   1HB   ASN   1          1HB       ASN   1   1.819   3.549  -7.201
  697   2HB   ASN   1          2HB       ASN   1   1.870   4.591  -8.616
  698   2HD2  ASN   1          2HD2      ASN   1   4.621   5.292  -7.005
  699   1HD2  ASN   1          1HD2      ASN   1   5.696   4.167  -7.749
  700    H    ILE   2           H        ILE   2   1.160   4.527  -4.842
  701    HA   ILE   2           HA       ILE   2   1.639   3.696  -2.792
  702    HB   ILE   2           HB       ILE   2   4.496   4.014  -3.667
  703   1HG1  ILE   2          1HG1      ILE   2   3.316   2.364  -4.981
  704   2HG1  ILE   2          2HG1      ILE   2   4.407   1.538  -3.876
  705   1HG2  ILE   2          1HG2      ILE   2   3.357   2.727  -1.190
  706   2HG2  ILE   2          2HG2      ILE   2   5.012   2.491  -1.752
  707   3HG2  ILE   2          3HG2      ILE   2   4.464   4.099  -1.272
  708   1HD1  ILE   2          1HD1      ILE   2   1.781   1.881  -2.720
  709   2HD1  ILE   2          2HD1      ILE   2   1.720   1.017  -4.256
  710   3HD1  ILE   2          3HD1      ILE   2   2.736   0.416  -2.945
  711    H    GLN   3           H        GLN   3   3.423   6.564  -3.810
  712    HA   GLN   3           HA       GLN   3   3.934   7.600  -1.240
  713   1HB   GLN   3          1HB       GLN   3   5.207   8.601  -2.904
  714   2HB   GLN   3          2HB       GLN   3   3.852   8.717  -4.016
  715   1HG   GLN   3          1HG       GLN   3   4.640  10.897  -3.170
  716   2HG   GLN   3          2HG       GLN   3   2.944  10.575  -2.822
  717   2HE2  GLN   3          2HE2      GLN   3   2.365  11.252  -0.917
  718   1HE2  GLN   3          1HE2      GLN   3   3.333  11.250   0.517
  719    H    MET   4           H        MET   4   1.319   8.094  -3.562
  720    HA   MET   4           HA       MET   4  -0.139   9.899  -1.912
  721   1HB   MET   4          1HB       MET   4  -1.136   8.244  -4.233
  722   2HB   MET   4          2HB       MET   4  -1.898   9.682  -3.565
  723   1HG   MET   4          1HG       MET   4   0.116  10.979  -4.214
  724   2HG   MET   4          2HG       MET   4   0.738   9.530  -5.003
  725   1HE   MET   4          1HE       MET   4  -0.516   8.289  -6.962
  726   2HE   MET   4          2HE       MET   4  -2.090   8.321  -6.168
  727   3HE   MET   4          3HE       MET   4  -1.920   8.929  -7.815
  728    H    LEU   5           H        LEU   5  -0.345   6.430  -2.580
  729    HA   LEU   5           HA       LEU   5  -2.707   5.942  -1.120
  730   1HB   LEU   5          1HB       LEU   5  -1.699   4.396  -2.791
  731   2HB   LEU   5          2HB       LEU   5  -0.420   4.038  -1.644
  732    HG   LEU   5           HG       LEU   5  -1.974   2.985  -0.137
  733   1HD1  LEU   5          1HD1      LEU   5  -3.850   4.595  -0.692
  734   2HD1  LEU   5          2HD1      LEU   5  -4.187   3.567  -2.086
  735   3HD1  LEU   5          3HD1      LEU   5  -4.310   2.910  -0.453
  736   1HD2  LEU   5          1HD2      LEU   5  -1.444   2.086  -2.761
  737   2HD2  LEU   5          2HD2      LEU   5  -1.787   1.120  -1.326
  738   3HD2  LEU   5          3HD2      LEU   5  -3.106   1.635  -2.378
  739    H    LEU   6           H        LEU   6   0.705   5.644  -0.227
  740    HA   LEU   6           HA       LEU   6   0.350   4.756   2.408
  741   1HB   LEU   6          1HB       LEU   6   2.499   4.614   1.359
  742   2HB   LEU   6          2HB       LEU   6   2.542   6.342   1.080
  743    HG   LEU   6           HG       LEU   6   2.637   6.650   3.577
  744   1HD1  LEU   6          1HD1      LEU   6   2.922   3.665   3.452
  745   2HD1  LEU   6          2HD1      LEU   6   3.557   4.622   4.790
  746   3HD1  LEU   6          3HD1      LEU   6   1.826   4.625   4.447
  747   1HD2  LEU   6          1HD2      LEU   6   4.776   5.309   1.976
  748   2HD2  LEU   6          2HD2      LEU   6   4.644   6.996   2.480
  749   3HD2  LEU   6          3HD2      LEU   6   5.053   5.752   3.663
  750    H    GLU   7           H        GLU   7   0.671   7.997   1.044
  751    HA   GLU   7           HA       GLU   7   0.534   9.427   3.469
  752   1HB   GLU   7          1HB       GLU   7   1.362  10.414   1.381
  753   2HB   GLU   7          2HB       GLU   7  -0.237  10.269   0.666
  754   1HG   GLU   7          1HG       GLU   7   0.141  12.540   1.347
  755   2HG   GLU   7          2HG       GLU   7  -1.115  11.825   2.355
  756    H    ALA   8           H        ALA   8  -1.876   8.129   1.309
  757    HA   ALA   8           HA       ALA   8  -4.150   9.497   2.144
  758   1HB   ALA   8          1HB       ALA   8  -3.895   7.895   0.197
  759   2HB   ALA   8          2HB       ALA   8  -4.126   6.593   1.364
  760   3HB   ALA   8          3HB       ALA   8  -5.401   7.786   1.109
  761    H    ALA   9           H        ALA   9  -2.686   6.538   3.452
  762    HA   ALA   9           HA       ALA   9  -4.637   5.858   5.306
  763   1HB   ALA   9          1HB       ALA   9  -1.919   5.133   4.767
  764   2HB   ALA   9          2HB       ALA   9  -2.155   5.289   6.507
  765   3HB   ALA   9          3HB       ALA   9  -3.181   4.201   5.573
  766    H    ASP  10           H        ASP  10  -1.847   8.024   5.693
  767    HA   ASP  10           HA       ASP  10  -2.239   8.652   8.396
  768   1HB   ASP  10          1HB       ASP  10  -0.168   9.197   7.198
  769   2HB   ASP  10          2HB       ASP  10  -1.037  10.359   6.202
  770    H    TYR  11           H        TYR  11  -3.634   9.966   5.460
  771    HA   TYR  11           HA       TYR  11  -4.863  12.238   6.592
  772   1HB   TYR  11          1HB       TYR  11  -4.558  12.018   4.187
  773   2HB   TYR  11          2HB       TYR  11  -5.622  10.617   4.154
  774    HD1  TYR  11           HD1      TYR  11  -5.718  14.177   5.319
  775    HD2  TYR  11           HD2      TYR  11  -7.770  10.963   3.432
  776    HE1  TYR  11           HE1      TYR  11  -7.644  15.652   4.916
  777    HE2  TYR  11           HE2      TYR  11  -9.697  12.429   3.018
  778    HH   TYR  11           HH       TYR  11  -9.562  15.855   3.588
  779    H    LEU  12           H        LEU  12  -6.106   8.969   5.934
  780    HA   LEU  12           HA       LEU  12  -8.684   9.514   7.052
  781   1HB   LEU  12          1HB       LEU  12  -7.310   6.931   6.337
  782   2HB   LEU  12          2HB       LEU  12  -8.971   7.033   6.885
  783    HG   LEU  12           HG       LEU  12  -7.884   8.278   4.356
  784   1HD1  LEU  12          1HD1      LEU  12  -9.373   5.742   4.932
  785   2HD1  LEU  12          2HD1      LEU  12  -9.537   6.549   3.370
  786   3HD1  LEU  12          3HD1      LEU  12  -7.950   5.997   3.918
  787   1HD2  LEU  12          1HD2      LEU  12 -10.104   9.023   5.850
  788   2HD2  LEU  12          2HD2      LEU  12  -9.788   9.415   4.159
  789   3HD2  LEU  12          3HD2      LEU  12 -10.756   7.999   4.569
  790    H    GLU  13           H        GLU  13  -6.236   9.898   8.762
  791    HA   GLU  13           HA       GLU  13  -6.179   7.900  10.758
  792   1HB   GLU  13          1HB       GLU  13  -4.396   9.617  10.364
  793   2HB   GLU  13          2HB       GLU  13  -5.464  10.821  11.067
  794   1HG   GLU  13          1HG       GLU  13  -4.507   8.368  12.519
  795   2HG   GLU  13          2HG       GLU  13  -3.721   9.941  12.607

  No H/Q in entry =         795