*HEADER    METAL TRANSPORT                         18-OCT-04   1XS8              
*TITLE     SOLUTION STRUCTURE OF YGGX PROTEIN OF SALMONELLA ENTERICA             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UPF0269 PROTEIN YGGX;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM;                         
*SOURCE   3 STRAIN: TYPHIMURIUM LT2;                                             
*SOURCE   4 GENE: YGGX;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PTYB2                                     
*KEYWDS    HELIX-TURN-HELIX                                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.QIU, M.P.THORGERSEN, W.M.WESTLER, D.M.DOWNS, J.L.MARKLEY            
*REVDAT   1   04-JAN-05 1XS8    0                                                

!unambiguous NOE constraint for CNS1.1
 ASSI { 1200}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 4    and name HB  ))
       4.400     2.600     1.600 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.20171E-02 ppm1      4.672 ppm2      3.954 CV     1
  ASSI { 1202}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 3    and name HB2 ))
       2.500     0.700     1.300 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.22675E-02 ppm1      4.672 ppm2      1.757 CV     1
  ASSI { 1203}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 3    and name HG2 ))
       3.200     1.400     2.100 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      4.672 ppm2      1.469 CV     1
  ASSI { 1206}
    (( segid "    " and resid 3    and name HB1 ))
    (( segid "    " and resid 3    and name HA  ))
       3.200     1.400     2.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      1.800 ppm2      4.668 CV     1
  ASSI { 1207}
    (( segid "    " and resid 3    and name HB1 ))
    (( segid "    " and resid 3    and name HD1 ))
       2.600     0.800     1.300 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      1.799 ppm2      3.242 CV     1
  ASSI { 1210}
    (( segid "    " and resid 3    and name HB1 ))
    (( segid "    " and resid 3    and name HG2 ))
       1.900     0.100     0.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.10113E-01 ppm1      1.797 ppm2      1.474 CV     1
  ASSI { 1217}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 3    and name HG2 ))
       2.400     0.600     1.200 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.92227E-02 ppm1      1.721 ppm2      1.485 CV     1
  ASSI { 1218}
    (( segid "    " and resid 12   and name HB2 ))
    (  segid "    " and resid 10   and name HD1%)
       4.700     2.900     1.300 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.14467E-02 ppm1      1.744 ppm2      1.024 CV     1
  ASSI { 1220}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 13   and name HB2 ))
       3.800     2.000     2.200 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.12200E-02 ppm1      1.738 ppm2      2.558 CV     1
  ASSI { 1221}
    (( segid "    " and resid 3    and name HB2 ))
    (  segid "    " and resid 5    and name HG2%)
       3.800     2.000     2.200 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.30465E-02 ppm1      1.725 ppm2      0.809 CV     1
  ASSI { 1223}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 13   and name HN  ))
       2.800     1.000     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.78597E-03 ppm1      1.726 ppm2      8.577 CV     1
  ASSI { 1224}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 3    and name HE  ))
       4.700     2.900     1.300 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.56755E-03 ppm1      1.729 ppm2      7.185 CV     1
  ASSI { 1225}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 12   and name HN  ))
       4.600     2.800     1.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.31300E-03 ppm1      1.731 ppm2      6.807 CV     1
  ASSI { 1226}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       4.400     2.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.53835E-03 ppm1      1.737 ppm2      9.298 CV     1
  ASSI { 1228}
    (( segid "    " and resid 3    and name HD1 ))
    (( segid "    " and resid 3    and name HA  ))
       4.200     2.400     1.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.15580E-02 ppm1      3.240 ppm2      4.670 CV     1
  ASSI { 1230}
    (( segid "    " and resid 3    and name HD1 ))
    (( segid "    " and resid 3    and name HB2 ))
       3.300     1.500     2.200 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.15580E-02 ppm1      3.228 ppm2      1.734 CV     1
  ASSI { 1231}
    (( segid "    " and resid 3    and name HD1 ))
    (( segid "    " and resid 3    and name HG2 ))
       2.300     0.500     1.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.38811E-02 ppm1      3.241 ppm2      1.431 CV     1
  ASSI { 1232}
    (( segid "    " and resid 3    and name HD1 ))
    (( segid "    " and resid 3    and name HE  ))
       3.100     1.300     1.900 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.11407E-02 ppm1      3.246 ppm2      7.184 CV     1
  ASSI { 1236}
    (( segid "    " and resid 3    and name HG2 ))
    (( segid "    " and resid 3    and name HB1 ))
       1.800     0.000     0.600 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.34499E-01 ppm1      1.481 ppm2      1.772 CV     1
  OR { 1236}
    (( segid "    " and resid 3    and name HG2 ))
    (( segid "    " and resid 3    and name HB2 ))
  ASSI { 1239}
    (( segid "    " and resid 3    and name HG2 ))
    (( segid "    " and resid 3    and name HE  ))
       3.300     1.500     2.100 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.62738E-03 ppm1      1.472 ppm2      7.157 CV     1
  ASSI {    1}
    (( segid "    " and resid 4    and name HN  ))
    (  segid "    " and resid 5    and name HG2%)
       4.900     3.100     1.100 peak     1 spectrum    1 weight  0.10000E+01 volume  0.15024E-03 ppm1      8.926 ppm2      0.792 CV     1
  ASSI {    3}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HG2 ))
       3.500     1.700     2.400 peak     3 spectrum    1 weight  0.10000E+01 volume  0.58425E-03 ppm1      8.925 ppm2      1.467 CV     1
  ASSI {    4}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HB1 ))
       4.300     2.500     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.79429E-03 ppm1      8.925 ppm2      1.774 CV     1
  OR {    4}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HB2 ))
  ASSI {    6}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HD1 ))
       6.000     4.200     0.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11268E-03 ppm1      8.925 ppm2      3.261 CV     1
  ASSI {    7}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 4    and name HB  ))
       4.100     2.300     1.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.74839E-03 ppm1      8.925 ppm2      3.972 CV     1
  ASSI {    8}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HA  ))
       2.600     0.800     1.300 peak     8 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      8.925 ppm2      4.684 CV     1
  ASSI {   12}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 16   and name HN  ))
       6.000     4.200     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.90699E-05 ppm1      8.930 ppm2      9.347 CV     1
  ASSI {   13}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HE  ))
       6.000     4.200     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.11254E-04 ppm1      8.920 ppm2      7.118 CV     1
  ASSI { 1241}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 4    and name HB  ))
       3.000     1.200     1.800 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.11532E-02 ppm1      4.769 ppm2      3.961 CV     1
  ASSI { 1247}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 5    and name HG11))
       4.100     2.300     1.900 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.54809E-03 ppm1      4.765 ppm2      0.740 CV     1
  ASSI { 1248}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       5.100     3.300     0.900 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.14885E-03 ppm1      4.761 ppm2      9.810 CV     1
  ASSI { 1249}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       3.300     1.500     2.200 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.75954E-03 ppm1      4.763 ppm2      9.334 CV     1
  ASSI { 1250}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       2.700     0.900     1.400 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      4.760 ppm2      9.118 CV     1
  ASSI { 1257}
    (( segid "    " and resid 4    and name HB  ))
    (( segid "    " and resid 5    and name HN  ))
       3.400     1.600     2.300 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.80403E-03 ppm1      3.973 ppm2      9.110 CV     1
  ASSI { 1259}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 13   and name HA  ))
       4.800     3.000     1.200 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.43959E-03 ppm1      1.193 ppm2      5.606 CV     1
  ASSI { 1260}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 4    and name HA  ))
       2.900     1.100     1.700 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      1.193 ppm2      4.741 CV     1
  ASSI { 1261}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 4    and name HB  ))
       2.800     1.000     1.600 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      1.193 ppm2      3.967 CV     1
  ASSI { 1263}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 13   and name HB1 ))
       3.200     1.400     2.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      1.192 ppm2      2.394 CV     1
  ASSI { 1265}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 14   and name HN  ))
       4.200     2.400     1.800 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.62319E-03 ppm1      1.193 ppm2      9.808 CV     1
  ASSI { 1266}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 16   and name HN  ))
       4.400     2.600     1.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.51610E-03 ppm1      1.193 ppm2      9.350 CV     1
  ASSI { 1267}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 5    and name HN  ))
       4.400     2.600     1.600 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.93065E-03 ppm1      1.193 ppm2      9.121 CV     1
  ASSI { 1268}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 4    and name HN  ))
       4.100     2.300     1.900 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.29352E-03 ppm1      1.192 ppm2      8.901 CV     1
  ASSI {   14}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 5    and name HG11))
       2.600     0.800     1.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.79571E-03 ppm1      9.103 ppm2      0.727 CV     1
  ASSI {   17}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 5    and name HB  ))
       4.200     2.400     1.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.48688E-03 ppm1      9.103 ppm2      1.888 CV     1
  ASSI {   20}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 16   and name HA2 ))
       6.000     4.200     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.13563E-03 ppm1      9.104 ppm2      3.353 CV     1
  ASSI {   24}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 7    and name HN  ))
       6.000     4.200     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.10461E-04 ppm1      9.109 ppm2      7.944 CV     1
  ASSI {   25}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
       6.000     4.200     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.24483E-04 ppm1      9.101 ppm2      8.425 CV     1
  ASSI {   27}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       4.000     2.200     2.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.15859E-03 ppm1      9.106 ppm2      9.791 CV     1
  ASSI { 1270}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 4    and name HB  ))
       2.900     1.100     1.700 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.29491E-02 ppm1      4.786 ppm2      3.970 CV     1
  ASSI { 1272}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
       3.100     1.300     1.900 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.91537E-03 ppm1      4.798 ppm2      1.897 CV     1
  ASSI { 1273}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HG12))
       4.600     2.800     1.400 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.50636E-03 ppm1      4.797 ppm2      1.138 CV     1
  ASSI { 1274}
    (( segid "    " and resid 5    and name HA  ))
    (  segid "    " and resid 5    and name HD1%)
       3.800     2.000     2.200 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.11838E-02 ppm1      4.795 ppm2      0.638 CV     1
  ASSI { 1275}
    (( segid "    " and resid 5    and name HA  ))
    (  segid "    " and resid 5    and name HG2%)
       2.900     1.100     1.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      4.798 ppm2      0.809 CV     1
  ASSI { 1276}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       3.700     1.900     2.300 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.29213E-03 ppm1      4.799 ppm2      9.117 CV     1
  ASSI { 1279}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 5    and name HG12))
       2.300     0.500     1.100 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.32691E-02 ppm1      1.901 ppm2      1.100 CV     1
  ASSI { 1280}
    (( segid "    " and resid 5    and name HB  ))
    (  segid "    " and resid 5    and name HD1%)
       2.200     0.400     1.000 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.69417E-02 ppm1      1.899 ppm2      0.676 CV     1
  OR { 1280}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 5    and name HG11))
  ASSI { 1281}
    (( segid "    " and resid 5    and name HB  ))
    (  segid "    " and resid 5    and name HG2%)
       2.200     0.400     1.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.60372E-02 ppm1      1.894 ppm2      0.834 CV     1
  ASSI { 1283}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 6    and name HN  ))
       2.200     0.400     1.000 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.40063E-02 ppm1      1.894 ppm2      8.479 CV     1
  ASSI { 1284}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 34   and name HA  ))
       4.300     2.500     1.700 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.21423E-03 ppm1      0.640 ppm2      5.497 CV     1
  ASSI { 1285}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 33   and name HA  ))
       2.900     1.100     1.700 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.17667E-02 ppm1      0.639 ppm2      4.915 CV     1
  ASSI { 1289}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 16   and name HA2 ))
       3.900     2.100     2.100 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.46880E-03 ppm1      0.639 ppm2      3.369 CV     1
  ASSI { 1290}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 7    and name HB1 ))
       3.900     2.100     2.100 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      0.639 ppm2      3.150 CV     1
  ASSI { 1294}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 5    and name HB  ))
       3.000     1.200     1.800 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.10072E-02 ppm1      0.639 ppm2      1.893 CV     1
  ASSI { 1296}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 5    and name HG12))
       2.600     0.800     1.300 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.20032E-02 ppm1      0.639 ppm2      1.112 CV     1
  ASSI { 1297}
    (  segid "    " and resid 5    and name HD1%)
    (  segid "    " and resid 5    and name HG2%)
       3.000     1.200     1.900 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.82073E-02 ppm1      0.637 ppm2      0.816 CV     1
  ASSI { 1299}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 35   and name HN  ))
       3.900     2.100     2.100 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.39090E-03 ppm1      0.639 ppm2     10.941 CV     1
  ASSI { 1300}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 8    and name HN  ))
       4.600     2.800     1.400 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.44237E-03 ppm1      0.639 ppm2      9.837 CV     1
  ASSI { 1301}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 16   and name HN  ))
       5.300     3.500     0.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.27822E-03 ppm1      0.639 ppm2      9.335 CV     1
  ASSI { 1302}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 5    and name HN  ))
       4.200     2.400     1.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.43402E-03 ppm1      0.638 ppm2      9.119 CV     1
  ASSI { 1303}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 36   and name HN  ))
       4.400     2.600     1.600 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.61068E-03 ppm1      0.639 ppm2      8.630 CV     1
  ASSI { 1305}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 7    and name HN  ))
       4.700     2.900     1.300 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.10517E-03 ppm1      0.639 ppm2      7.991 CV     1
  ASSI { 1309}
    (( segid "    " and resid 5    and name HG11))
    (( segid "    " and resid 5    and name HB  ))
       2.600     0.800     1.400 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.32830E-02 ppm1      0.726 ppm2      1.918 CV     1
  ASSI { 1314}
    (( segid "    " and resid 5    and name HG12))
    (( segid "    " and resid 4    and name HA  ))
       4.900     3.100     1.100 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.80963E-03 ppm1      1.125 ppm2      4.741 CV     1
  ASSI { 1315}
    (( segid "    " and resid 5    and name HG12))
    (( segid "    " and resid 16   and name HA1 ))
       2.700     0.900     1.400 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.10405E-02 ppm1      1.121 ppm2      4.168 CV     1
  ASSI { 1319}
    (( segid "    " and resid 5    and name HG12))
    (( segid "    " and resid 5    and name HN  ))
       4.700     2.900     1.300 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.49940E-03 ppm1      1.123 ppm2      9.118 CV     1
  ASSI { 1324}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 16   and name HA1 ))
       3.300     1.500     2.200 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.85276E-03 ppm1      0.814 ppm2      4.193 CV     1
  ASSI { 1329}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 3    and name HG2 ))
       2.400     0.600     1.100 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.31578E-02 ppm1      0.815 ppm2      1.471 CV     1
  ASSI { 1330}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 5    and name HG12))
       2.600     0.800     1.400 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.18501E-02 ppm1      0.809 ppm2      1.130 CV     1
  ASSI { 1334}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 17   and name HN  ))
       4.900     3.100     1.100 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.37977E-03 ppm1      0.814 ppm2      9.976 CV     1
  ASSI { 1335}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 16   and name HN  ))
       4.500     2.700     1.500 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.44654E-03 ppm1      0.814 ppm2      9.344 CV     1
  ASSI { 1336}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 5    and name HN  ))
       3.900     2.100     2.100 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.61345E-03 ppm1      0.814 ppm2      9.118 CV     1
  ASSI { 1337}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 6    and name HN  ))
       4.400     2.600     1.600 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.72479E-03 ppm1      0.815 ppm2      8.466 CV     1
  ASSI {   29}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 5    and name HG12))
       4.000     2.200     2.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      8.449 ppm2      1.145 CV     1
  ASSI {   31}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 6    and name HB1 ))
       3.900     2.100     2.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.13674E-02 ppm1      8.447 ppm2      3.007 CV     1
  ASSI {   32}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 5    and name HA  ))
       2.500     0.700     1.300 peak    32 spectrum    1 weight  0.10000E+01 volume  0.27126E-02 ppm1      8.446 ppm2      4.793 CV     1
  ASSI {   33}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 13   and name HA  ))
       5.200     3.400     0.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.13758E-03 ppm1      8.445 ppm2      5.598 CV     1
  ASSI {   34}
    (( segid "    " and resid 6    and name HN  ))
    (  segid "    " and resid 6    and name HE% )
       6.000     4.200     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.27404E-04 ppm1      8.446 ppm2      6.788 CV     1
  ASSI {   35}
    (( segid "    " and resid 6    and name HN  ))
    (  segid "    " and resid 6    and name HD% )
       3.400     1.600     2.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.55504E-03 ppm1      8.448 ppm2      7.188 CV     1
  ASSI {   36}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 7    and name HN  ))
       5.800     4.000     0.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.10016E-03 ppm1      8.451 ppm2      7.983 CV     1
  ASSI { 1340}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 13   and name HA  ))
       3.000     1.200     1.800 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.13215E-02 ppm1      4.652 ppm2      5.607 CV     1
  ASSI { 1342}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 6    and name HB1 ))
       2.500     0.700     1.200 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.30465E-02 ppm1      4.651 ppm2      3.012 CV     1
  ASSI { 1345}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 6    and name HN  ))
       2.800     1.000     1.600 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.16693E-02 ppm1      4.651 ppm2      8.466 CV     1
  ASSI { 1346}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
       2.600     0.800     1.300 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.20588E-02 ppm1      4.653 ppm2      7.997 CV     1
  ASSI { 1347}
    (( segid "    " and resid 6    and name HA  ))
    (  segid "    " and resid 6    and name HD% )
       3.300     1.500     2.200 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.11880E-02 ppm1      4.653 ppm2      7.197 CV     1
  ASSI { 1352}
    (( segid "    " and resid 6    and name HB1 ))
    (  segid "    " and resid 6    and name HD% )
       3.300     1.500     2.200 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.79571E-03 ppm1      2.971 ppm2      7.190 CV     1
  ASSI {   49}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 13   and name HA  ))
       4.600     2.800     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.20588E-03 ppm1      7.969 ppm2      5.595 CV     1
  ASSI {   50}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       4.200     2.400     1.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.16972E-03 ppm1      7.969 ppm2      6.784 CV     1
  ASSI {   56}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       6.000     4.200     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.24066E-04 ppm1      7.967 ppm2     10.324 CV     1
  ASSI {   57}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       6.000     4.200     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.18641E-04 ppm1      7.969 ppm2     10.937 CV     1
  ASSI { 1361}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 8    and name HG1 ))
       3.800     2.000     2.200 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.81518E-03 ppm1      4.685 ppm2      1.634 CV     1
  ASSI { 1365}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       5.000     3.200     1.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.18362E-03 ppm1      4.683 ppm2     10.943 CV     1
  ASSI { 1366}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       5.500     3.700     0.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.14328E-03 ppm1      4.692 ppm2     10.317 CV     1
  ASSI { 1367}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       2.500     0.700     1.200 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      4.684 ppm2      9.837 CV     1
  ASSI { 1368}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       4.400     2.600     1.600 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.58985E-03 ppm1      4.687 ppm2      9.231 CV     1
  ASSI { 1369}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
       2.600     0.800     1.300 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.28796E-02 ppm1      4.667 ppm2      8.000 CV     1
  ASSI { 1371}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       4.000     2.200     2.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.85276E-03 ppm1      4.675 ppm2      6.795 CV     1
  ASSI { 1377}
    (( segid "    " and resid 7    and name HB2 ))
    (  segid "    " and resid 10   and name HD1%)
       3.600     1.800     2.400 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.13341E-02 ppm1      2.746 ppm2      1.032 CV     1
  ASSI { 1379}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 7    and name HN  ))
       3.400     1.600     2.400 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.51749E-03 ppm1      2.746 ppm2      7.991 CV     1
  ASSI { 1380}
    (( segid "    " and resid 7    and name HB2 ))
    (  segid "    " and resid 9    and name HD% )
       5.100     3.300     0.900 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.46601E-03 ppm1      2.745 ppm2      7.059 CV     1
  ASSI { 1381}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 12   and name HN  ))
       5.300     3.500     0.700 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.23510E-03 ppm1      2.739 ppm2      6.785 CV     1
  ASSI { 1382}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       3.500     1.700     2.400 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.21423E-03 ppm1      2.748 ppm2     10.943 CV     1
  ASSI { 1383}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 10   and name HN  ))
       5.300     3.500     0.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.17528E-03 ppm1      2.749 ppm2     10.346 CV     1
  ASSI { 1384}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 8    and name HN  ))
       4.900     3.100     1.100 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.17945E-03 ppm1      2.748 ppm2      9.838 CV     1
  ASSI { 1395}
    (( segid "    " and resid 7    and name HB1 ))
    (  segid "    " and resid 10   and name HD1%)
       3.400     1.600     2.300 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.10920E-02 ppm1      3.159 ppm2      1.017 CV     1
  ASSI { 1398}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 10   and name HN  ))
       3.500     1.700     2.400 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.24205E-03 ppm1      3.158 ppm2     10.332 CV     1
  ASSI { 1399}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 8    and name HN  ))
       4.500     2.700     1.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.20866E-03 ppm1      3.162 ppm2      9.831 CV     1
  ASSI { 1400}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 9    and name HN  ))
       3.700     1.900     2.300 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.49940E-03 ppm1      3.153 ppm2      9.227 CV     1
  ASSI { 1403}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 7    and name HN  ))
       3.300     1.500     2.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.42290E-03 ppm1      3.161 ppm2      7.991 CV     1
  ASSI { 1405}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 12   and name HN  ))
       3.500     1.700     2.400 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.47158E-03 ppm1      3.159 ppm2      6.784 CV     1
  ASSI {   60}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 8    and name HG1 ))
       2.900     1.100     1.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.64549E-03 ppm1      9.835 ppm2      1.606 CV     1
  ASSI {   62}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 34   and name HB  ))
       5.100     3.300     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.53835E-03 ppm1      9.835 ppm2      2.782 CV     1
  ASSI {   67}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 75   and name HA  ))
       5.100     3.300     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.16554E-03 ppm1      9.834 ppm2      4.967 CV     1
  ASSI {   71}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 7    and name HN  ))
       6.000     4.200     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.65658E-04 ppm1      9.838 ppm2      7.968 CV     1
  ASSI {   73}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 9    and name HN  ))
       3.300     1.500     2.200 peak    73 spectrum    1 weight  0.10000E+01 volume  0.21423E-03 ppm1      9.835 ppm2      9.217 CV     1
  ASSI {   75}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       6.000     4.200     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.14885E-04 ppm1      9.836 ppm2     10.324 CV     1
  ASSI {   76}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       6.000     4.200     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.43263E-04 ppm1      9.839 ppm2     10.916 CV     1
  ASSI { 1410}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 11   and name HA  ))
       4.900     3.100     1.100 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.26570E-03 ppm1      4.067 ppm2      3.388 CV     1
  ASSI { 1413}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 11   and name HG2 ))
       4.000     2.200     2.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      4.065 ppm2      2.258 CV     1
  OR { 1413}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 11   and name HB2 ))
  ASSI { 1414}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 11   and name HG1 ))
       5.300     3.500     0.700 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.10085E-02 ppm1      4.067 ppm2      2.157 CV     1
  ASSI { 1415}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HG1 ))
       2.700     0.900     1.500 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.15163E-02 ppm1      4.067 ppm2      1.620 CV     1
  ASSI { 1418}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       5.200     3.400     0.800 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.13174E-03 ppm1      4.071 ppm2     10.349 CV     1
  ASSI { 1419}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       3.000     1.200     1.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.46045E-03 ppm1      4.067 ppm2      9.841 CV     1
  ASSI { 1420}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       3.700     1.900     2.300 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.23649E-03 ppm1      4.066 ppm2      9.246 CV     1
  ASSI { 1423}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
       4.400     2.600     1.600 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.19893E-03 ppm1      4.065 ppm2      7.946 CV     1
  ASSI { 1424}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 11   and name HE21))
       2.400     0.600     1.100 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.74426E-03 ppm1      4.066 ppm2      7.437 CV     1
  ASSI { 1426}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.200     0.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.18641E-04 ppm1      4.401 ppm2      5.494 CV     1
  ASSI { 1432}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 33   and name HB2 ))
       5.300     3.500     0.700 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.30326E-03 ppm1      4.406 ppm2      2.841 CV     1
  ASSI { 1433}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 33   and name HB1 ))
       6.000     4.200     0.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.32413E-03 ppm1      4.405 ppm2      2.379 CV     1
  ASSI { 1436}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 8    and name HN  ))
       3.200     1.400     2.100 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.43820E-03 ppm1      4.408 ppm2      9.846 CV     1
  ASSI { 1438}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 11   and name HE22))
       5.400     3.600     0.600 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.26431E-03 ppm1      4.406 ppm2      8.425 CV     1
  ASSI { 1439}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 11   and name HE21))
       5.100     3.300     0.900 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.26152E-03 ppm1      4.405 ppm2      7.434 CV     1
  ASSI { 1441}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.200     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.97514E-04 ppm1      1.620 ppm2      5.502 CV     1
  ASSI { 1442}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 75   and name HA  ))
       3.300     1.500     2.100 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.80267E-03 ppm1      1.619 ppm2      4.979 CV     1
  ASSI { 1444}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 8    and name HB  ))
       2.500     0.700     1.200 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      1.619 ppm2      4.414 CV     1
  ASSI { 1446}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 30   and name HA  ))
       6.000     4.200     0.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.12158E-03 ppm1      1.619 ppm2      3.775 CV     1
  ASSI { 1449}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 33   and name HB2 ))
       2.500     0.700     1.200 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.98487E-03 ppm1      1.619 ppm2      2.845 CV     1
  ASSI { 1450}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 33   and name HG1 ))
       3.400     1.600     2.300 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.76650E-03 ppm1      1.619 ppm2      2.550 CV     1
  ASSI { 1451}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 76   and name HB2 ))
       4.900     3.100     1.100 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.51331E-03 ppm1      1.619 ppm2      2.338 CV     1
  OR { 1451}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 76   and name HG1 ))
  ASSI { 1453}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 34   and name HG11))
       3.500     1.700     2.400 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.36169E-02 ppm1      1.618 ppm2      1.859 CV     1
  ASSI { 1455}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 34   and name HG12))
       3.300     1.500     2.200 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      1.616 ppm2      1.170 CV     1
  ASSI { 1462}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 9    and name HN  ))
       4.800     3.000     1.200 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.29074E-03 ppm1      1.619 ppm2      9.237 CV     1
  ASSI { 1463}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 11   and name HE22))
       4.600     2.800     1.400 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.51331E-03 ppm1      1.619 ppm2      8.430 CV     1
  ASSI { 1466}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 11   and name HE21))
       4.200     2.400     1.800 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.10197E-02 ppm1      1.619 ppm2      7.427 CV     1
  ASSI {   78}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 10   and name HD1%)
       4.900     3.100     1.100 peak    78 spectrum    1 weight  0.10000E+01 volume  0.48688E-03 ppm1      9.225 ppm2      1.005 CV     1
  ASSI {   81}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 76   and name HB2 ))
       4.700     2.900     1.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.23370E-03 ppm1      9.226 ppm2      2.321 CV     1
  OR {   81}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 76   and name HG1 ))
  ASSI {   83}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 9    and name HB1 ))
       2.900     1.100     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.76373E-03 ppm1      9.226 ppm2      3.096 CV     1
  ASSI {   90}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 9    and name HD% )
       4.800     3.000     1.200 peak    90 spectrum    1 weight  0.10000E+01 volume  0.42567E-03 ppm1      9.225 ppm2      7.032 CV     1
  ASSI {   92}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 7    and name HN  ))
       6.000     4.200     0.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.12311E-04 ppm1      9.223 ppm2      7.980 CV     1
  ASSI {   96}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       3.400     1.600     2.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.23510E-03 ppm1      9.225 ppm2     10.310 CV     1
  ASSI {   97}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       6.000     4.200     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.44376E-04 ppm1      9.226 ppm2     10.939 CV     1
  ASSI { 1476}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 9    and name HB1 ))
       2.800     1.000     1.600 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.37281E-02 ppm1      4.402 ppm2      3.085 CV     1
  ASSI { 1478}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 76   and name HB2 ))
       3.400     1.600     2.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.84161E-03 ppm1      4.399 ppm2      2.325 CV     1
  OR { 1478}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 76   and name HG1 ))
  ASSI { 1481}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       3.900     2.100     2.100 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.40063E-03 ppm1      4.404 ppm2     10.343 CV     1
  ASSI { 1482}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       5.700     3.900     0.300 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.16276E-03 ppm1      4.407 ppm2      9.863 CV     1
  ASSI { 1484}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       3.300     1.500     2.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.70809E-03 ppm1      4.403 ppm2      9.241 CV     1
  ASSI { 1485}
    (( segid "    " and resid 9    and name HA  ))
    (  segid "    " and resid 9    and name HD% )
       3.000     1.200     1.800 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.20032E-02 ppm1      4.402 ppm2      7.054 CV     1
  ASSI {   99}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 10   and name HD1%)
       4.500     2.700     1.500 peak    99 spectrum    1 weight  0.10000E+01 volume  0.52722E-03 ppm1     10.321 ppm2      1.005 CV     1
  ASSI {  104}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 11   and name HA  ))
       5.300     3.500     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.36586E-03 ppm1     10.318 ppm2      3.367 CV     1
  ASSI {  105}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 9    and name HB1 ))
       3.200     1.400     2.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.45767E-03 ppm1     10.321 ppm2      3.111 CV     1
  ASSI {  110}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.200     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.10433E-04 ppm1     10.319 ppm2      5.500 CV     1
  ASSI {  112}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 9    and name HD% )
       4.100     2.300     1.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.38116E-03 ppm1     10.321 ppm2      7.033 CV     1
  ASSI {  114}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 11   and name HN  ))
       3.400     1.600     2.300 peak   114 spectrum    1 weight  0.10000E+01 volume  0.20171E-03 ppm1     10.321 ppm2      8.527 CV     1
  ASSI { 1492}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 11   and name HG2 ))
       2.800     1.000     1.600 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.20171E-02 ppm1      3.982 ppm2      2.299 CV     1
  ASSI { 1493}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HB1 ))
       2.200     0.400     1.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.30048E-02 ppm1      3.980 ppm2      1.445 CV     1
  ASSI { 1494}
    (( segid "    " and resid 10   and name HA  ))
    (  segid "    " and resid 10   and name HD1%)
       3.900     2.100     2.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.22258E-02 ppm1      3.989 ppm2      0.989 CV     1
  ASSI { 1495}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       3.300     1.500     2.100 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.56619E-03 ppm1      3.985 ppm2     10.343 CV     1
  ASSI { 1496}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       4.400     2.600     1.600 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.55366E-03 ppm1      3.987 ppm2      9.226 CV     1
  ASSI { 1499}
    (( segid "    " and resid 10   and name HA  ))
    (  segid "    " and resid 9    and name HD% )
       3.800     2.000     2.200 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.80403E-03 ppm1      3.986 ppm2      7.043 CV     1
  ASSI { 1501}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       4.600     2.800     1.400 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.35334E-03 ppm1      3.978 ppm2      6.813 CV     1
  ASSI { 1507}
    (( segid "    " and resid 10   and name HB1 ))
    (  segid "    " and resid 10   and name HD1%)
       3.000     1.200     1.800 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.92923E-03 ppm1      1.424 ppm2      1.035 CV     1
  ASSI { 1509}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 10   and name HN  ))
       4.900     3.100     1.100 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.15163E-03 ppm1      1.441 ppm2     10.345 CV     1
  ASSI { 1511}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 7    and name HN  ))
       4.500     2.700     1.500 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.83046E-03 ppm1      1.446 ppm2      8.004 CV     1
  ASSI { 1513}
    (( segid "    " and resid 10   and name HB1 ))
    (  segid "    " and resid 9    and name HD% )
       5.200     3.400     0.800 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.31995E-03 ppm1      1.438 ppm2      7.075 CV     1
  ASSI { 1516}
    (( segid "    " and resid 21   and name HB1 ))
    (( segid "    " and resid 21   and name HA  ))
       2.900     1.100     1.700 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.12868E-02 ppm1      1.443 ppm2      4.310 CV     1
  ASSI { 1517}
    (( segid "    " and resid 21   and name HB1 ))
    (  segid "    " and resid 21   and name HD1%)
       3.300     1.500     2.200 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.41455E-02 ppm1      1.444 ppm2      0.822 CV     1
  ASSI { 1519}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HA  ))
       3.400     1.600     2.300 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.77901E-03 ppm1      1.733 ppm2      3.981 CV     1
  ASSI { 1523}
    (( segid "    " and resid 55   and name HB1 ))
    (( segid "    " and resid 55   and name HG  ))
       3.300     1.500     2.100 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.85412E-03 ppm1      1.723 ppm2      0.733 CV     1
  ASSI { 1524}
    (( segid "    " and resid 55   and name HB1 ))
    (  segid "    " and resid 55   and name HD2%)
       2.700     0.900     1.400 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.89307E-03 ppm1      1.732 ppm2      0.172 CV     1
  ASSI { 1528}
    (( segid "    " and resid 55   and name HB1 ))
    (( segid "    " and resid 62   and name HD2 ))
       3.900     2.100     2.100 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.48549E-03 ppm1      1.723 ppm2      6.823 CV     1
  ASSI { 1529}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 34   and name HA  ))
       5.300     3.500     0.700 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.24622E-03 ppm1      1.020 ppm2      5.498 CV     1
  ASSI { 1532}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 35   and name HB1 ))
       2.500     0.700     1.300 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.26848E-02 ppm1      1.019 ppm2      4.025 CV     1
  ASSI { 1540}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 35   and name HN  ))
       4.200     2.400     1.800 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.44654E-03 ppm1      1.018 ppm2     10.939 CV     1
  ASSI { 1543}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 39   and name HN  ))
       4.900     3.100     1.100 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.35751E-03 ppm1      1.016 ppm2      8.963 CV     1
  ASSI { 1546}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 41   and name HE22))
       4.300     2.500     1.700 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.41594E-03 ppm1      1.020 ppm2      7.779 CV     1
  OR { 1546}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 41   and name HN  ))
  ASSI { 1547}
    (  segid "    " and resid 10   and name HD1%)
    (  segid "    " and resid 9    and name HD% )
       3.900     2.100     2.100 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      1.018 ppm2      7.022 CV     1
  ASSI {  119}
    (( segid "    " and resid 11   and name HN  ))
    (  segid "    " and resid 5    and name HD1%)
       4.000     2.200     2.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.40481E-03 ppm1      8.538 ppm2      0.662 CV     1
  ASSI {  120}
    (( segid "    " and resid 11   and name HN  ))
    (  segid "    " and resid 10   and name HD1%)
       4.900     3.100     1.100 peak   120 spectrum    1 weight  0.10000E+01 volume  0.58702E-03 ppm1      8.533 ppm2      1.002 CV     1
  ASSI {  121}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 10   and name HB1 ))
       3.900     2.100     2.100 peak   121 spectrum    1 weight  0.10000E+01 volume  0.74703E-03 ppm1      8.530 ppm2      1.447 CV     1
  ASSI {  123}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 11   and name HG2 ))
       3.000     1.200     1.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.12130E-02 ppm1      8.534 ppm2      2.256 CV     1
  OR {  123}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 11   and name HB2 ))
  ASSI {  124}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 7    and name HB2 ))
       5.500     3.700     0.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.21840E-03 ppm1      8.535 ppm2      2.766 CV     1
  ASSI {  125}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 9    and name HB1 ))
       4.100     2.300     1.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.92923E-03 ppm1      8.538 ppm2      3.114 CV     1
  ASSI {  130}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       3.100     1.300     1.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.69275E-03 ppm1      8.534 ppm2      6.790 CV     1
  ASSI {  132}
    (( segid "    " and resid 11   and name HN  ))
    (  segid "    " and resid 9    and name HD% )
       2.000     0.200     4.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.59121E-03 ppm1      8.531 ppm2      7.082 CV     1
  ASSI {  133}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 7    and name HN  ))
       4.500     2.700     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      8.536 ppm2      8.004 CV     1
  ASSI {  135}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 9    and name HN  ))
       5.100     3.300     0.900 peak   135 spectrum    1 weight  0.10000E+01 volume  0.98906E-04 ppm1      8.536 ppm2      9.222 CV     1
  ASSI {  136}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
       6.000     4.200     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.27961E-04 ppm1      8.534 ppm2      9.834 CV     1
  ASSI { 1549}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HB1 ))
       2.800     1.000     1.500 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      3.383 ppm2      2.399 CV     1
  ASSI { 1550}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HB2 ))
       3.200     1.400     2.000 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      3.385 ppm2      2.211 CV     1
  ASSI { 1553}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 12   and name HG2 ))
       5.800     4.000     0.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.99602E-04 ppm1      3.388 ppm2      1.378 CV     1
  ASSI { 1555}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.700     0.900     1.400 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.13174E-02 ppm1      3.389 ppm2      8.535 CV     1
  ASSI { 1556}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HE21))
       3.500     1.700     2.500 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.20588E-03 ppm1      3.389 ppm2      7.460 CV     1
  ASSI { 1557}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       3.200     1.400     2.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.89448E-03 ppm1      3.388 ppm2      6.800 CV     1
  ASSI { 1558}
    (( segid "    " and resid 11   and name HA  ))
    (  segid "    " and resid 6    and name HD% )
       3.600     1.800     2.400 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.49662E-03 ppm1      3.384 ppm2      7.190 CV     1
  ASSI { 1568}
    (( segid "    " and resid 11   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       4.500     2.700     1.500 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.19614E-03 ppm1      2.231 ppm2      8.534 CV     1
  ASSI { 1572}
    (( segid "    " and resid 11   and name HG1 ))
    (( segid "    " and resid 11   and name HE22))
       3.900     2.100     2.100 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.17667E-02 ppm1      2.148 ppm2      8.465 CV     1
  ASSI { 1573}
    (( segid "    " and resid 11   and name HG1 ))
    (( segid "    " and resid 11   and name HE21))
       3.800     2.000     2.200 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.97933E-03 ppm1      2.146 ppm2      7.436 CV     1
  ASSI { 1575}
    (( segid "    " and resid 11   and name HG1 ))
    (( segid "    " and resid 12   and name HN  ))
       5.400     3.600     0.600 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.33665E-03 ppm1      2.143 ppm2      6.799 CV     1
  ASSI { 1576}
    (( segid "    " and resid 11   and name HG2 ))
    (( segid "    " and resid 11   and name HA  ))
       3.200     1.400     2.100 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.10572E-02 ppm1      2.281 ppm2      3.412 CV     1
  ASSI { 1579}
    (( segid "    " and resid 11   and name HG2 ))
    (( segid "    " and resid 8    and name HA  ))
       3.400     1.600     2.200 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.37421E-02 ppm1      2.289 ppm2      4.063 CV     1
  ASSI { 1580}
    (( segid "    " and resid 11   and name HG2 ))
    (( segid "    " and resid 11   and name HN  ))
       2.700     0.900     1.500 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.16832E-02 ppm1      2.282 ppm2      8.499 CV     1
  ASSI { 1581}
    (( segid "    " and resid 11   and name HG2 ))
    (( segid "    " and resid 11   and name HE21))
       2.600     0.800     1.400 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.82350E-03 ppm1      2.282 ppm2      7.435 CV     1
  ASSI {  139}
    (( segid "    " and resid 12   and name HN  ))
    (  segid "    " and resid 10   and name HD1%)
       5.000     3.200     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.46741E-03 ppm1      6.782 ppm2      1.013 CV     1
  ASSI {  142}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 11   and name HB2 ))
       3.200     1.400     2.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.12061E-02 ppm1      6.782 ppm2      2.202 CV     1
  ASSI {  147}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 12   and name HA  ))
       3.300     1.500     2.200 peak   147 spectrum    1 weight  0.10000E+01 volume  0.66354E-03 ppm1      6.782 ppm2      4.535 CV     1
  ASSI {  148}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 13   and name HA  ))
       5.500     3.700     0.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.65522E-04 ppm1      6.781 ppm2      5.586 CV     1
  ASSI {  154}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 9    and name HN  ))
       6.000     4.200     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.42290E-04 ppm1      6.784 ppm2      9.211 CV     1
  ASSI {  155}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       5.500     3.700     0.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.86663E-04 ppm1      6.783 ppm2      9.794 CV     1
  ASSI {  156}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       5.400     3.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.11852E-03 ppm1      6.782 ppm2     10.326 CV     1
  ASSI { 1582}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 13   and name HA  ))
       4.800     3.000     1.200 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.22118E-03 ppm1      4.510 ppm2      5.604 CV     1
  ASSI { 1584}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HD1 ))
       5.000     3.200     1.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.66219E-03 ppm1      4.510 ppm2      3.215 CV     1
  ASSI { 1585}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 11   and name HA  ))
       3.800     2.000     2.200 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.42985E-03 ppm1      4.508 ppm2      3.414 CV     1
  ASSI { 1587}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 13   and name HB2 ))
       4.600     2.800     1.400 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.85690E-03 ppm1      4.510 ppm2      2.569 CV     1
  ASSI { 1589}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HB1 ))
       2.200     0.400     1.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.70809E-02 ppm1      4.516 ppm2      2.127 CV     1
  ASSI { 1591}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HG2 ))
       4.000     2.200     2.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.60513E-03 ppm1      4.510 ppm2      1.389 CV     1
  ASSI { 1593}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HG1 ))
       4.200     2.400     1.800 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.57032E-03 ppm1      4.511 ppm2      1.289 CV     1
  ASSI { 1595}
    (( segid "    " and resid 12   and name HA  ))
    (  segid "    " and resid 6    and name HD% )
       3.000     1.200     1.700 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.12812E-02 ppm1      4.511 ppm2      7.181 CV     1
  ASSI { 1597}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
       4.300     2.500     1.700 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.25735E-03 ppm1      4.508 ppm2      7.945 CV     1
  ASSI { 1603}
    (( segid "    " and resid 12   and name HB1 ))
    (( segid "    " and resid 12   and name HG2 ))
       2.100     0.300     3.900 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.44515E-02 ppm1      2.120 ppm2      1.370 CV     1
  ASSI { 1608}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 12   and name HA  ))
       2.700     0.900     1.400 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      1.722 ppm2      4.525 CV     1
  ASSI { 1610}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 13   and name HB1 ))
       4.400     2.600     1.600 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.15163E-02 ppm1      1.722 ppm2      2.436 CV     1
  ASSI { 1611}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 12   and name HE  ))
       5.100     3.300     0.900 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.29352E-03 ppm1      1.733 ppm2      7.480 CV     1
  ASSI { 1613}
    (( segid "    " and resid 12   and name HD1 ))
    (( segid "    " and resid 12   and name HB1 ))
       2.800     1.000     1.600 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.10920E-02 ppm1      3.219 ppm2      2.126 CV     1
  ASSI { 1615}
    (( segid "    " and resid 12   and name HD1 ))
    (( segid "    " and resid 12   and name HG2 ))
       2.200     0.400     1.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.33665E-02 ppm1      3.216 ppm2      1.383 CV     1
  ASSI { 1616}
    (( segid "    " and resid 12   and name HD1 ))
    (( segid "    " and resid 12   and name HG1 ))
       2.900     1.100     1.600 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.27822E-02 ppm1      3.216 ppm2      1.289 CV     1
  ASSI { 1617}
    (( segid "    " and resid 12   and name HD1 ))
    (  segid "    " and resid 10   and name HD1%)
       4.900     3.100     1.100 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.62879E-03 ppm1      3.217 ppm2      1.018 CV     1
  ASSI { 1618}
    (( segid "    " and resid 12   and name HD1 ))
    (( segid "    " and resid 13   and name HN  ))
       5.400     3.600     0.600 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.45628E-03 ppm1      3.223 ppm2      8.558 CV     1
  ASSI { 1619}
    (( segid "    " and resid 12   and name HD1 ))
    (( segid "    " and resid 12   and name HE  ))
       3.000     1.200     1.900 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.76509E-03 ppm1      3.223 ppm2      7.437 CV     1
  ASSI { 1620}
    (( segid "    " and resid 12   and name HD1 ))
    (( segid "    " and resid 12   and name HN  ))
       4.700     2.900     1.300 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.53696E-03 ppm1      3.215 ppm2      6.813 CV     1
  ASSI { 1622}
    (( segid "    " and resid 12   and name HG1 ))
    (( segid "    " and resid 10   and name HA  ))
       5.200     3.400     0.800 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.73866E-03 ppm1      1.292 ppm2      3.986 CV     1
  ASSI { 1624}
    (( segid "    " and resid 12   and name HG1 ))
    (( segid "    " and resid 12   and name HB1 ))
       3.200     1.400     2.100 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.14189E-02 ppm1      1.283 ppm2      2.096 CV     1
  ASSI { 1626}
    (( segid "    " and resid 12   and name HG1 ))
    (( segid "    " and resid 12   and name HN  ))
       3.900     2.100     2.100 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.48271E-03 ppm1      1.287 ppm2      6.815 CV     1
  ASSI { 1630}
    (( segid "    " and resid 12   and name HG2 ))
    (( segid "    " and resid 12   and name HN  ))
       3.000     1.200     1.800 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.49245E-03 ppm1      1.386 ppm2      6.797 CV     1
  ASSI {  159}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 13   and name HB2 ))
       2.200     0.400     0.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.62602E-02 ppm1      8.562 ppm2      2.565 CV     1
  ASSI {  160}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 13   and name HB1 ))
       3.300     1.500     2.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.35890E-02 ppm1      8.567 ppm2      2.431 CV     1
  ASSI {  161}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 12   and name HB1 ))
       3.500     1.700     2.400 peak   161 spectrum    1 weight  0.10000E+01 volume  0.37838E-02 ppm1      8.562 ppm2      2.085 CV     1
  ASSI {  162}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 10   and name HB2 ))
       3.300     1.500     2.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.70113E-02 ppm1      8.562 ppm2      1.768 CV     1
  OR {  162}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 10   and name HG  ))
  ASSI {  164}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 12   and name HA  ))
       2.300     0.500     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.70390E-02 ppm1      8.571 ppm2      4.500 CV     1
  ASSI {  165}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 13   and name HA  ))
       4.000     2.200     2.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.22397E-03 ppm1      8.571 ppm2      5.601 CV     1
  ASSI {  166}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       5.000     3.200     1.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.17528E-03 ppm1      8.570 ppm2      6.789 CV     1
  ASSI {  169}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       5.600     3.800     0.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.18641E-03 ppm1      8.571 ppm2      9.791 CV     1
  ASSI { 1636}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HB2 ))
       3.300     1.500     2.200 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      5.608 ppm2      2.555 CV     1
  ASSI { 1637}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HB1 ))
       2.800     1.000     1.600 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      5.608 ppm2      2.409 CV     1
  ASSI { 1638}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 15   and name HB2 ))
       4.100     2.300     1.900 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.19336E-03 ppm1      5.608 ppm2      2.123 CV     1
  ASSI { 1639}
    (( segid "    " and resid 13   and name HA  ))
    (  segid "    " and resid 14   and name HB% )
       4.100     2.300     1.900 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.80822E-03 ppm1      5.607 ppm2      1.512 CV     1
  ASSI { 1642}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 5    and name HG11))
       5.400     3.600     0.600 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      5.619 ppm2      0.741 CV     1
  ASSI { 1643}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.800     1.000     1.500 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.15163E-02 ppm1      5.608 ppm2      9.790 CV     1
  ASSI { 1644}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       4.700     2.900     1.300 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.24762E-03 ppm1      5.606 ppm2      9.110 CV     1
  ASSI {  173}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 13   and name HB1 ))
       4.000     2.200     2.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.56061E-03 ppm1      9.783 ppm2      2.429 CV     1
  ASSI {  181}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 7    and name HN  ))
       4.900     3.100     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.10239E-03 ppm1      9.783 ppm2      7.963 CV     1
  ASSI {  184}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 16   and name HN  ))
       5.400     3.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.12909E-03 ppm1      9.784 ppm2      9.339 CV     1
  ASSI { 1649}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 13   and name HA  ))
       5.400     3.600     0.600 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.18780E-03 ppm1      4.687 ppm2      5.611 CV     1
  ASSI { 1651}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 35   and name HB1 ))
       5.600     3.800     0.400 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.25874E-03 ppm1      4.685 ppm2      4.024 CV     1
  ASSI { 1654}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 13   and name HB1 ))
       4.400     2.600     1.600 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.23510E-03 ppm1      4.691 ppm2      2.406 CV     1
  ASSI { 1655}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HB1 ))
       5.500     3.700     0.500 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.26292E-03 ppm1      4.686 ppm2      2.104 CV     1
  OR { 1655}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HB2 ))
  ASSI { 1657}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 14   and name HB% )
       2.600     0.800     1.400 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.23370E-02 ppm1      4.686 ppm2      1.521 CV     1
  ASSI { 1658}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 10   and name HD1%)
       4.700     2.900     1.300 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.31578E-03 ppm1      4.687 ppm2      1.052 CV     1
  ASSI { 1661}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       3.600     1.800     2.400 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.49662E-03 ppm1      4.686 ppm2      9.808 CV     1
  ASSI { 1665}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       2.800     1.000     1.500 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      4.686 ppm2      8.539 CV     1
  ASSI { 1671}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 35   and name HB1 ))
       2.300     0.500     1.000 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.19476E-02 ppm1      1.532 ppm2      4.039 CV     1
  ASSI { 1673}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 7    and name HB1 ))
       3.300     1.500     2.200 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.12506E-02 ppm1      1.530 ppm2      3.193 CV     1
  ASSI { 1674}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 7    and name HB2 ))
       2.900     1.100     1.700 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      1.531 ppm2      2.747 CV     1
  ASSI { 1679}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 35   and name HN  ))
       4.100     2.300     1.900 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.91814E-03 ppm1      1.533 ppm2     10.939 CV     1
  ASSI { 1682}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 15   and name HN  ))
       2.700     0.900     1.400 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.18641E-02 ppm1      1.532 ppm2      8.541 CV     1
  ASSI { 1683}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 38   and name HN  ))
       4.900     3.100     1.100 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.88197E-03 ppm1      1.529 ppm2      8.299 CV     1
  ASSI { 1684}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 7    and name HN  ))
       3.200     1.400     2.000 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.13201E-02 ppm1      1.536 ppm2      7.983 CV     1
  ASSI { 1687}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 12   and name HN  ))
       2.000     0.200     4.000 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.55087E-03 ppm1      1.532 ppm2      6.800 CV     1
  ASSI {  187}
    (( segid "    " and resid 15   and name HN  ))
    (  segid "    " and resid 4    and name HG2%)
       3.400     1.600     2.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      8.523 ppm2      1.206 CV     1
  ASSI {  189}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 15   and name HB1 ))
       2.400     0.600     1.100 peak   189 spectrum    1 weight  0.10000E+01 volume  0.26152E-02 ppm1      8.530 ppm2      2.098 CV     1
  OR {  189}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 15   and name HB2 ))
  ASSI {  190}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 15   and name HG1 ))
       4.000     2.200     2.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.76373E-03 ppm1      8.530 ppm2      2.565 CV     1
  ASSI {  192}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 16   and name HA2 ))
       4.300     2.500     1.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.44237E-03 ppm1      8.525 ppm2      3.333 CV     1
  ASSI {  200}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 16   and name HN  ))
       5.200     3.400     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.23788E-03 ppm1      8.530 ppm2      9.326 CV     1
  ASSI {  201}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       5.200     3.400     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.14328E-03 ppm1      8.530 ppm2      9.793 CV     1
  ASSI { 1689}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HG1 ))
       2.400     0.600     1.100 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.30326E-02 ppm1      4.634 ppm2      2.559 CV     1
  ASSI { 1691}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HB1 ))
       2.300     0.500     1.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.33665E-02 ppm1      4.629 ppm2      2.081 CV     1
  ASSI { 1693}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 4    and name HG2%)
       3.100     1.300     1.900 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      4.628 ppm2      1.196 CV     1
  ASSI { 1694}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       2.600     0.800     1.400 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      4.635 ppm2      9.341 CV     1
  ASSI { 1696}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       2.700     0.900     1.500 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.17945E-02 ppm1      4.630 ppm2      8.530 CV     1
  ASSI { 1698}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 15   and name HN  ))
       2.900     1.100     1.700 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.42011E-02 ppm1      2.075 ppm2      8.534 CV     1
  ASSI { 1699}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 16   and name HN  ))
       3.100     1.300     1.900 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.10099E-02 ppm1      2.075 ppm2      9.326 CV     1
  ASSI { 1701}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HG1 ))
       2.600     0.800     1.400 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.55366E-02 ppm1      2.127 ppm2      2.560 CV     1
  ASSI { 1702}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       2.100     0.300     3.900 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.35056E-02 ppm1      2.130 ppm2      8.534 CV     1
  ASSI { 1703}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       4.200     2.400     1.800 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.80126E-03 ppm1      2.128 ppm2      9.333 CV     1
  ASSI { 1710}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 15   and name HB2 ))
       2.500     0.700     1.300 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.29352E-02 ppm1      2.570 ppm2      2.091 CV     1
  OR { 1710}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 15   and name HB1 ))
  ASSI { 1712}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 34   and name HG12))
       2.300     0.500     1.100 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.80126E-03 ppm1      2.567 ppm2      1.150 CV     1
  ASSI { 1715}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 16   and name HN  ))
       4.200     2.400     1.800 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.61345E-03 ppm1      2.568 ppm2      9.340 CV     1
  ASSI {  203}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 5    and name HG11))
       3.700     1.900     2.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.47019E-03 ppm1      9.324 ppm2      0.748 CV     1
  ASSI {  207}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 15   and name HB2 ))
       3.700     1.900     2.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.53279E-03 ppm1      9.324 ppm2      2.099 CV     1
  OR {  207}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 15   and name HB1 ))
  ASSI {  210}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 16   and name HA1 ))
       3.100     1.300     2.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.50080E-03 ppm1      9.324 ppm2      4.168 CV     1
  ASSI {  214}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 5    and name HN  ))
       4.000     2.200     2.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.55087E-03 ppm1      9.324 ppm2      9.091 CV     1
  ASSI {  215}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 17   and name HN  ))
       4.300     2.500     1.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.83329E-04 ppm1      9.325 ppm2      9.970 CV     1
  ASSI { 1725}
    (( segid "    " and resid 16   and name HA1 ))
    (  segid "    " and resid 5    and name HD1%)
       4.600     2.800     1.400 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.77069E-03 ppm1      4.162 ppm2      0.653 CV     1
  ASSI { 1726}
    (( segid "    " and resid 16   and name HA1 ))
    (( segid "    " and resid 17   and name HN  ))
       3.600     1.800     2.400 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.45767E-03 ppm1      4.167 ppm2      9.986 CV     1
  ASSI { 1729}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 5    and name HG11))
       3.200     1.400     2.000 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.10475E-02 ppm1      3.369 ppm2      0.726 CV     1
  ASSI { 1730}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 5    and name HG12))
       3.200     1.400     2.100 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.36725E-03 ppm1      3.371 ppm2      1.112 CV     1
  ASSI { 1734}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.000     1.200     1.800 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.41038E-03 ppm1      3.373 ppm2      9.983 CV     1
  ASSI { 1735}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 16   and name HN  ))
       3.500     1.700     2.500 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.70390E-03 ppm1      3.368 ppm2      9.323 CV     1
  ASSI { 1737}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 36   and name HN  ))
       4.900     3.100     1.100 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.10280E-03 ppm1      3.366 ppm2      8.632 CV     1
  ASSI {  217}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 5    and name HG11))
       4.800     3.000     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.21562E-03 ppm1      9.971 ppm2      0.736 CV     1
  ASSI {  219}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 36   and name HD2 ))
       3.400     1.600     2.300 peak   219 spectrum    1 weight  0.10000E+01 volume  0.20588E-03 ppm1      9.971 ppm2      1.469 CV     1
  ASSI {  230}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 17   and name HE21))
       6.000     4.200     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.32691E-04 ppm1      9.970 ppm2      7.309 CV     1
  ASSI {  233}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       6.000     4.200     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.81795E-04 ppm1      9.971 ppm2      9.026 CV     1
  ASSI { 1745}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HG1 ))
       1.800     0.000     4.200 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.97514E-02 ppm1      4.088 ppm2      2.251 CV     1
  ASSI { 1746}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HB2 ))
       2.100     0.300     0.800 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.96404E-02 ppm1      4.112 ppm2      1.854 CV     1
  ASSI { 1747}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 36   and name HD1 ))
       2.600     0.800     1.400 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.79429E-02 ppm1      4.098 ppm2      1.439 CV     1
  ASSI { 1749}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 74   and name HB1 ))
       2.600     0.800     1.300 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.11268E-02 ppm1      4.092 ppm2      0.460 CV     1
  ASSI { 1752}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       2.800     1.000     1.600 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.51749E-03 ppm1      4.094 ppm2      9.989 CV     1
  ASSI { 1753}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       2.700     0.900     1.500 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.87359E-03 ppm1      4.095 ppm2      8.997 CV     1
  ASSI { 1761}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 64   and name HA  ))
       2.100     0.300     0.900 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.58011E-02 ppm1      2.323 ppm2      4.248 CV     1
  ASSI { 1762}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 36   and name HE2 ))
       5.300     3.500     0.700 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.47854E-03 ppm1      2.312 ppm2      3.111 CV     1
  ASSI { 1768}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 17   and name HN  ))
       4.100     2.300     1.900 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.50775E-03 ppm1      2.324 ppm2      9.990 CV     1
  ASSI { 1769}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 18   and name HN  ))
       2.500     0.700     1.300 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.52722E-03 ppm1      2.324 ppm2      9.004 CV     1
  ASSI { 1771}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 68   and name HN  ))
       2.400     0.600     1.100 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.24066E-02 ppm1      2.323 ppm2      8.065 CV     1
  ASSI { 1772}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 17   and name HE21))
       3.900     2.100     2.100 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.10962E-02 ppm1      2.337 ppm2      7.356 CV     1
  ASSI { 1776}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HG2 ))
       2.500     0.700     1.300 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.15580E-02 ppm1      1.853 ppm2      2.615 CV     1
  ASSI { 1777}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.200     1.400     2.100 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.73169E-03 ppm1      1.870 ppm2      9.992 CV     1
  ASSI { 1780}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HE21))
       5.300     3.500     0.700 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.13201E-03 ppm1      1.863 ppm2      7.318 CV     1
  ASSI { 1783}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 39   and name HB1 ))
       3.200     1.400     2.800 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      2.244 ppm2      3.424 CV     1
  ASSI { 1784}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 36   and name HD2 ))
       3.500     1.700     2.500 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      2.224 ppm2      1.470 CV     1
  ASSI { 1785}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 17   and name HN  ))
       4.400     2.600     1.600 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.26152E-03 ppm1      2.224 ppm2      9.993 CV     1
  ASSI { 1786}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 18   and name HN  ))
       4.300     2.500     1.700 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.37142E-03 ppm1      2.235 ppm2      9.032 CV     1
  ASSI { 1787}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 17   and name HE21))
       2.300     0.500     3.700 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.11602E-02 ppm1      2.220 ppm2      7.329 CV     1
  ASSI { 1789}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 39   and name HB1 ))
       5.000     3.200     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.12116E-03 ppm1      2.617 ppm2      3.421 CV     1
  ASSI { 1790}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HN  ))
       4.900     3.100     1.100 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.29491E-03 ppm1      2.617 ppm2      9.989 CV     1
  ASSI { 1791}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 18   and name HN  ))
       5.300     3.500     0.700 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.16972E-03 ppm1      2.609 ppm2      8.996 CV     1
  ASSI { 1792}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HE21))
       3.300     1.500     2.100 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.48410E-03 ppm1      2.616 ppm2      7.350 CV     1
  ASSI {  236}
    (( segid "    " and resid 18   and name HN  ))
    (  segid "    " and resid 21   and name HD1%)
       4.400     2.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.40898E-03 ppm1      8.999 ppm2      0.820 CV     1
  ASSI {  237}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 36   and name HD2 ))
       3.500     1.700     2.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.10586E-02 ppm1      8.998 ppm2      1.472 CV     1
  ASSI {  239}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 18   and name HB1 ))
       2.700     0.900     1.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.21562E-02 ppm1      9.000 ppm2      2.445 CV     1
  ASSI {  240}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 36   and name HE2 ))
       4.800     3.000     1.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.57451E-03 ppm1      9.000 ppm2      3.147 CV     1
  ASSI {  247}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       2.900     1.100     1.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.50497E-03 ppm1      9.001 ppm2      7.771 CV     1
  ASSI { 1796}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 19   and name HB1 ))
       2.800     1.000     3.200 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.85276E-02 ppm1      4.563 ppm2      3.205 CV     1
  ASSI { 1797}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       2.400     0.600     1.100 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.68024E-02 ppm1      4.560 ppm2      2.499 CV     1
  ASSI { 1799}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       2.600     0.800     1.400 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.22535E-02 ppm1      4.563 ppm2      9.009 CV     1
  ASSI { 1800}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 77   and name HN  ))
       2.500     0.700     1.300 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.12270E-02 ppm1      4.565 ppm2      8.752 CV     1
  ASSI { 1801}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 78   and name HN  ))
       3.800     2.000     2.200 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.13911E-02 ppm1      4.564 ppm2      8.111 CV     1
  ASSI { 1802}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 76   and name HN  ))
       2.400     0.600     1.200 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.25179E-02 ppm1      4.566 ppm2      7.684 CV     1
  ASSI { 1803}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 19   and name HD% )
       4.100     2.300     1.900 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.11435E-02 ppm1      4.564 ppm2      7.240 CV     1
  ASSI { 1805}
    (( segid "    " and resid 18   and name HB1 ))
    (( segid "    " and resid 18   and name HA  ))
       3.200     1.400     2.000 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.11295E-02 ppm1      2.415 ppm2      4.556 CV     1
  ASSI { 1809}
    (( segid "    " and resid 18   and name HB1 ))
    (  segid "    " and resid 19   and name HD% )
       4.700     2.900     1.300 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.67605E-03 ppm1      2.410 ppm2      7.197 CV     1
  ASSI { 1812}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       3.800     2.000     2.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.71222E-03 ppm1      2.499 ppm2      9.011 CV     1
  ASSI { 1813}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
       4.400     2.600     1.600 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.20866E-03 ppm1      2.500 ppm2      7.778 CV     1
  ASSI {  251}
    (( segid "    " and resid 19   and name HN  ))
    (  segid "    " and resid 21   and name HD1%)
       4.000     2.200     2.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.25874E-03 ppm1      7.769 ppm2      0.834 CV     1
  ASSI {  253}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 17   and name HB2 ))
       5.900     4.100     0.100 peak   253 spectrum    1 weight  0.10000E+01 volume  0.45211E-03 ppm1      7.768 ppm2      1.853 CV     1
  ASSI {  254}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 18   and name HB1 ))
       3.300     1.500     2.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.19058E-02 ppm1      7.768 ppm2      2.420 CV     1
  ASSI {  255}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 19   and name HB2 ))
       3.000     1.200     1.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.90144E-03 ppm1      7.768 ppm2      2.756 CV     1
  ASSI {  258}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 18   and name HA  ))
       4.000     2.200     2.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.48271E-03 ppm1      7.768 ppm2      4.585 CV     1
  ASSI {  259}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 19   and name HA  ))
       3.000     1.200     1.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      7.768 ppm2      4.800 CV     1
  ASSI {  264}
    (( segid "    " and resid 19   and name HN  ))
    (  segid "    " and resid 19   and name HD% )
       3.600     1.800     2.400 peak   264 spectrum    1 weight  0.10000E+01 volume  0.81518E-03 ppm1      7.763 ppm2      7.217 CV     1
  ASSI { 1819}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       5.000     3.200     1.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.17249E-03 ppm1      4.812 ppm2      2.492 CV     1
  ASSI { 1822}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 20   and name HB2 ))
       6.000     4.200     0.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.39507E-04 ppm1      4.811 ppm2      1.742 CV     1
  ASSI { 1824}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 20   and name HB1 ))
       6.000     4.200     0.000 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.29352E-03 ppm1      4.808 ppm2      1.370 CV     1
  ASSI { 1825}
    (( segid "    " and resid 19   and name HA  ))
    (  segid "    " and resid 21   and name HD1%)
       5.500     3.700     0.500 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.14467E-03 ppm1      4.809 ppm2      0.843 CV     1
  ASSI { 1829}
    (( segid "    " and resid 19   and name HA  ))
    (  segid "    " and resid 19   and name HD% )
       3.400     1.600     2.300 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.78597E-03 ppm1      4.811 ppm2      7.208 CV     1
  ASSI { 1833}
    (( segid "    " and resid 19   and name HB1 ))
    (( segid "    " and resid 19   and name HA  ))
       2.700     0.900     1.400 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.21006E-02 ppm1      3.205 ppm2      4.811 CV     1
  ASSI { 1835}
    (( segid "    " and resid 19   and name HB1 ))
    (( segid "    " and resid 18   and name HB2 ))
       6.000     4.200     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.17110E-03 ppm1      3.204 ppm2      2.497 CV     1
  ASSI { 1836}
    (( segid "    " and resid 19   and name HB1 ))
    (  segid "    " and resid 21   and name HD1%)
       3.400     1.600     2.300 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.11352E-02 ppm1      3.202 ppm2      0.837 CV     1
  ASSI { 1838}
    (( segid "    " and resid 19   and name HB1 ))
    (( segid "    " and resid 19   and name HN  ))
       5.200     3.400     0.800 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.19197E-03 ppm1      3.202 ppm2      7.777 CV     1
  ASSI { 1839}
    (( segid "    " and resid 19   and name HB1 ))
    (  segid "    " and resid 19   and name HD% )
       3.200     1.400     2.000 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.12409E-02 ppm1      3.202 ppm2      7.203 CV     1
  ASSI { 1841}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HA  ))
       3.300     1.500     2.200 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      2.760 ppm2      4.800 CV     1
  ASSI { 1843}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 21   and name HA  ))
       5.700     3.900     0.300 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.71222E-04 ppm1      2.764 ppm2      4.326 CV     1
  ASSI { 1846}
    (( segid "    " and resid 19   and name HB2 ))
    (  segid "    " and resid 21   and name HD1%)
       4.300     2.500     1.700 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.22953E-03 ppm1      2.761 ppm2      0.835 CV     1
  ASSI { 1848}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       6.000     4.200     0.000 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.44097E-04 ppm1      2.765 ppm2      8.988 CV     1
  ASSI { 1849}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       6.000     4.200     0.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.92369E-04 ppm1      2.757 ppm2      8.012 CV     1
  ASSI { 1851}
    (( segid "    " and resid 19   and name HB2 ))
    (  segid "    " and resid 19   and name HD% )
       3.000     1.200     1.800 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.13160E-02 ppm1      2.761 ppm2      7.188 CV     1
  ASSI { 1857}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 31   and name HB1 ))
       3.500     1.700     2.500 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.25735E-02 ppm1      4.062 ppm2      2.985 CV     1
  ASSI { 1861}
    (( segid "    " and resid 20   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
       3.300     1.500     2.200 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.21423E-02 ppm1      4.064 ppm2      6.880 CV     1
  ASSI { 1866}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
       3.300     1.500     2.100 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.12951E-02 ppm1      1.749 ppm2      8.255 CV     1
  ASSI { 1869}
    (( segid "    " and resid 74   and name HG  ))
    (( segid "    " and resid 74   and name HN  ))
       2.600     0.800     1.300 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      1.749 ppm2      8.507 CV     1
  ASSI { 1871}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 20   and name HA  ))
       2.500     0.700     1.200 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.23092E-02 ppm1      1.399 ppm2      4.088 CV     1
  ASSI { 1874}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 22   and name HB2 ))
       3.200     1.400     2.800 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.32273E-02 ppm1      1.379 ppm2      3.172 CV     1
  ASSI { 1877}
    (( segid "    " and resid 70   and name HG1 ))
    (( segid "    " and resid 74   and name HB1 ))
       4.800     3.000     1.200 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.35612E-03 ppm1      2.200 ppm2      0.448 CV     1
  ASSI { 1879}
    (( segid "    " and resid 20   and name HG1 ))
    (( segid "    " and resid 20   and name HE22))
       4.400     2.600     1.600 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.44654E-03 ppm1      2.207 ppm2      6.653 CV     1
  ASSI { 1880}
    (( segid "    " and resid 20   and name HG2 ))
    (( segid "    " and resid 20   and name HA  ))
       2.700     0.900     1.500 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.13271E-02 ppm1      2.320 ppm2      4.078 CV     1
  ASSI { 1881}
    (( segid "    " and resid 20   and name HG2 ))
    (( segid "    " and resid 20   and name HB1 ))
       2.500     0.700     1.300 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      2.308 ppm2      1.401 CV     1
  ASSI { 1883}
    (( segid "    " and resid 20   and name HG2 ))
    (( segid "    " and resid 20   and name HE22))
       3.700     1.900     2.300 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.62879E-03 ppm1      2.309 ppm2      6.655 CV     1
  ASSI {  268}
    (( segid "    " and resid 21   and name HN  ))
    (  segid "    " and resid 21   and name HD1%)
       3.300     1.500     2.200 peak   268 spectrum    1 weight  0.10000E+01 volume  0.42707E-03 ppm1      7.993 ppm2      0.836 CV     1
  ASSI {  272}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 22   and name HB2 ))
       5.800     4.000     0.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.90699E-04 ppm1      7.993 ppm2      3.164 CV     1
  ASSI {  274}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
       3.000     1.200     1.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.51470E-03 ppm1      7.993 ppm2      4.063 CV     1
  ASSI {  275}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 21   and name HA  ))
       3.500     1.700     2.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.43263E-03 ppm1      7.993 ppm2      4.318 CV     1
  ASSI {  278}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 20   and name HE22))
       6.000     4.200     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.76096E-04 ppm1      7.992 ppm2      6.636 CV     1
  ASSI {  279}
    (( segid "    " and resid 21   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
       5.800     4.000     0.200 peak   279 spectrum    1 weight  0.10000E+01 volume  0.11477E-03 ppm1      7.993 ppm2      6.860 CV     1
  ASSI {  282}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 22   and name HN  ))
       3.300     1.500     2.200 peak   282 spectrum    1 weight  0.10000E+01 volume  0.33525E-03 ppm1      7.994 ppm2      8.255 CV     1
  ASSI { 1886}
    (( segid "    " and resid 21   and name HA  ))
    (  segid "    " and resid 21   and name HD1%)
       3.300     1.500     2.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.25040E-02 ppm1      4.314 ppm2      0.840 CV     1
  ASSI { 1890}
    (( segid "    " and resid 21   and name HB1 ))
    (( segid "    " and resid 22   and name HN  ))
       4.400     2.600     1.600 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.40063E-03 ppm1      1.444 ppm2      8.259 CV     1
  ASSI { 1891}
    (( segid "    " and resid 21   and name HB1 ))
    (( segid "    " and resid 21   and name HN  ))
       4.100     2.300     1.900 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.74981E-03 ppm1      1.446 ppm2      8.006 CV     1
  ASSI { 1892}
    (( segid "    " and resid 21   and name HB1 ))
    (  segid "    " and resid 22   and name HD% )
       3.700     1.900     2.300 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.96127E-03 ppm1      1.440 ppm2      7.317 CV     1
  ASSI { 1898}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 20   and name HA  ))
       2.900     1.100     1.700 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.22535E-02 ppm1      0.825 ppm2      4.078 CV     1
  ASSI { 1905}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 21   and name HG  ))
       2.100     0.300     0.900 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.85135E-02 ppm1      0.826 ppm2      1.498 CV     1
  ASSI { 1907}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 39   and name HE1 ))
       3.700     1.900     2.300 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.67469E-03 ppm1      0.824 ppm2     10.182 CV     1
  ASSI { 1908}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 22   and name HN  ))
       4.900     3.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.47297E-03 ppm1      0.818 ppm2      8.290 CV     1
  ASSI { 1911}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 20   and name HN  ))
       4.000     2.200     2.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.94870E-03 ppm1      0.817 ppm2      8.035 CV     1
  ASSI { 1912}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 39   and name HZ2 ))
       4.100     2.300     1.900 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.71500E-03 ppm1      0.824 ppm2      7.809 CV     1
  ASSI {  287}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 23   and name HD1 ))
       2.600     0.800     1.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.11644E-02 ppm1      8.268 ppm2      2.754 CV     1
  ASSI {  288}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 22   and name HB1 ))
       3.900     2.100     2.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      8.268 ppm2      3.085 CV     1
  ASSI {  289}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 23   and name HD2 ))
       4.100     2.300     1.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.32830E-03 ppm1      8.268 ppm2      3.508 CV     1
  ASSI {  292}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HA  ))
       2.600     0.800     1.400 peak   292 spectrum    1 weight  0.10000E+01 volume  0.22675E-02 ppm1      8.268 ppm2      4.291 CV     1
  ASSI {  293}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HE22))
       5.700     3.900     0.300 peak   293 spectrum    1 weight  0.10000E+01 volume  0.18084E-03 ppm1      8.267 ppm2      6.639 CV     1
  ASSI {  295}
    (( segid "    " and resid 22   and name HN  ))
    (  segid "    " and resid 22   and name HD% )
       3.400     1.600     2.300 peak   295 spectrum    1 weight  0.10000E+01 volume  0.79294E-03 ppm1      8.263 ppm2      7.324 CV     1
  ASSI { 1923}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 82   and name HG12))
       5.500     3.700     0.500 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.41733E-03 ppm1      4.712 ppm2      1.164 CV     1
  ASSI { 1924}
    (( segid "    " and resid 81   and name HA  ))
    (  segid "    " and resid 82   and name HD1%)
       4.800     3.000     1.200 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.66909E-03 ppm1      4.711 ppm2      0.870 CV     1
  ASSI { 1930}
    (( segid "    " and resid 22   and name HA  ))
    (  segid "    " and resid 22   and name HE% )
       4.700     2.900     1.300 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.37559E-03 ppm1      4.711 ppm2      7.063 CV     1
  ASSI { 1933}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HA2 ))
       3.600     1.800     2.400 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      4.562 ppm2      4.199 CV     1
  ASSI { 1934}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HA1 ))
       5.100     3.300     0.900 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.10085E-03 ppm1      4.555 ppm2      3.964 CV     1
  ASSI { 1936}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HD1 ))
       4.300     2.500     1.700 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.26709E-03 ppm1      4.555 ppm2      2.731 CV     1
  ASSI { 1937}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HB1 ))
       2.700     0.900     1.400 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      4.554 ppm2      2.271 CV     1
  ASSI { 1938}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HB2 ))
       3.000     1.200     1.800 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      4.555 ppm2      1.923 CV     1
  OR { 1938}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HG2 ))
  ASSI { 1941}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       3.100     1.300     2.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.10155E-02 ppm1      4.554 ppm2      8.601 CV     1
  ASSI { 1951}
    (( segid "    " and resid 23   and name HB1 ))
    (( segid "    " and resid 20   and name HE22))
       5.400     3.600     0.600 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.48132E-03 ppm1      2.272 ppm2      6.644 CV     1
  ASSI { 1954}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HD2 ))
       4.100     2.300     1.900 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.71918E-03 ppm1      1.942 ppm2      3.495 CV     1
  ASSI { 1955}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HD1 ))
       4.400     2.600     1.600 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.43541E-03 ppm1      1.954 ppm2      2.740 CV     1
  ASSI { 1957}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
       2.800     1.000     1.600 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.31439E-02 ppm1      1.947 ppm2      8.604 CV     1
  ASSI { 1967}
    (( segid "    " and resid 23   and name HD1 ))
    (  segid "    " and resid 21   and name HD1%)
       6.000     4.200     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.26709E-04 ppm1      2.721 ppm2      0.864 CV     1
  ASSI { 1970}
    (( segid "    " and resid 23   and name HD1 ))
    (  segid "    " and resid 31   and name HE% )
       5.100     3.300     0.900 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.68579E-04 ppm1      2.734 ppm2      7.049 CV     1
  ASSI { 1974}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 22   and name HB2 ))
       5.300     3.500     0.700 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.28656E-03 ppm1      3.521 ppm2      3.120 CV     1
  ASSI { 1977}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 23   and name HB1 ))
       4.800     3.000     1.200 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.21701E-03 ppm1      3.522 ppm2      2.271 CV     1
  ASSI { 1980}
    (( segid "    " and resid 23   and name HD2 ))
    (  segid "    " and resid 21   and name HD1%)
       6.000     4.200     0.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.83329E-04 ppm1      3.525 ppm2      0.813 CV     1
  ASSI { 1986}
    (( segid "    " and resid 23   and name HG1 ))
    (( segid "    " and resid 23   and name HD2 ))
       2.900     1.100     1.700 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.87082E-03 ppm1      1.797 ppm2      3.510 CV     1
  ASSI { 1995}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 23   and name HD2 ))
       2.500     0.700     1.300 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.78179E-03 ppm1      1.889 ppm2      3.513 CV     1
  ASSI { 1996}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 23   and name HD1 ))
       2.700     0.900     1.500 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      1.889 ppm2      2.748 CV     1
  ASSI { 1997}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 23   and name HB1 ))
       2.600     0.800     1.400 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.48410E-02 ppm1      1.888 ppm2      2.269 CV     1
  ASSI { 2000}
    (( segid "    " and resid 65   and name HG  ))
    (( segid "    " and resid 65   and name HN  ))
       4.000     2.200     2.000 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.74562E-03 ppm1      1.912 ppm2      7.849 CV     1
  ASSI {  300}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HG2 ))
       3.000     1.200     1.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.95708E-03 ppm1      8.589 ppm2      1.921 CV     1
  OR {  300}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HB2 ))
  ASSI {  301}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HB1 ))
       4.000     2.200     2.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.69417E-03 ppm1      8.589 ppm2      2.269 CV     1
  ASSI {  302}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HD1 ))
       5.300     3.500     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.12771E-03 ppm1      8.589 ppm2      2.712 CV     1
  ASSI {  303}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 22   and name HB1 ))
       5.800     4.000     0.200 peak   303 spectrum    1 weight  0.10000E+01 volume  0.31856E-04 ppm1      8.588 ppm2      3.071 CV     1
  ASSI {  304}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HD2 ))
       4.300     2.500     1.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.68166E-04 ppm1      8.590 ppm2      3.514 CV     1
  ASSI {  306}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 24   and name HA2 ))
       2.700     0.900     1.500 peak   306 spectrum    1 weight  0.10000E+01 volume  0.14885E-02 ppm1      8.589 ppm2      4.185 CV     1
  ASSI {  309}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 20   and name HE22))
       5.800     4.000     0.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      8.589 ppm2      6.631 CV     1
  ASSI {  310}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       5.600     3.800     0.400 peak   310 spectrum    1 weight  0.10000E+01 volume  0.66909E-04 ppm1      8.590 ppm2      7.425 CV     1
  ASSI {  313}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       4.800     3.000     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.47158E-03 ppm1      8.590 ppm2      8.863 CV     1
  ASSI { 2007}
    (( segid "    " and resid 24   and name HA1 ))
    (( segid "    " and resid 25   and name HG2 ))
       5.300     3.500     0.700 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.88056E-03 ppm1      3.993 ppm2      2.375 CV     1
  ASSI { 2008}
    (( segid "    " and resid 24   and name HA1 ))
    (( segid "    " and resid 25   and name HN  ))
       2.400     0.600     1.200 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.32413E-02 ppm1      3.994 ppm2      8.817 CV     1
  ASSI { 2009}
    (( segid "    " and resid 24   and name HA1 ))
    (( segid "    " and resid 24   and name HN  ))
       3.000     1.200     1.800 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.24066E-02 ppm1      3.995 ppm2      8.608 CV     1
  ASSI { 2015}
    (( segid "    " and resid 24   and name HA2 ))
    (( segid "    " and resid 25   and name HB1 ))
       6.000     4.200     0.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.14885E-03 ppm1      4.197 ppm2      2.103 CV     1
  OR { 2015}
    (( segid "    " and resid 24   and name HA2 ))
    (( segid "    " and resid 25   and name HB2 ))
  ASSI { 2017}
    (( segid "    " and resid 24   and name HA2 ))
    (( segid "    " and resid 25   and name HN  ))
       3.700     1.900     2.300 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.43263E-03 ppm1      4.206 ppm2      8.854 CV     1
  ASSI {  317}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 25   and name HB1 ))
       3.600     1.800     2.400 peak   317 spectrum    1 weight  0.10000E+01 volume  0.47576E-03 ppm1      8.843 ppm2      2.091 CV     1
  OR {  317}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 25   and name HB2 ))
  ASSI {  318}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 25   and name HG2 ))
       5.100     3.300     0.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.31160E-03 ppm1      8.839 ppm2      2.418 CV     1
  ASSI {  323}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       5.200     3.400     0.800 peak   323 spectrum    1 weight  0.10000E+01 volume  0.73033E-04 ppm1      8.843 ppm2      7.442 CV     1
  ASSI {  325}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
       4.100     2.300     1.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.15997E-03 ppm1      8.845 ppm2      9.095 CV     1
  ASSI { 2022}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.500     0.700     1.300 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.38673E-02 ppm1      4.023 ppm2      8.294 CV     1
  ASSI { 2023}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.800     1.000     3.200 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.31578E-02 ppm1      4.023 ppm2      8.068 CV     1
  ASSI { 2024}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       3.200     1.400     2.100 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      4.026 ppm2      7.447 CV     1
  ASSI { 2027}
    (( segid "    " and resid 25   and name HB1 ))
    (( segid "    " and resid 25   and name HG2 ))
       2.100     0.300     0.800 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.10141E-01 ppm1      2.073 ppm2      2.406 CV     1
  ASSI { 2028}
    (( segid "    " and resid 25   and name HB1 ))
    (( segid "    " and resid 25   and name HN  ))
       3.800     2.000     2.200 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.15997E-02 ppm1      2.072 ppm2      8.848 CV     1
  ASSI { 2031}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
       2.800     1.000     1.600 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.12506E-02 ppm1      2.116 ppm2      8.844 CV     1
  ASSI { 2032}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       2.400     0.600     1.200 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.22953E-02 ppm1      2.114 ppm2      9.119 CV     1
  ASSI {  327}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 26   and name HG  ))
       5.600     3.800     0.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.18501E-03 ppm1      9.097 ppm2      1.545 CV     1
  ASSI {  330}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 26   and name HA  ))
       3.300     1.500     2.100 peak   330 spectrum    1 weight  0.10000E+01 volume  0.69139E-03 ppm1      9.092 ppm2      4.271 CV     1
  ASSI {  332}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       4.000     2.200     2.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.15719E-03 ppm1      9.092 ppm2      7.449 CV     1
  ASSI { 2038}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 26   and name HB1 ))
       2.900     1.100     1.700 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.27544E-02 ppm1      4.289 ppm2      1.778 CV     1
  ASSI { 2044}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.700     0.900     1.500 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.25874E-02 ppm1      4.298 ppm2      8.058 CV     1
  ASSI { 2045}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       3.800     2.000     2.200 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.41455E-03 ppm1      4.287 ppm2      7.476 CV     1
  ASSI { 2048}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 26   and name HA  ))
       2.800     1.000     1.600 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.14467E-02 ppm1      0.923 ppm2      4.284 CV     1
  ASSI { 2052}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 29   and name HD1 ))
       2.700     0.900     1.400 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      0.917 ppm2      2.863 CV     1
  ASSI { 2055}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 26   and name HB1 ))
       3.600     1.800     2.400 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.21701E-02 ppm1      0.924 ppm2      1.777 CV     1
  ASSI { 2060}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 30   and name HN  ))
       3.800     2.000     2.200 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      0.916 ppm2      8.541 CV     1
  ASSI { 2063}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 27   and name HN  ))
       4.700     2.900     1.300 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.57174E-03 ppm1      0.922 ppm2      7.420 CV     1
  ASSI { 2064}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 29   and name HE  ))
       3.900     2.100     2.100 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.12854E-02 ppm1      0.925 ppm2      7.124 CV     1
  ASSI { 2066}
    (( segid "    " and resid 26   and name HG  ))
    (( segid "    " and resid 26   and name HA  ))
       2.700     0.900     1.500 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.34221E-02 ppm1      1.513 ppm2      4.282 CV     1
  ASSI { 2067}
    (( segid "    " and resid 26   and name HG  ))
    (( segid "    " and resid 75   and name HB1 ))
       4.300     2.500     1.700 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.10656E-02 ppm1      1.511 ppm2      3.141 CV     1
  ASSI { 2068}
    (( segid "    " and resid 29   and name HG2 ))
    (( segid "    " and resid 29   and name HE  ))
       2.600     0.800     1.300 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      1.502 ppm2      7.135 CV     1
  ASSI {  341}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 23   and name HD2 ))
       6.000     4.200     0.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.16972E-04 ppm1      7.454 ppm2      3.517 CV     1
  ASSI {  342}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 27   and name HA2 ))
       3.300     1.500     2.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.86250E-03 ppm1      7.452 ppm2      3.897 CV     1
  ASSI {  350}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 28   and name HN  ))
       3.200     1.400     2.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.60372E-03 ppm1      7.454 ppm2      8.259 CV     1
  ASSI { 2072}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 23   and name HD1 ))
       6.000     4.200     0.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.23510E-03 ppm1      3.853 ppm2      2.752 CV     1
  ASSI { 2073}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 23   and name HB1 ))
       5.900     4.100     0.100 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.33386E-03 ppm1      3.860 ppm2      2.274 CV     1
  ASSI { 2078}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 30   and name HN  ))
       4.200     2.400     1.800 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.11921E-03 ppm1      3.873 ppm2      8.540 CV     1
  ASSI { 2090}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 30   and name HN  ))
       5.400     3.600     0.600 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.74426E-04 ppm1      4.569 ppm2      8.543 CV     1
  ASSI { 2093}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 27   and name HN  ))
       2.800     1.000     1.500 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.66773E-03 ppm1      4.564 ppm2      7.470 CV     1
  ASSI { 2094}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 20   and name HE22))
       6.000     4.200     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.99048E-04 ppm1      4.564 ppm2      6.640 CV     1
  ASSI {  363}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 27   and name HA1 ))
       3.300     1.500     2.200 peak   363 spectrum    1 weight  0.10000E+01 volume  0.33108E-03 ppm1      8.262 ppm2      4.569 CV     1
  ASSI {  365}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 20   and name HE22))
       5.200     3.400     0.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.19476E-03 ppm1      8.266 ppm2      6.633 CV     1
  ASSI {  368}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       2.700     0.900     1.400 peak   368 spectrum    1 weight  0.10000E+01 volume  0.13911E-02 ppm1      8.265 ppm2      8.046 CV     1
  ASSI {  370}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       4.700     2.900     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.18780E-03 ppm1      8.261 ppm2      8.584 CV     1
  ASSI {  371}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
       5.400     3.600     0.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.74562E-04 ppm1      8.266 ppm2      9.089 CV     1
  ASSI { 2097}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
       2.100     0.300     0.900 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.20032E-02 ppm1      4.024 ppm2      3.188 CV     1
  ASSI { 2099}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 20   and name HG2 ))
       2.900     1.100     1.700 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.93342E-02 ppm1      4.010 ppm2      2.324 CV     1
  ASSI { 2100}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HB2 ))
       2.100     0.300     0.900 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.14189E-01 ppm1      4.024 ppm2      2.041 CV     1
  ASSI { 2101}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HG2 ))
       2.200     0.400     1.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.50636E-02 ppm1      4.017 ppm2      1.503 CV     1
  ASSI { 2109}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       3.700     1.900     2.300 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.13215E-02 ppm1      4.022 ppm2      7.446 CV     1
  ASSI { 2111}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 20   and name HE22))
       2.000     0.200     0.800 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.68862E-03 ppm1      4.024 ppm2      6.654 CV     1
  ASSI { 2115}
    (( segid "    " and resid 28   and name HB1 ))
    (( segid "    " and resid 20   and name HE21))
       3.600     1.800     2.400 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.22535E-02 ppm1      1.956 ppm2      7.955 CV     1
  ASSI { 2116}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 25   and name HA  ))
       2.200     0.400     0.900 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.50775E-02 ppm1      1.785 ppm2      4.060 CV     1
  ASSI { 2119}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 20   and name HE22))
       4.300     2.500     1.700 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.11352E-02 ppm1      1.767 ppm2      6.606 CV     1
  ASSI { 2120}
    (( segid "    " and resid 78   and name HG1 ))
    (( segid "    " and resid 78   and name HA  ))
       2.900     1.100     1.600 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      1.488 ppm2      4.437 CV     1
  ASSI { 2127}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 32   and name HD21))
       3.300     1.500     2.700 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.22118E-02 ppm1      1.483 ppm2      7.738 CV     1
  ASSI { 2129}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 20   and name HE22))
       2.400     0.600     1.200 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.54531E-03 ppm1      1.479 ppm2      6.650 CV     1
  ASSI {  372}
    (( segid "    " and resid 29   and name HN  ))
    (  segid "    " and resid 30   and name HD1%)
       4.200     2.400     1.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      8.053 ppm2      0.862 CV     1
  ASSI {  379}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 27   and name HA1 ))
       3.200     1.400     2.100 peak   379 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      8.049 ppm2      4.578 CV     1
  ASSI {  384}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       4.400     2.600     1.600 peak   384 spectrum    1 weight  0.10000E+01 volume  0.22814E-03 ppm1      8.046 ppm2      7.444 CV     1
  ASSI {  385}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 32   and name HD21))
       6.000     4.200     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.11073E-03 ppm1      8.048 ppm2      7.731 CV     1
  ASSI {  387}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
       2.800     1.000     1.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      8.049 ppm2      8.548 CV     1
  ASSI {  388}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 26   and name HN  ))
       6.000     4.200     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.95012E-05 ppm1      8.045 ppm2      9.101 CV     1
  ASSI { 2130}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HB1 ))
       2.400     0.600     1.100 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.12492E-01 ppm1      4.229 ppm2      3.082 CV     1
  ASSI { 2131}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 33   and name HG1 ))
       2.800     1.000     3.200 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.11087E-01 ppm1      4.229 ppm2      2.546 CV     1
  ASSI { 2136}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.100     0.300     0.900 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.73169E-02 ppm1      4.240 ppm2      8.053 CV     1
  ASSI { 2139}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.900     1.100     3.100 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.59262E-02 ppm1      4.242 ppm2      8.390 CV     1
  ASSI { 2140}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 32   and name HD21))
       3.000     1.200     1.800 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.37003E-02 ppm1      4.235 ppm2      7.722 CV     1
  ASSI { 2142}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 29   and name HD1 ))
       3.000     1.200     1.700 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.66219E-03 ppm1      2.007 ppm2      2.870 CV     1
  ASSI { 2143}
    (( segid "    " and resid 29   and name HB1 ))
    (  segid "    " and resid 26   and name HD1%)
       2.500     0.700     1.300 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.31300E-02 ppm1      1.986 ppm2      0.955 CV     1
  ASSI { 2144}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 30   and name HN  ))
       2.300     0.500     1.100 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.17667E-02 ppm1      1.989 ppm2      8.529 CV     1
  ASSI { 2145}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 29   and name HN  ))
       2.600     0.800     1.400 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.19058E-02 ppm1      1.989 ppm2      8.062 CV     1
  ASSI { 2146}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 29   and name HE  ))
       4.100     2.300     1.900 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.83465E-03 ppm1      1.987 ppm2      7.132 CV     1
  ASSI { 2149}
    (( segid "    " and resid 29   and name HD1 ))
    (( segid "    " and resid 29   and name HA  ))
       4.000     2.200     2.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.13911E-02 ppm1      2.870 ppm2      4.238 CV     1
  ASSI { 2152}
    (( segid "    " and resid 29   and name HD1 ))
    (( segid "    " and resid 29   and name HG1 ))
       4.700     2.900     1.300 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.15580E-03 ppm1      2.864 ppm2      1.794 CV     1
  ASSI { 2155}
    (( segid "    " and resid 29   and name HD1 ))
    (( segid "    " and resid 29   and name HE  ))
       3.100     1.300     1.900 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.59817E-03 ppm1      2.868 ppm2      7.118 CV     1
  ASSI { 2160}
    (( segid "    " and resid 29   and name HD2 ))
    (( segid "    " and resid 29   and name HG1 ))
       3.800     2.000     2.200 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.14607E-03 ppm1      2.221 ppm2      1.810 CV     1
  ASSI { 2163}
    (( segid "    " and resid 29   and name HD2 ))
    (( segid "    " and resid 29   and name HE  ))
       3.600     1.800     2.400 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.31717E-03 ppm1      2.223 ppm2      7.143 CV     1
  ASSI { 2166}
    (( segid "    " and resid 43   and name HB1 ))
    (( segid "    " and resid 43   and name HN  ))
       3.100     1.300     1.900 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.86527E-03 ppm1      1.816 ppm2      8.430 CV     1
  ASSI { 2168}
    (( segid "    " and resid 29   and name HG2 ))
    (( segid "    " and resid 29   and name HD2 ))
       2.900     1.100     1.600 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.28379E-02 ppm1      1.492 ppm2      2.221 CV     1
  ASSI { 2170}
    (( segid "    " and resid 29   and name HG2 ))
    (  segid "    " and resid 30   and name HD1%)
       2.900     1.100     3.100 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.82492E-02 ppm1      1.495 ppm2      0.869 CV     1
  ASSI { 2171}
    (( segid "    " and resid 29   and name HG2 ))
    (( segid "    " and resid 29   and name HA  ))
       2.600     0.800     1.400 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.37281E-02 ppm1      1.502 ppm2      4.238 CV     1
  ASSI {  389}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 30   and name HD1%)
       3.500     1.700     2.500 peak   389 spectrum    1 weight  0.10000E+01 volume  0.30743E-02 ppm1      8.533 ppm2      0.872 CV     1
  ASSI {  392}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HA  ))
       2.800     1.000     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.87778E-03 ppm1      8.529 ppm2      3.815 CV     1
  ASSI {  393}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HA  ))
       3.400     1.600     2.300 peak   393 spectrum    1 weight  0.10000E+01 volume  0.58702E-03 ppm1      8.531 ppm2      4.231 CV     1
  ASSI { 2179}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 34   and name HG12))
       2.900     1.100     1.700 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.35195E-02 ppm1      3.783 ppm2      1.133 CV     1
  ASSI { 2180}
    (( segid "    " and resid 30   and name HA  ))
    (  segid "    " and resid 30   and name HG2%)
       2.400     0.600     1.200 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.19893E-02 ppm1      3.784 ppm2      0.722 CV     1
  ASSI { 2189}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 30   and name HA  ))
       3.700     1.900     2.300 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.15163E-02 ppm1      0.874 ppm2      3.795 CV     1
  ASSI { 2202}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 39   and name HZ2 ))
       4.100     2.300     1.900 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.72756E-03 ppm1      0.884 ppm2      7.779 CV     1
  ASSI { 2203}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 27   and name HN  ))
       1.800     0.000     4.200 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      0.874 ppm2      7.434 CV     1
  ASSI { 2206}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.200     0.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.98487E-04 ppm1      0.726 ppm2      5.504 CV     1
  ASSI { 2213}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 34   and name HB  ))
       3.200     1.400     2.100 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.10210E-02 ppm1      0.725 ppm2      2.784 CV     1
  ASSI { 2216}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 30   and name HB  ))
       2.400     0.600     1.200 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.23788E-02 ppm1      0.724 ppm2      2.036 CV     1
  ASSI { 2217}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 34   and name HG12))
       2.200     0.400     0.900 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.59121E-02 ppm1      0.724 ppm2      1.169 CV     1
  ASSI { 2219}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 74   and name HB1 ))
       2.300     0.500     1.100 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      0.725 ppm2      0.504 CV     1
  ASSI { 2221}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 30   and name HN  ))
       4.300     2.500     1.700 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.73169E-03 ppm1      0.725 ppm2      8.548 CV     1
  ASSI { 2223}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 31   and name HN  ))
       4.200     2.400     1.800 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.39646E-03 ppm1      0.724 ppm2      8.114 CV     1
  ASSI { 2226}
    (  segid "    " and resid 30   and name HG2%)
    (  segid "    " and resid 31   and name HD% )
       4.200     2.400     1.800 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.65245E-03 ppm1      0.723 ppm2      6.866 CV     1
  ASSI {  405}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 30   and name HA  ))
       3.800     2.000     2.200 peak   405 spectrum    1 weight  0.10000E+01 volume  0.20866E-03 ppm1      8.120 ppm2      3.811 CV     1
  ASSI {  407}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 32   and name HA  ))
       6.000     4.200     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10517E-03 ppm1      8.115 ppm2      4.610 CV     1
  ASSI {  409}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
       3.700     1.900     2.300 peak   409 spectrum    1 weight  0.10000E+01 volume  0.57315E-03 ppm1      8.117 ppm2      6.867 CV     1
  ASSI { 2228}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 30   and name HA  ))
       3.700     1.900     2.300 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.85276E-03 ppm1      4.129 ppm2      3.799 CV     1
  ASSI { 2232}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 30   and name HG2%)
       2.700     0.900     1.400 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.56619E-02 ppm1      4.142 ppm2      0.753 CV     1
  ASSI { 2233}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       2.100     0.300     0.900 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.10280E-01 ppm1      4.155 ppm2      8.129 CV     1
  ASSI { 2234}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
       2.900     1.100     1.700 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      4.142 ppm2      6.861 CV     1
  ASSI { 2237}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.900     1.100     1.700 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.23092E-02 ppm1      4.148 ppm2      8.666 CV     1
  ASSI {  416}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 33   and name HG1 ))
       4.800     3.000     1.200 peak   416 spectrum    1 weight  0.10000E+01 volume  0.57870E-03 ppm1      8.690 ppm2      2.558 CV     1
  ASSI {  424}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 20   and name HE22))
       4.100     2.300     1.900 peak   424 spectrum    1 weight  0.10000E+01 volume  0.53418E-03 ppm1      8.691 ppm2      6.643 CV     1
  ASSI {  426}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HD21))
       3.600     1.800     2.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.20588E-03 ppm1      8.691 ppm2      7.722 CV     1
  ASSI {  427}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       3.400     1.600     2.300 peak   427 spectrum    1 weight  0.10000E+01 volume  0.42985E-03 ppm1      8.691 ppm2      8.109 CV     1
  ASSI { 2239}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HB2 ))
       2.800     1.000     1.500 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.23370E-02 ppm1      4.624 ppm2      3.223 CV     1
  ASSI { 2240}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HG1 ))
       3.700     1.900     2.300 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.26292E-02 ppm1      4.611 ppm2      2.556 CV     1
  ASSI { 2241}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 5    and name HG2%)
       2.800     1.000     1.500 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.28100E-02 ppm1      4.626 ppm2      0.812 CV     1
  ASSI { 2244}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HD22))
       4.800     3.000     1.200 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.84993E-03 ppm1      4.623 ppm2      7.016 CV     1
  ASSI { 2246}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.700     0.900     1.500 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.23510E-02 ppm1      4.623 ppm2      8.699 CV     1
  ASSI {  431}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 34   and name HG12))
       3.500     1.700     2.400 peak   431 spectrum    1 weight  0.10000E+01 volume  0.11101E-02 ppm1      8.389 ppm2      1.173 CV     1
  ASSI {  434}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 33   and name HG1 ))
       3.100     1.300     2.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      8.388 ppm2      2.557 CV     1
  ASSI {  435}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 33   and name HB2 ))
       3.700     1.900     2.300 peak   435 spectrum    1 weight  0.10000E+01 volume  0.10572E-02 ppm1      8.388 ppm2      2.851 CV     1
  ASSI {  437}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 30   and name HA  ))
       5.500     3.700     0.500 peak   437 spectrum    1 weight  0.10000E+01 volume  0.12339E-03 ppm1      8.388 ppm2      3.792 CV     1
  ASSI {  439}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HA  ))
       3.700     1.900     2.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.38255E-03 ppm1      8.388 ppm2      4.627 CV     1
  ASSI {  441}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.200     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.20727E-05 ppm1      8.395 ppm2      5.498 CV     1
  ASSI {  442}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HD22))
       4.200     2.400     1.800 peak   442 spectrum    1 weight  0.10000E+01 volume  0.47576E-03 ppm1      8.388 ppm2      7.079 CV     1
  ASSI {  443}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HD21))
       4.500     2.700     1.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.40063E-03 ppm1      8.388 ppm2      7.725 CV     1
  ASSI {  444}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       4.700     2.900     1.300 peak   444 spectrum    1 weight  0.10000E+01 volume  0.10878E-03 ppm1      8.394 ppm2      8.086 CV     1
  ASSI {  446}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.300     1.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.57870E-03 ppm1      8.388 ppm2      8.694 CV     1
  ASSI {  447}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
       6.000     4.200     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.42567E-05 ppm1      8.386 ppm2      9.835 CV     1
  ASSI { 2248}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HB2 ))
       3.400     1.600     2.300 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.42707E-03 ppm1      4.907 ppm2      2.846 CV     1
  ASSI { 2249}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HG1 ))
       3.600     1.800     2.400 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.11616E-02 ppm1      4.907 ppm2      2.556 CV     1
  ASSI { 2257}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       5.100     3.300     0.900 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.11198E-03 ppm1      4.915 ppm2      9.851 CV     1
  ASSI { 2258}
    (( segid "    " and resid 33   and name HB1 ))
    (( segid "    " and resid 33   and name HA  ))
       3.400     1.600     2.400 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.50497E-03 ppm1      2.384 ppm2      4.926 CV     1
  ASSI { 2260}
    (( segid "    " and resid 33   and name HB1 ))
    (( segid "    " and resid 8    and name HG1 ))
       4.800     3.000     1.200 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.66219E-03 ppm1      2.386 ppm2      1.590 CV     1
  ASSI { 2269}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 29   and name HE  ))
       3.300     1.500     2.200 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      2.832 ppm2      7.129 CV     1
  ASSI {  449}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 34   and name HG12))
       2.900     1.100     1.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.13605E-02 ppm1      8.339 ppm2      1.188 CV     1
  ASSI {  458}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
       6.000     4.200     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.23092E-04 ppm1      8.344 ppm2      9.862 CV     1
  ASSI {  459}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       6.000     4.200     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.29631E-04 ppm1      8.339 ppm2     10.927 CV     1
  ASSI { 2275}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 7    and name HB1 ))
       4.300     2.500     1.700 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.56619E-03 ppm1      5.489 ppm2      3.178 CV     1
  ASSI { 2277}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HB  ))
       2.900     1.100     1.700 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.79571E-03 ppm1      5.488 ppm2      2.791 CV     1
  ASSI { 2279}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HG11))
       3.600     1.800     2.400 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.75813E-03 ppm1      5.484 ppm2      1.820 CV     1
  ASSI { 2281}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 34   and name HG2%)
       2.800     1.000     1.500 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      5.488 ppm2      1.250 CV     1
  ASSI { 2283}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       2.400     0.600     1.200 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.85412E-03 ppm1      5.488 ppm2     10.938 CV     1
  ASSI { 2286}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       5.200     3.400     0.800 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.12840E-03 ppm1      5.487 ppm2      9.846 CV     1
  ASSI { 2287}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       5.400     3.600     0.600 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.18362E-03 ppm1      5.479 ppm2      9.245 CV     1
  ASSI { 2290}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 30   and name HA  ))
       4.200     2.400     1.800 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.70390E-03 ppm1      2.783 ppm2      3.780 CV     1
  ASSI { 2291}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 34   and name HG11))
       2.700     0.900     1.400 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.87778E-03 ppm1      2.783 ppm2      1.854 CV     1
  ASSI { 2293}
    (( segid "    " and resid 34   and name HB  ))
    (  segid "    " and resid 34   and name HG2%)
       2.500     0.700     1.200 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.20449E-02 ppm1      2.780 ppm2      1.224 CV     1
  ASSI { 2298}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HA  ))
       2.600     0.800     1.300 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.80545E-03 ppm1      0.680 ppm2      5.490 CV     1
  ASSI { 2299}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 75   and name HA  ))
       4.200     2.400     1.800 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.22535E-03 ppm1      0.680 ppm2      4.969 CV     1
  ASSI { 2303}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 30   and name HA  ))
       5.400     3.600     0.600 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.29074E-03 ppm1      0.679 ppm2      3.790 CV     1
  ASSI { 2310}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HG11))
       2.600     0.800     1.400 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.89171E-03 ppm1      0.679 ppm2      1.841 CV     1
  ASSI { 2312}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 34   and name HG2%)
       2.400     0.600     1.100 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.24205E-02 ppm1      0.679 ppm2      1.250 CV     1
  ASSI { 2314}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 35   and name HN  ))
       4.600     2.800     1.400 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.35612E-03 ppm1      0.680 ppm2     10.945 CV     1
  ASSI { 2315}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 10   and name HN  ))
       2.600     0.800     3.400 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.12909E-03 ppm1      0.679 ppm2     10.332 CV     1
  ASSI { 2316}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 8    and name HN  ))
       4.300     2.500     1.700 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.24483E-03 ppm1      0.678 ppm2      9.837 CV     1
  ASSI { 2317}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 9    and name HN  ))
       4.000     2.200     2.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.33804E-03 ppm1      0.679 ppm2      9.243 CV     1
  ASSI { 2319}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 75   and name HN  ))
       4.900     3.100     1.100 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.15302E-03 ppm1      0.673 ppm2      8.073 CV     1
  ASSI { 2321}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 9    and name HD% )
       3.700     1.900     2.300 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.10586E-02 ppm1      0.679 ppm2      7.086 CV     1
  ASSI { 2322}
    (( segid "    " and resid 34   and name HG11))
    (( segid "    " and resid 30   and name HA  ))
       4.700     2.900     1.300 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.39924E-03 ppm1      1.838 ppm2      3.793 CV     1
  ASSI { 2324}
    (( segid "    " and resid 34   and name HG12))
    (( segid "    " and resid 34   and name HB  ))
       2.800     1.000     1.600 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.68024E-03 ppm1      1.152 ppm2      2.794 CV     1
  ASSI { 2330}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 37   and name HA  ))
       4.400     2.600     1.600 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.76509E-03 ppm1      1.255 ppm2      4.490 CV     1
  ASSI { 2332}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 30   and name HA  ))
       5.400     3.600     0.600 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.43263E-03 ppm1      1.256 ppm2      3.797 CV     1
  ASSI { 2333}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 39   and name HB1 ))
       4.400     2.600     1.600 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.74562E-03 ppm1      1.255 ppm2      3.436 CV     1
  ASSI { 2344}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 10   and name HN  ))
       2.500     0.700     3.500 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.16972E-03 ppm1      1.255 ppm2     10.315 CV     1
  ASSI { 2346}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 8    and name HN  ))
       6.000     4.200     0.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.15441E-03 ppm1      1.257 ppm2      9.855 CV     1
  ASSI { 2347}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 9    and name HN  ))
       5.600     3.800     0.400 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      1.254 ppm2      9.226 CV     1
  ASSI { 2352}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 39   and name HE3 ))
       2.500     0.700     1.200 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.12854E-02 ppm1      1.255 ppm2      7.368 CV     1
  ASSI { 2353}
    (  segid "    " and resid 34   and name HG2%)
    (  segid "    " and resid 9    and name HD% )
       4.400     2.600     1.600 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.75258E-03 ppm1      1.255 ppm2      7.070 CV     1
  ASSI {  462}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 34   and name HG2%)
       2.900     1.100     1.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.11518E-02 ppm1     10.927 ppm2      1.236 CV     1
  ASSI {  467}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 7    and name HB1 ))
       4.600     2.800     1.400 peak   467 spectrum    1 weight  0.10000E+01 volume  0.23649E-03 ppm1     10.928 ppm2      3.127 CV     1
  ASSI {  475}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 15   and name HN  ))
       5.900     4.100     0.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.12478E-03 ppm1     10.927 ppm2      8.565 CV     1
  ASSI {  476}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       6.000     4.200     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.50636E-04 ppm1     10.929 ppm2      9.150 CV     1
  ASSI {  478}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       4.100     2.300     1.900 peak   478 spectrum    1 weight  0.10000E+01 volume  0.83188E-05 ppm1     10.936 ppm2     10.299 CV     1
  ASSI { 2356}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.800     2.000     2.200 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.18362E-03 ppm1      4.683 ppm2     10.943 CV     1
  ASSI { 2365}
    (( segid "    " and resid 35   and name HB1 ))
    (  segid "    " and resid 34   and name HG2%)
       4.800     3.000     1.200 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      4.056 ppm2      1.266 CV     1
  ASSI { 2368}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 35   and name HN  ))
       3.300     1.500     2.200 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.21423E-03 ppm1      4.056 ppm2     10.942 CV     1
  ASSI { 2369}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 37   and name HN  ))
       5.300     3.500     0.700 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.15302E-03 ppm1      4.063 ppm2      9.139 CV     1
  ASSI { 2370}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 36   and name HN  ))
       4.500     2.700     1.500 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.36447E-03 ppm1      4.059 ppm2      8.642 CV     1
  ASSI { 2380}
    (( segid "    " and resid 35   and name HB2 ))
    (  segid "    " and resid 10   and name HD1%)
       3.900     2.100     2.100 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.46324E-03 ppm1      4.622 ppm2      1.036 CV     1
  ASSI { 2381}
    (( segid "    " and resid 35   and name HB2 ))
    (  segid "    " and resid 34   and name HG2%)
       5.400     3.600     0.600 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.12701E-03 ppm1      4.625 ppm2      1.263 CV     1
  ASSI { 2383}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 10   and name HG  ))
       5.500     3.700     0.500 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.10280E-03 ppm1      4.624 ppm2      1.774 CV     1
  ASSI { 2384}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 15   and name HB1 ))
       5.200     3.400     0.800 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.21840E-03 ppm1      4.624 ppm2      2.067 CV     1
  ASSI { 2385}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       4.700     2.900     1.300 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.18362E-03 ppm1      4.615 ppm2     10.942 CV     1
  ASSI { 2386}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
       3.600     1.800     2.400 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.19893E-03 ppm1      4.624 ppm2      9.164 CV     1
  ASSI { 2387}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       2.900     1.100     1.700 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.40203E-03 ppm1      4.627 ppm2      8.631 CV     1
  ASSI {  481}
    (( segid "    " and resid 36   and name HN  ))
    (  segid "    " and resid 10   and name HD1%)
       4.400     2.600     1.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.74839E-03 ppm1      8.623 ppm2      1.027 CV     1
  ASSI {  485}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 36   and name HE2 ))
       4.500     2.700     1.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.11324E-02 ppm1      8.631 ppm2      3.114 CV     1
  ASSI {  492}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 17   and name HE21))
       4.800     3.000     1.200 peak   492 spectrum    1 weight  0.10000E+01 volume  0.18224E-03 ppm1      8.629 ppm2      7.301 CV     1
  ASSI {  496}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 17   and name HN  ))
       5.700     3.900     0.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.70945E-04 ppm1      8.630 ppm2      9.948 CV     1
  ASSI {  497}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       6.000     4.200     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.49662E-04 ppm1      8.628 ppm2     10.917 CV     1
  ASSI { 2392}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 39   and name HB1 ))
       2.700     0.900     1.500 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      4.085 ppm2      3.434 CV     1
  ASSI { 2394}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 17   and name HG1 ))
       2.600     0.800     3.400 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.48271E-02 ppm1      4.084 ppm2      2.247 CV     1
  ASSI { 2395}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HB1 ))
       1.800     0.000     4.200 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.75954E-02 ppm1      4.092 ppm2      2.009 CV     1
  ASSI { 2399}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       4.900     3.100     1.100 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.36447E-03 ppm1      4.085 ppm2      9.992 CV     1
  ASSI { 2400}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.900     1.100     1.700 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.10043E-02 ppm1      4.081 ppm2      9.111 CV     1
  ASSI { 2402}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       2.400     0.600     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.21562E-02 ppm1      4.096 ppm2      8.662 CV     1
  ASSI { 2404}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 17   and name HE21))
       2.400     0.600     1.100 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.54670E-03 ppm1      4.088 ppm2      7.325 CV     1
  ASSI { 2406}
    (( segid "    " and resid 36   and name HB1 ))
    (( segid "    " and resid 36   and name HE2 ))
       2.600     0.800     1.400 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.53835E-03 ppm1      1.999 ppm2      3.143 CV     1
  ASSI { 2407}
    (( segid "    " and resid 36   and name HB1 ))
    (( segid "    " and resid 36   and name HD2 ))
       2.600     0.800     1.300 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.10517E-01 ppm1      2.005 ppm2      1.484 CV     1
  ASSI { 2408}
    (( segid "    " and resid 36   and name HB1 ))
    (  segid "    " and resid 40   and name HB% )
       2.300     0.500     3.700 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.63292E-02 ppm1      2.001 ppm2      1.674 CV     1
  ASSI { 2409}
    (( segid "    " and resid 36   and name HB1 ))
    (( segid "    " and resid 37   and name HN  ))
       3.400     1.600     2.300 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.10447E-02 ppm1      2.002 ppm2      9.132 CV     1
  ASSI { 2410}
    (( segid "    " and resid 36   and name HB1 ))
    (( segid "    " and resid 36   and name HN  ))
       3.300     1.500     2.100 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.18362E-02 ppm1      2.002 ppm2      8.646 CV     1
  ASSI { 2412}
    (( segid "    " and resid 36   and name HD2 ))
    (( segid "    " and resid 36   and name HE1 ))
       2.400     0.600     1.100 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      1.487 ppm2      3.375 CV     1
  ASSI { 2413}
    (( segid "    " and resid 36   and name HD2 ))
    (( segid "    " and resid 36   and name HN  ))
       4.300     2.500     1.700 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.10502E-02 ppm1      1.487 ppm2      8.633 CV     1
  ASSI { 2418}
    (( segid "    " and resid 36   and name HE1 ))
    (( segid "    " and resid 15   and name HG1 ))
       2.300     0.500     3.700 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.24344E-03 ppm1      3.378 ppm2      2.572 CV     1
  ASSI { 2420}
    (( segid "    " and resid 36   and name HE1 ))
    (( segid "    " and resid 36   and name HD1 ))
       3.200     1.400     2.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      3.377 ppm2      1.442 CV     1
  ASSI { 2421}
    (( segid "    " and resid 36   and name HE1 ))
    (( segid "    " and resid 18   and name HN  ))
       4.200     2.400     1.800 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.16554E-03 ppm1      3.377 ppm2      9.008 CV     1
  ASSI { 2431}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 78   and name HB1 ))
       5.400     3.600     0.600 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.29631E-03 ppm1      0.868 ppm2      1.783 CV     1
  ASSI { 2437}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 18   and name HN  ))
       4.800     3.000     1.200 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.31856E-03 ppm1      0.858 ppm2      9.034 CV     1
  ASSI {  499}
    (( segid "    " and resid 37   and name HN  ))
    (  segid "    " and resid 10   and name HD1%)
       4.400     2.600     1.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.32552E-03 ppm1      9.130 ppm2      1.010 CV     1
  ASSI {  500}
    (( segid "    " and resid 37   and name HN  ))
    (  segid "    " and resid 38   and name HB% )
       4.200     2.400     1.800 peak   500 spectrum    1 weight  0.10000E+01 volume  0.91254E-03 ppm1      9.129 ppm2      1.537 CV     1
  ASSI {  502}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 37   and name HB1 ))
       4.100     2.300     1.900 peak   502 spectrum    1 weight  0.10000E+01 volume  0.10308E-02 ppm1      9.129 ppm2      2.798 CV     1
  ASSI {  504}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 39   and name HB1 ))
       4.800     3.000     1.200 peak   504 spectrum    1 weight  0.10000E+01 volume  0.15580E-03 ppm1      9.128 ppm2      3.405 CV     1
  ASSI {  510}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       6.000     4.200     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.24205E-04 ppm1      9.128 ppm2      7.834 CV     1
  OR {  510}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 41   and name HE22))
  ASSI {  512}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
       3.500     1.700     2.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.24622E-03 ppm1      9.129 ppm2      8.624 CV     1
  ASSI { 2440}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HB1 ))
       2.600     0.800     1.400 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      4.510 ppm2      2.801 CV     1
  ASSI { 2442}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 40   and name HB% )
       2.800     1.000     1.600 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.29491E-02 ppm1      4.510 ppm2      1.663 CV     1
  ASSI { 2444}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 10   and name HD1%)
       4.200     2.400     1.800 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.88610E-03 ppm1      4.511 ppm2      1.015 CV     1
  ASSI { 2445}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       3.000     1.200     1.800 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      4.510 ppm2      9.130 CV     1
  ASSI {  516}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 10   and name HD1%)
       3.300     1.500     2.200 peak   516 spectrum    1 weight  0.10000E+01 volume  0.10892E-02 ppm1      8.336 ppm2      1.008 CV     1
  ASSI {  517}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 34   and name HG2%)
       4.600     2.800     1.400 peak   517 spectrum    1 weight  0.10000E+01 volume  0.35056E-03 ppm1      8.333 ppm2      1.225 CV     1
  ASSI {  518}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 38   and name HB% )
       2.800     1.000     1.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      8.336 ppm2      1.535 CV     1
  ASSI {  523}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 39   and name HB1 ))
       4.800     3.000     1.200 peak   523 spectrum    1 weight  0.10000E+01 volume  0.33525E-03 ppm1      8.337 ppm2      3.419 CV     1
  ASSI {  524}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
       3.300     1.500     2.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.42011E-03 ppm1      8.337 ppm2      3.840 CV     1
  ASSI {  526}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 37   and name HA  ))
       3.300     1.500     2.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.12409E-02 ppm1      8.335 ppm2      4.520 CV     1
  ASSI {  527}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.200     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.23370E-05 ppm1      8.338 ppm2      5.501 CV     1
  ASSI {  529}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 9    and name HD% )
       4.900     3.100     1.100 peak   529 spectrum    1 weight  0.10000E+01 volume  0.37699E-03 ppm1      8.337 ppm2      7.031 CV     1
  ASSI {  530}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       4.700     2.900     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.29213E-03 ppm1      8.337 ppm2      7.824 CV     1
  OR {  530}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 41   and name HE22))
  ASSI {  532}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       3.100     1.300     1.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.45349E-03 ppm1      8.336 ppm2      8.977 CV     1
  ASSI {  533}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       3.000     1.200     1.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.45489E-03 ppm1      8.336 ppm2      9.094 CV     1
  ASSI {  535}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       6.000     4.200     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.62460E-04 ppm1      8.336 ppm2     10.926 CV     1
  ASSI { 2451}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 41   and name HB1 ))
       3.000     1.200     1.800 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.11921E-02 ppm1      3.839 ppm2      2.458 CV     1
  OR { 2451}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 41   and name HB2 ))
  ASSI { 2452}
    (( segid "    " and resid 38   and name HA  ))
    (  segid "    " and resid 38   and name HB% )
       2.500     0.700     1.200 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.22675E-02 ppm1      3.844 ppm2      1.520 CV     1
  ASSI { 2453}
    (( segid "    " and resid 38   and name HA  ))
    (  segid "    " and resid 34   and name HG2%)
       4.200     2.400     1.800 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.74562E-03 ppm1      3.844 ppm2      1.270 CV     1
  ASSI { 2454}
    (( segid "    " and resid 38   and name HA  ))
    (  segid "    " and resid 10   and name HD1%)
       4.200     2.400     1.800 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.37977E-03 ppm1      3.846 ppm2      0.989 CV     1
  ASSI { 2456}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       4.200     2.400     1.800 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      3.832 ppm2     10.936 CV     1
  ASSI { 2458}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.700     1.900     2.300 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.36169E-03 ppm1      3.837 ppm2      8.957 CV     1
  ASSI { 2461}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 41   and name HE22))
       4.100     2.300     1.900 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.56339E-03 ppm1      3.843 ppm2      7.825 CV     1
  OR { 2461}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI { 2462}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 41   and name HE21))
       2.900     1.100     1.700 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.53001E-03 ppm1      3.843 ppm2      7.237 CV     1
  ASSI { 2464}
    (( segid "    " and resid 38   and name HA  ))
    (  segid "    " and resid 9    and name HD% )
       3.600     1.800     2.400 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.10990E-02 ppm1      3.836 ppm2      7.056 CV     1
  ASSI { 2465}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 34   and name HA  ))
       4.400     2.600     1.600 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.26014E-03 ppm1      1.521 ppm2      5.484 CV     1
  ASSI { 2468}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 35   and name HB1 ))
       3.300     1.500     2.200 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.24483E-02 ppm1      1.520 ppm2      4.041 CV     1
  ASSI { 2470}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 39   and name HB1 ))
       5.300     3.500     0.700 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.43402E-03 ppm1      1.520 ppm2      3.414 CV     1
  ASSI { 2474}
    (  segid "    " and resid 38   and name HB% )
    (  segid "    " and resid 10   and name HD1%)
       3.500     1.700     2.400 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.82073E-03 ppm1      1.524 ppm2      1.002 CV     1
  ASSI { 2476}
    (  segid "    " and resid 38   and name HB% )
    (  segid "    " and resid 34   and name HG2%)
       2.900     1.100     1.700 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.70945E-03 ppm1      1.529 ppm2      1.270 CV     1
  ASSI { 2477}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 35   and name HN  ))
       3.400     1.600     2.300 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.65658E-03 ppm1      1.528 ppm2     10.930 CV     1
  ASSI { 2478}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 10   and name HN  ))
       2.100     0.300     3.900 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.43680E-03 ppm1      1.528 ppm2     10.340 CV     1
  ASSI { 2479}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 8    and name HN  ))
       2.200     0.400     3.800 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.32552E-03 ppm1      1.517 ppm2      9.834 CV     1
  ASSI { 2480}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 9    and name HN  ))
       4.300     2.500     1.700 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.49523E-03 ppm1      1.528 ppm2      9.232 CV     1
  ASSI { 2484}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 41   and name HE22))
       5.100     3.300     0.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.22397E-03 ppm1      1.515 ppm2      7.831 CV     1
  OR { 2484}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 41   and name HN  ))
  ASSI { 2485}
    (  segid "    " and resid 38   and name HB% )
    (  segid "    " and resid 9    and name HD% )
       3.000     1.200     1.700 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      1.522 ppm2      7.045 CV     1
  ASSI {  537}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 34   and name HG2%)
       3.400     1.600     2.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.58985E-03 ppm1      8.946 ppm2      1.254 CV     1
  ASSI {  539}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 38   and name HB% )
       3.100     1.300     1.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.12673E-02 ppm1      8.946 ppm2      1.547 CV     1
  ASSI {  541}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 41   and name HB1 ))
       3.300     1.500     2.100 peak   541 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      8.944 ppm2      2.471 CV     1
  ASSI {  544}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HB1 ))
       3.000     1.200     1.800 peak   544 spectrum    1 weight  0.10000E+01 volume  0.98487E-03 ppm1      8.946 ppm2      3.429 CV     1
  ASSI {  549}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.200     0.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.56479E-05 ppm1      8.952 ppm2      5.470 CV     1
  ASSI {  552}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       3.600     1.800     2.400 peak   552 spectrum    1 weight  0.10000E+01 volume  0.69694E-03 ppm1      8.951 ppm2      7.797 CV     1
  OR {  552}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 41   and name HE22))
  ASSI {  556}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       6.000     4.200     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.30883E-04 ppm1      8.952 ppm2     10.925 CV     1
  ASSI { 1168}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 74   and name HD1%)
       3.800     2.000     2.200 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.90563E-03 ppm1     10.176 ppm2      0.835 CV     1
  ASSI { 1173}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 37   and name HA  ))
       5.100     3.300     0.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.98770E-04 ppm1     10.179 ppm2      4.519 CV     1
  ASSI { 1176}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HD1 ))
       3.800     2.000     2.200 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.21701E-02 ppm1     10.177 ppm2      7.258 CV     1
  ASSI { 2492}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 54   and name HN  ))
       3.800     2.000     2.200 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.49523E-03 ppm1      4.083 ppm2      7.534 CV     1
  ASSI { 2498}
    (( segid "    " and resid 39   and name HB1 ))
    (  segid "    " and resid 30   and name HG2%)
       5.900     4.100     0.100 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.39924E-03 ppm1      3.437 ppm2      0.747 CV     1
  ASSI {  557}
    (( segid "    " and resid 40   and name HN  ))
    (  segid "    " and resid 40   and name HB% )
       2.700     0.900     1.500 peak   557 spectrum    1 weight  0.10000E+01 volume  0.24344E-02 ppm1      8.338 ppm2      1.662 CV     1
  ASSI {  561}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 39   and name HB1 ))
       2.600     0.800     1.400 peak   561 spectrum    1 weight  0.10000E+01 volume  0.11685E-02 ppm1      8.319 ppm2      3.407 CV     1
  ASSI {  562}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       2.900     1.100     1.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.11477E-02 ppm1      8.339 ppm2      7.819 CV     1
  ASSI {  564}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       3.800     2.000     2.200 peak   564 spectrum    1 weight  0.10000E+01 volume  0.26152E-03 ppm1      8.338 ppm2      8.956 CV     1
  ASSI {  566}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 39   and name HE1 ))
       6.000     4.200     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.47993E-04 ppm1      8.337 ppm2     10.199 CV     1
  ASSI { 2503}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 37   and name HA  ))
       4.900     3.100     1.100 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.42846E-03 ppm1      4.152 ppm2      4.494 CV     1
  ASSI { 2507}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HB1 ))
       6.000     4.200     0.000 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.55922E-04 ppm1      4.144 ppm2      2.510 CV     1
  OR { 2507}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HG1 ))
  ASSI { 2508}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 43   and name HG1 ))
       4.100     2.300     1.900 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.15163E-02 ppm1      4.145 ppm2      2.062 CV     1
  ASSI { 2510}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 43   and name HB2 ))
       2.700     0.900     1.400 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.28656E-02 ppm1      4.144 ppm2      1.886 CV     1
  ASSI { 2513}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       3.100     1.300     1.900 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.11699E-02 ppm1      4.144 ppm2      8.372 CV     1
  ASSI { 2514}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       3.500     1.700     2.500 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.68302E-03 ppm1      4.144 ppm2      7.819 CV     1
  ASSI { 2519}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 39   and name HB1 ))
       5.000     3.200     1.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.25596E-03 ppm1      1.654 ppm2      3.437 CV     1
  ASSI { 2522}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 41   and name HB1 ))
       5.100     3.300     0.900 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.32134E-03 ppm1      1.659 ppm2      2.505 CV     1
  OR { 2522}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 41   and name HG1 ))
  ASSI { 2523}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 43   and name HG1 ))
       3.800     2.000     2.200 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.31578E-02 ppm1      1.668 ppm2      2.076 CV     1
  ASSI { 2525}
    (  segid "    " and resid 40   and name HB% )
    (  segid "    " and resid 34   and name HG2%)
       6.000     4.200     0.000 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.56339E-04 ppm1      1.659 ppm2      1.235 CV     1
  ASSI { 2528}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 37   and name HN  ))
       2.200     0.400     3.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.32830E-03 ppm1      1.658 ppm2      9.151 CV     1
  ASSI { 2529}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 39   and name HN  ))
       5.300     3.500     0.700 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.29352E-03 ppm1      1.656 ppm2      8.963 CV     1
  ASSI {  568}
    (( segid "    " and resid 41   and name HN  ))
    (  segid "    " and resid 40   and name HB% )
       3.500     1.700     2.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.85690E-03 ppm1      7.820 ppm2      1.649 CV     1
  ASSI {  569}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 41   and name HB1 ))
       2.700     0.900     1.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.12951E-02 ppm1      7.820 ppm2      2.489 CV     1
  ASSI {  571}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 39   and name HB1 ))
       5.400     3.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17389E-03 ppm1      7.821 ppm2      3.426 CV     1
  ASSI {  572}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
       4.100     2.300     1.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.34917E-03 ppm1      7.820 ppm2      3.852 CV     1
  ASSI {  574}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 37   and name HA  ))
       4.400     2.600     1.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.20032E-03 ppm1      7.820 ppm2      4.504 CV     1
  ASSI {  578}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       5.900     4.100     0.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.31021E-04 ppm1      7.821 ppm2      8.961 CV     1
  ASSI { 2535}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       2.900     1.100     1.600 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.26709E-02 ppm1      4.168 ppm2      7.812 CV     1
  OR { 2535}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HE22))
  ASSI { 2538}
    (( segid "    " and resid 41   and name HB1 ))
    (( segid "    " and resid 38   and name HA  ))
       3.100     1.300     1.900 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.66632E-03 ppm1      2.481 ppm2      3.854 CV     1
  ASSI { 2540}
    (( segid "    " and resid 41   and name HB1 ))
    (( segid "    " and resid 41   and name HN  ))
       3.300     1.500     2.100 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.95431E-03 ppm1      2.486 ppm2      7.824 CV     1
  OR { 2540}
    (( segid "    " and resid 41   and name HB1 ))
    (( segid "    " and resid 41   and name HE22))
  ASSI { 2542}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 38   and name HA  ))
       4.200     2.400     1.800 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.31856E-03 ppm1      2.428 ppm2      3.852 CV     1
  ASSI { 2544}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       4.000     2.200     2.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.32552E-03 ppm1      2.429 ppm2      7.814 CV     1
  OR { 2544}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HE22))
  ASSI { 2546}
    (( segid "    " and resid 41   and name HG1 ))
    (( segid "    " and resid 38   and name HA  ))
       5.500     3.700     0.500 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.40898E-03 ppm1      2.547 ppm2      3.841 CV     1
  ASSI { 2549}
    (( segid "    " and resid 41   and name HG1 ))
    (( segid "    " and resid 41   and name HE22))
       4.200     2.400     1.800 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      2.544 ppm2      7.822 CV     1
  OR { 2549}
    (( segid "    " and resid 41   and name HG1 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI { 2550}
    (( segid "    " and resid 41   and name HG1 ))
    (( segid "    " and resid 41   and name HE21))
       4.000     2.200     2.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.71641E-03 ppm1      2.546 ppm2      7.213 CV     1
  ASSI { 2551}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HA  ))
       4.100     2.300     1.900 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.46045E-03 ppm1      2.861 ppm2      4.164 CV     1
  ASSI { 2552}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 38   and name HA  ))
       5.300     3.500     0.700 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.38673E-03 ppm1      2.862 ppm2      3.855 CV     1
  ASSI { 2558}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HE22))
       4.300     2.500     1.700 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.70945E-03 ppm1      2.863 ppm2      7.824 CV     1
  OR { 2558}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI { 2559}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HE21))
       3.400     1.600     2.200 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.72479E-03 ppm1      2.862 ppm2      7.228 CV     1
  ASSI {  583}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HB1 ))
       2.600     0.800     1.400 peak   583 spectrum    1 weight  0.10000E+01 volume  0.85276E-03 ppm1      8.182 ppm2      2.488 CV     1
  ASSI {  586}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 42   and name HB2 ))
       2.800     1.000     1.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.13841E-02 ppm1      8.184 ppm2      3.066 CV     1
  ASSI {  593}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       3.300     1.500     2.200 peak   593 spectrum    1 weight  0.10000E+01 volume  0.51749E-03 ppm1      8.182 ppm2      7.823 CV     1
  ASSI {  596}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       6.000     4.200     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.29769E-04 ppm1      8.180 ppm2      8.959 CV     1
  ASSI { 1193}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 42   and name HD1 ))
       4.000     2.200     2.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      9.564 ppm2      7.274 CV     1
  ASSI { 2566}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 45   and name HB2 ))
       2.700     0.900     1.400 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      3.904 ppm2      1.385 CV     1
  OR { 2566}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 45   and name HB1 ))
  ASSI { 2569}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.200     1.400     2.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.79016E-03 ppm1      3.907 ppm2      8.187 CV     1
  ASSI { 2570}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       4.500     2.700     1.500 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.41038E-03 ppm1      3.904 ppm2      7.822 CV     1
  ASSI { 2575}
    (( segid "    " and resid 42   and name HB1 ))
    (( segid "    " and resid 42   and name HA  ))
       4.200     2.400     1.800 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.28656E-03 ppm1      2.891 ppm2      3.902 CV     1
  ASSI { 2580}
    (( segid "    " and resid 42   and name HB1 ))
    (( segid "    " and resid 42   and name HN  ))
       3.500     1.700     2.400 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.37838E-03 ppm1      2.883 ppm2      8.182 CV     1
  ASSI { 2583}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 42   and name HA  ))
       3.100     1.300     1.900 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.68166E-03 ppm1      3.097 ppm2      3.888 CV     1
  ASSI {  602}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 43   and name HG1 ))
       3.200     1.400     2.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.68443E-02 ppm1      8.445 ppm2      2.089 CV     1
  ASSI {  605}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HA  ))
       3.200     1.400     2.100 peak   605 spectrum    1 weight  0.10000E+01 volume  0.94593E-03 ppm1      8.452 ppm2      3.932 CV     1
  ASSI {  609}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       2.400     0.600     1.100 peak   609 spectrum    1 weight  0.10000E+01 volume  0.31995E-02 ppm1      8.447 ppm2      8.184 CV     1
  ASSI { 2592}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 44   and name HB1 ))
       5.500     3.700     0.500 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.11087E-03 ppm1      2.853 ppm2      3.081 CV     1
  ASSI { 2595}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 46   and name HB2 ))
       3.400     1.600     2.400 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.10364E-02 ppm1      2.850 ppm2      1.311 CV     1
  ASSI { 2597}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 46   and name HB1 ))
       3.200     1.400     2.000 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.66077E-03 ppm1      2.851 ppm2      0.463 CV     1
  ASSI { 2601}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 42   and name HE1 ))
       5.400     3.600     0.600 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.75535E-04 ppm1      2.851 ppm2      9.576 CV     1
  ASSI { 2602}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       6.000     4.200     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.57870E-04 ppm1      2.853 ppm2      8.186 CV     1
  ASSI { 2603}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       4.200     2.400     1.800 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.29352E-03 ppm1      2.848 ppm2      7.560 CV     1
  ASSI { 2607}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 43   and name HE22))
       5.500     3.700     0.500 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.11212E-03 ppm1      2.852 ppm2      6.026 CV     1
  ASSI { 2610}
    (( segid "    " and resid 65   and name HG  ))
    (( segid "    " and resid 65   and name HA  ))
       2.000     0.200     0.800 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.66773E-02 ppm1      1.912 ppm2      4.314 CV     1
  ASSI { 2612}
    (( segid "    " and resid 65   and name HG  ))
    (  segid "    " and resid 65   and name HD2%)
       2.200     0.400     1.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.46324E-02 ppm1      1.913 ppm2      1.026 CV     1
  ASSI { 2613}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 44   and name HN  ))
       4.100     2.300     1.900 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.10586E-02 ppm1      1.898 ppm2      7.352 CV     1
  ASSI { 2614}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 43   and name HN  ))
       2.900     1.100     1.700 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.11852E-02 ppm1      1.911 ppm2      8.430 CV     1
  ASSI { 2615}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 43   and name HE21))
       4.700     2.900     1.300 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.32830E-03 ppm1      1.920 ppm2      7.087 CV     1
  ASSI { 2618}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 43   and name HA  ))
       3.400     1.600     2.300 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.10155E-02 ppm1      2.072 ppm2      2.851 CV     1
  ASSI { 2620}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 43   and name HB2 ))
       2.100     0.300     0.900 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.24622E-01 ppm1      2.068 ppm2      1.904 CV     1
  ASSI { 2623}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 39   and name HE1 ))
       5.500     3.700     0.500 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.19893E-03 ppm1      2.071 ppm2     10.191 CV     1
  ASSI { 2625}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 43   and name HE21))
       3.000     1.200     1.800 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.54392E-03 ppm1      2.070 ppm2      7.123 CV     1
  ASSI { 2626}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 44   and name HN  ))
       3.700     1.900     2.300 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.76373E-03 ppm1      2.070 ppm2      7.305 CV     1
  ASSI { 2627}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 43   and name HE22))
       5.100     3.300     0.900 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.27683E-03 ppm1      2.064 ppm2      6.026 CV     1
  ASSI { 2630}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 44   and name HB1 ))
       5.400     3.600     0.600 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.52583E-03 ppm1      1.661 ppm2      3.093 CV     1
  ASSI { 2631}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 43   and name HA  ))
       4.300     2.500     1.700 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.71086E-03 ppm1      1.651 ppm2      2.859 CV     1
  ASSI { 2633}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 43   and name HB1 ))
       2.000     0.200     4.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.10016E-01 ppm1      1.652 ppm2      1.837 CV     1
  ASSI { 2635}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 46   and name HB2 ))
       5.500     3.700     0.500 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.28379E-03 ppm1      1.649 ppm2      1.277 CV     1
  ASSI { 2638}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 39   and name HE1 ))
       4.600     2.800     1.400 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.14189E-03 ppm1      1.649 ppm2     10.183 CV     1
  ASSI { 2641}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 44   and name HN  ))
       4.800     3.000     1.200 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.58566E-03 ppm1      1.651 ppm2      7.319 CV     1
  ASSI { 2643}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 43   and name HE22))
       5.200     3.400     0.800 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.39646E-03 ppm1      1.651 ppm2      6.027 CV     1
  ASSI {  615}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 45   and name HB2 ))
       4.500     2.700     1.500 peak   615 spectrum    1 weight  0.10000E+01 volume  0.58566E-03 ppm1      7.343 ppm2      1.362 CV     1
  OR {  615}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 45   and name HB1 ))
  ASSI {  619}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 45   and name HA  ))
       5.600     3.800     0.400 peak   619 spectrum    1 weight  0.10000E+01 volume  0.14745E-03 ppm1      7.343 ppm2      3.754 CV     1
  ASSI {  620}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 44   and name HA  ))
       3.100     1.300     1.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.11198E-02 ppm1      7.342 ppm2      4.199 CV     1
  ASSI {  625}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       4.500     2.700     1.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.35473E-03 ppm1      7.342 ppm2      8.196 CV     1
  ASSI {  626}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 43   and name HE22))
       6.000     4.200     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.76650E-05 ppm1      7.350 ppm2      5.998 CV     1
  ASSI { 2656}
    (( segid "    " and resid 44   and name HB1 ))
    (( segid "    " and resid 44   and name HN  ))
       2.600     0.800     1.400 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.24483E-02 ppm1      3.075 ppm2      7.350 CV     1
  ASSI {  627}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 46   and name HB1 ))
       5.800     4.000     0.200 peak   627 spectrum    1 weight  0.10000E+01 volume  0.11477E-03 ppm1      7.166 ppm2      0.471 CV     1
  ASSI {  628}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 45   and name HB2 ))
       2.700     0.900     1.400 peak   628 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      7.166 ppm2      1.370 CV     1
  OR {  628}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 45   and name HB1 ))
  ASSI {  633}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 44   and name HA  ))
       4.000     2.200     2.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.35473E-03 ppm1      7.165 ppm2      4.199 CV     1
  ASSI {  638}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       6.000     4.200     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.29074E-04 ppm1      7.166 ppm2      8.187 CV     1
  ASSI { 2661}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 46   and name HA  ))
       3.800     2.000     2.200 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.71364E-03 ppm1      3.739 ppm2      3.036 CV     1
  ASSI { 2662}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 48   and name HB2 ))
       3.400     1.600     2.300 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.64130E-03 ppm1      3.736 ppm2      2.545 CV     1
  OR { 2662}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 48   and name HG1 ))
  ASSI { 2665}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HB2 ))
       2.600     0.800     1.400 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.26570E-02 ppm1      3.736 ppm2      1.376 CV     1
  OR { 2665}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HB1 ))
  ASSI { 2671}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       2.900     1.100     1.700 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      3.739 ppm2      7.171 CV     1
  ASSI { 2673}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 41   and name HA  ))
       4.500     2.700     1.500 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.50497E-03 ppm1      1.393 ppm2      4.191 CV     1
  ASSI { 2675}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 45   and name HA  ))
       2.900     1.100     1.700 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.18224E-02 ppm1      1.400 ppm2      3.751 CV     1
  ASSI { 2679}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 46   and name HB1 ))
       3.800     2.000     2.200 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      1.410 ppm2      0.452 CV     1
  ASSI { 2684}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 45   and name HN  ))
       3.200     1.400     2.000 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      1.402 ppm2      7.181 CV     1
  ASSI { 2687}
    (( segid "    " and resid 45   and name HD1 ))
    (( segid "    " and resid 45   and name HA  ))
       2.800     1.000     1.500 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.90422E-03 ppm1      1.566 ppm2      3.749 CV     1
  ASSI { 2688}
    (( segid "    " and resid 45   and name HD1 ))
    (( segid "    " and resid 45   and name HE2 ))
       2.200     0.400     1.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.43820E-02 ppm1      1.561 ppm2      3.081 CV     1
  ASSI { 2694}
    (( segid "    " and resid 45   and name HD1 ))
    (( segid "    " and resid 45   and name HN  ))
       4.700     2.900     1.300 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.62041E-03 ppm1      1.561 ppm2      7.163 CV     1
  ASSI { 2695}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 45   and name HA  ))
       3.700     1.900     2.300 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.14467E-02 ppm1      1.684 ppm2      3.724 CV     1
  ASSI { 2704}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 45   and name HA  ))
       4.000     2.200     2.000 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.10252E-02 ppm1      1.098 ppm2      3.740 CV     1
  ASSI { 2705}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 45   and name HE2 ))
       2.900     1.100     1.700 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.25596E-02 ppm1      1.101 ppm2      3.076 CV     1
  ASSI { 2708}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 45   and name HN  ))
       4.500     2.700     1.500 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.97101E-03 ppm1      1.103 ppm2      7.196 CV     1
  ASSI { 2711}
    (( segid "    " and resid 45   and name HG2 ))
    (( segid "    " and resid 45   and name HA  ))
       2.900     1.100     1.600 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.92369E-03 ppm1      1.218 ppm2      3.741 CV     1
  ASSI { 2713}
    (( segid "    " and resid 45   and name HG2 ))
    (( segid "    " and resid 45   and name HD2 ))
       2.600     0.800     1.400 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.54114E-02 ppm1      1.227 ppm2      1.683 CV     1
  ASSI { 2716}
    (( segid "    " and resid 45   and name HG2 ))
    (( segid "    " and resid 45   and name HN  ))
       4.100     2.300     1.900 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.95153E-03 ppm1      1.226 ppm2      7.185 CV     1
  ASSI {  643}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HA  ))
       3.000     1.200     1.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.10976E-02 ppm1      8.454 ppm2      2.991 CV     1
  ASSI {  644}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HA  ))
       3.700     1.900     2.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.47993E-03 ppm1      8.454 ppm2      3.735 CV     1
  ASSI {  650}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 47   and name HN  ))
       3.600     1.800     2.400 peak   650 spectrum    1 weight  0.10000E+01 volume  0.31717E-03 ppm1      8.455 ppm2      7.530 CV     1
  ASSI {  652}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 42   and name HE1 ))
       5.500     3.700     0.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.90422E-04 ppm1      8.455 ppm2      9.564 CV     1
  ASSI { 2720}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HB2 ))
       2.900     1.100     1.700 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.88474E-03 ppm1      2.997 ppm2      1.318 CV     1
  ASSI { 2722}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HB1 ))
       3.400     1.600     2.400 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.91950E-03 ppm1      2.997 ppm2      0.462 CV     1
  ASSI { 2724}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       4.400     2.600     1.600 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.18780E-03 ppm1      2.996 ppm2      7.543 CV     1
  ASSI { 2726}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HE22))
       4.200     2.400     1.800 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.36725E-03 ppm1      2.996 ppm2      6.867 CV     1
  ASSI { 2729}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 46   and name HG1 ))
       3.100     1.300     1.900 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.59540E-03 ppm1      0.462 ppm2      1.913 CV     1
  ASSI { 2730}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 46   and name HG2 ))
       3.000     1.200     1.800 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.74981E-03 ppm1      0.473 ppm2      2.044 CV     1
  ASSI { 2735}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 46   and name HN  ))
       3.300     1.500     2.100 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.61487E-03 ppm1      0.474 ppm2      8.473 CV     1
  ASSI { 2736}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 47   and name HN  ))
       3.300     1.500     2.100 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.44097E-03 ppm1      0.468 ppm2      7.557 CV     1
  ASSI { 2737}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 46   and name HE21))
       4.300     2.500     1.700 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.55226E-03 ppm1      0.470 ppm2      7.251 CV     1
  ASSI { 2743}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 46   and name HN  ))
       3.100     1.300     2.000 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.67747E-03 ppm1      1.294 ppm2      8.469 CV     1
  ASSI { 2744}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 47   and name HN  ))
       4.500     2.700     1.500 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.51749E-03 ppm1      1.294 ppm2      7.549 CV     1
  ASSI { 2745}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 46   and name HE21))
       3.900     2.100     2.100 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.75399E-03 ppm1      1.295 ppm2      7.245 CV     1
  ASSI { 2748}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 46   and name HB2 ))
       5.200     3.400     0.800 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.87224E-04 ppm1      1.910 ppm2      1.309 CV     1
  ASSI { 2753}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 47   and name HN  ))
       4.300     2.500     1.700 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.27544E-03 ppm1      1.902 ppm2      7.539 CV     1
  ASSI { 2754}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 46   and name HE21))
       2.900     1.100     1.700 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.41733E-03 ppm1      1.903 ppm2      7.242 CV     1
  ASSI { 2755}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 46   and name HE22))
       5.100     3.300     0.900 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.17667E-03 ppm1      1.902 ppm2      6.876 CV     1
  ASSI { 2756}
    (( segid "    " and resid 46   and name HG2 ))
    (( segid "    " and resid 46   and name HA  ))
       4.500     2.700     1.500 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.36725E-03 ppm1      2.046 ppm2      3.011 CV     1
  ASSI { 2760}
    (( segid "    " and resid 46   and name HG2 ))
    (( segid "    " and resid 46   and name HE21))
       3.600     1.800     2.400 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      2.055 ppm2      7.229 CV     1
  ASSI { 2761}
    (( segid "    " and resid 46   and name HG2 ))
    (( segid "    " and resid 46   and name HE22))
       5.300     3.500     0.700 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.20449E-03 ppm1      2.049 ppm2      6.880 CV     1
  ASSI {  658}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 48   and name HB2 ))
       6.000     4.200     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.69552E-04 ppm1      7.537 ppm2      2.532 CV     1
  OR {  658}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 48   and name HG1 ))
  ASSI { 2768}
    (( segid "    " and resid 47   and name HA  ))
    (  segid "    " and resid 47   and name HG2%)
       2.500     0.700     1.200 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.34638E-02 ppm1      3.690 ppm2      1.163 CV     1
  ASSI { 2769}
    (( segid "    " and resid 47   and name HA  ))
    (  segid "    " and resid 50   and name HD1%)
       2.300     0.500     1.100 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.26570E-02 ppm1      3.689 ppm2      0.913 CV     1
  ASSI { 2770}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 50   and name HA  ))
       5.600     3.800     0.400 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.13327E-03 ppm1      3.686 ppm2      3.368 CV     1
  ASSI { 2772}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       2.700     0.900     1.400 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.15997E-02 ppm1      3.689 ppm2      7.545 CV     1
  ASSI { 2773}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 51   and name HD21))
       5.200     3.400     0.800 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.21701E-03 ppm1      3.688 ppm2      7.765 CV     1
  ASSI { 2774}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       2.800     1.000     1.600 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      3.690 ppm2      7.332 CV     1
  ASSI { 2777}
    (( segid "    " and resid 47   and name HB  ))
    (( segid "    " and resid 47   and name HA  ))
       3.300     1.500     2.200 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.69275E-03 ppm1      4.144 ppm2      3.689 CV     1
  ASSI { 2779}
    (( segid "    " and resid 47   and name HB  ))
    (( segid "    " and resid 48   and name HB2 ))
       4.100     2.300     1.900 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.41733E-03 ppm1      4.144 ppm2      2.573 CV     1
  ASSI { 2781}
    (( segid "    " and resid 47   and name HB  ))
    (  segid "    " and resid 47   and name HG2%)
       2.800     1.000     1.600 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.20171E-02 ppm1      4.144 ppm2      1.174 CV     1
  ASSI { 2784}
    (( segid "    " and resid 47   and name HB  ))
    (( segid "    " and resid 47   and name HN  ))
       3.000     1.200     1.800 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.10225E-02 ppm1      4.144 ppm2      7.547 CV     1
  ASSI { 2785}
    (( segid "    " and resid 47   and name HB  ))
    (( segid "    " and resid 48   and name HN  ))
       3.100     1.300     1.900 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.90144E-03 ppm1      4.144 ppm2      7.341 CV     1
  ASSI { 2793}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 49   and name HN  ))
       4.300     2.500     1.700 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.64685E-03 ppm1      1.182 ppm2      8.531 CV     1
  ASSI { 2796}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 51   and name HD21))
       4.200     2.400     1.800 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.66496E-03 ppm1      1.179 ppm2      7.774 CV     1
  ASSI { 2797}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 47   and name HN  ))
       4.200     2.400     1.800 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.10072E-02 ppm1      1.179 ppm2      7.546 CV     1
  ASSI { 2798}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 48   and name HN  ))
       4.100     2.300     1.900 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.61487E-03 ppm1      1.179 ppm2      7.314 CV     1
  ASSI { 2799}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 51   and name HD22))
       3.500     1.700     2.400 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.50636E-03 ppm1      1.179 ppm2      7.077 CV     1
  ASSI {  667}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 46   and name HB1 ))
       6.000     4.200     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.34777E-04 ppm1      7.321 ppm2      0.460 CV     1
  ASSI {  672}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 48   and name HB2 ))
       3.400     1.600     2.300 peak   672 spectrum    1 weight  0.10000E+01 volume  0.46463E-03 ppm1      7.321 ppm2      2.534 CV     1
  OR {  672}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 48   and name HG1 ))
  ASSI {  678}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 47   and name HN  ))
       2.900     1.100     1.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.12395E-02 ppm1      7.325 ppm2      7.531 CV     1
  ASSI { 2800}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 51   and name HB1 ))
       3.500     1.700     2.400 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.44376E-02 ppm1      4.147 ppm2      2.905 CV     1
  ASSI { 2802}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 69   and name HN  ))
       2.000     0.200     4.000 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.79571E-02 ppm1      4.153 ppm2      8.366 CV     1
  ASSI { 2803}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 51   and name HD21))
       2.500     0.700     3.500 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.26848E-02 ppm1      4.142 ppm2      7.772 CV     1
  ASSI { 2804}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       2.700     0.900     1.400 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.27544E-02 ppm1      4.146 ppm2      7.339 CV     1
  ASSI { 2805}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
       3.000     1.200     1.800 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.25040E-02 ppm1      4.147 ppm2      8.976 CV     1
  ASSI { 2808}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 51   and name HD22))
       3.500     1.700     2.500 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      4.141 ppm2      7.075 CV     1
  ASSI { 2810}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 45   and name HA  ))
       3.200     1.400     2.100 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.51192E-03 ppm1      2.336 ppm2      3.737 CV     1
  ASSI { 2817}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 49   and name HN  ))
       2.500     0.700     1.300 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      2.335 ppm2      8.530 CV     1
  ASSI { 2818}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 48   and name HN  ))
       2.800     1.000     1.600 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      2.334 ppm2      7.334 CV     1
  ASSI { 2820}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 45   and name HA  ))
       3.500     1.700     2.400 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.36447E-03 ppm1      2.547 ppm2      3.737 CV     1
  ASSI { 2821}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 51   and name HB1 ))
       2.300     0.500     3.700 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.57728E-01 ppm1      2.542 ppm2      2.896 CV     1
  ASSI { 2822}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
       3.000     1.200     1.800 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.78179E-03 ppm1      2.548 ppm2      7.335 CV     1
  ASSI { 2823}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 49   and name HN  ))
       4.000     2.200     2.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.77347E-03 ppm1      2.548 ppm2      8.525 CV     1
  ASSI { 2828}
    (( segid "    " and resid 48   and name HB2 ))
    (  segid "    " and resid 47   and name HG2%)
       3.800     2.000     2.200 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.11546E-02 ppm1      2.547 ppm2      1.160 CV     1
  ASSI { 2837}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 65   and name HA  ))
       3.600     1.800     2.400 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.19336E-02 ppm1      2.631 ppm2      4.297 CV     1
  ASSI { 2843}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 78   and name HB1 ))
       4.900     3.100     1.100 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.59817E-03 ppm1      2.629 ppm2      1.811 CV     1
  ASSI { 2844}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 45   and name HD1 ))
       3.500     1.700     2.500 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.68302E-03 ppm1      2.631 ppm2      1.606 CV     1
  ASSI { 2851}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 68   and name HN  ))
       3.900     2.100     2.100 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.75399E-03 ppm1      2.631 ppm2      8.065 CV     1
  ASSI { 2852}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 68   and name HE21))
       4.000     2.200     2.000 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.34499E-03 ppm1      2.632 ppm2      7.657 CV     1
  ASSI {  689}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 48   and name HN  ))
       2.900     1.100     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.83607E-03 ppm1      8.542 ppm2      7.313 CV     1
  ASSI { 2856}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 48   and name HG1 ))
       2.800     1.000     1.500 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      3.995 ppm2      2.546 CV     1
  OR { 2856}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 48   and name HB2 ))
  ASSI { 2860}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 53   and name HG1 ))
       2.600     0.800     1.400 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.19476E-02 ppm1      3.997 ppm2      1.484 CV     1
  ASSI { 2861}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 49   and name HB2 ))
       2.600     0.800     1.300 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.30187E-02 ppm1      4.005 ppm2      1.105 CV     1
  ASSI { 2862}
    (( segid "    " and resid 49   and name HA  ))
    (  segid "    " and resid 49   and name HD1%)
       2.400     0.600     1.100 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.28935E-02 ppm1      4.005 ppm2      0.899 CV     1
  ASSI { 2863}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
       2.900     1.100     1.700 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.13911E-02 ppm1      3.998 ppm2      8.967 CV     1
  ASSI { 2867}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       3.800     2.000     2.200 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.13160E-02 ppm1      3.995 ppm2      7.325 CV     1
  ASSI { 2868}
    (( segid "    " and resid 49   and name HB1 ))
    (( segid "    " and resid 49   and name HA  ))
       2.400     0.600     1.200 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.21006E-02 ppm1      1.918 ppm2      4.022 CV     1
  ASSI { 2878}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 53   and name HG1 ))
       4.300     2.500     1.700 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.79429E-03 ppm1      1.123 ppm2      1.498 CV     1
  ASSI { 2881}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 49   and name HN  ))
       2.600     0.800     1.300 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.79294E-03 ppm1      1.123 ppm2      8.526 CV     1
  ASSI { 2884}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 48   and name HG2 ))
       4.900     3.100     1.100 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.42290E-03 ppm1      0.885 ppm2      2.622 CV     1
  ASSI { 2888}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 53   and name HG1 ))
       2.500     0.700     3.500 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.55366E-02 ppm1      0.885 ppm2      1.506 CV     1
  OR { 2888}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 53   and name HD2 ))
  ASSI { 2892}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 49   and name HN  ))
       4.200     2.400     1.800 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.96818E-03 ppm1      0.883 ppm2      8.533 CV     1
  ASSI { 2895}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 48   and name HN  ))
       4.300     2.500     1.700 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.14885E-02 ppm1      0.888 ppm2      7.309 CV     1
  ASSI { 2896}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 46   and name HE22))
       4.400     2.600     1.600 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.86663E-03 ppm1      0.886 ppm2      6.841 CV     1
  ASSI { 2897}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 45   and name HA  ))
       5.900     4.100     0.100 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.24762E-03 ppm1      0.889 ppm2      3.731 CV     1
  ASSI {  691}
    (( segid "    " and resid 50   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       5.700     3.900     0.300 peak   691 spectrum    1 weight  0.10000E+01 volume  0.65381E-04 ppm1      8.481 ppm2      0.147 CV     1
  ASSI {  696}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 47   and name HA  ))
       3.400     1.600     2.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.79294E-03 ppm1      8.494 ppm2      3.721 CV     1
  ASSI {  698}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 51   and name HA  ))
       3.700     1.900     2.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      8.495 ppm2      4.590 CV     1
  ASSI {  699}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 51   and name HN  ))
       3.200     1.400     2.100 peak   699 spectrum    1 weight  0.10000E+01 volume  0.49523E-03 ppm1      8.483 ppm2      7.724 CV     1
  OR {  699}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 51   and name HD21))
  ASSI {  701}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 52   and name HN  ))
       5.100     3.300     0.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.11866E-03 ppm1      8.487 ppm2      8.969 CV     1
  ASSI { 2915}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 55   and name HA  ))
       6.000     4.200     0.000 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.19476E-03 ppm1      3.400 ppm2      4.438 CV     1
  ASSI { 2918}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 53   and name HE2 ))
       4.700     2.900     1.300 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.26570E-03 ppm1      3.398 ppm2      2.977 CV     1
  ASSI { 2920}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 55   and name HB1 ))
       4.100     2.300     1.900 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      3.392 ppm2      1.757 CV     1
  ASSI { 2922}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 53   and name HG1 ))
       4.600     2.800     1.400 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.64266E-03 ppm1      3.394 ppm2      1.496 CV     1
  ASSI { 2924}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 55   and name HG  ))
       2.800     1.000     1.600 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.12993E-02 ppm1      3.393 ppm2      0.750 CV     1
  ASSI { 2925}
    (( segid "    " and resid 50   and name HA  ))
    (  segid "    " and resid 55   and name HD2%)
       2.300     0.500     1.100 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.27822E-03 ppm1      3.391 ppm2      0.162 CV     1
  ASSI { 2926}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
       2.900     1.100     1.700 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.46184E-03 ppm1      3.393 ppm2      8.493 CV     1
  ASSI { 2930}
    (( segid "    " and resid 50   and name HB  ))
    (( segid "    " and resid 47   and name HA  ))
       3.200     1.400     2.100 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.40342E-03 ppm1      1.869 ppm2      3.689 CV     1
  ASSI { 2931}
    (( segid "    " and resid 50   and name HB  ))
    (( segid "    " and resid 50   and name HA  ))
       3.000     1.200     1.900 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.51470E-03 ppm1      1.869 ppm2      3.380 CV     1
  ASSI { 2936}
    (( segid "    " and resid 50   and name HB  ))
    (( segid "    " and resid 50   and name HN  ))
       2.500     0.700     1.300 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.18362E-02 ppm1      1.878 ppm2      8.487 CV     1
  ASSI { 2937}
    (( segid "    " and resid 50   and name HB  ))
    (( segid "    " and resid 51   and name HN  ))
       3.400     1.600     2.300 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.44932E-03 ppm1      1.870 ppm2      7.749 CV     1
  OR { 2937}
    (( segid "    " and resid 50   and name HB  ))
    (( segid "    " and resid 51   and name HD21))
  ASSI { 2952}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 47   and name HA  ))
       4.900     3.100     1.100 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.37421E-03 ppm1      1.036 ppm2      3.672 CV     1
  ASSI { 2953}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 50   and name HA  ))
       2.500     0.700     1.200 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.84993E-03 ppm1      1.038 ppm2      3.391 CV     1
  ASSI { 2958}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 55   and name HG  ))
       3.000     1.200     1.800 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.86386E-03 ppm1      1.044 ppm2      0.738 CV     1
  ASSI { 2959}
    (( segid "    " and resid 50   and name HG12))
    (  segid "    " and resid 55   and name HD2%)
       2.600     0.800     1.300 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.24344E-02 ppm1      1.032 ppm2      0.161 CV     1
  ASSI { 2960}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 50   and name HN  ))
       3.100     1.300     2.000 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.30187E-02 ppm1      1.034 ppm2      8.489 CV     1
  ASSI { 2969}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 51   and name HA  ))
       3.600     1.800     2.400 peak  2969 spectrum    1 weight  0.10000E+01 volume  0.60236E-03 ppm1      1.005 ppm2      4.563 CV     1
  ASSI { 2972}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 47   and name HA  ))
       5.700     3.900     0.300 peak  2972 spectrum    1 weight  0.10000E+01 volume  0.25735E-03 ppm1      1.005 ppm2      3.677 CV     1
  ASSI { 2973}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 50   and name HA  ))
       2.800     1.000     1.500 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.94735E-03 ppm1      1.004 ppm2      3.387 CV     1
  ASSI { 2975}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 57   and name HG1 ))
       5.200     3.400     0.800 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.16554E-03 ppm1      1.006 ppm2      2.557 CV     1
  ASSI { 2976}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 50   and name HB  ))
       2.300     0.500     1.100 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.37559E-02 ppm1      1.005 ppm2      1.863 CV     1
  ASSI { 2978}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 50   and name HN  ))
       4.300     2.500     1.700 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.82633E-03 ppm1      1.005 ppm2      8.490 CV     1
  ASSI { 2979}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 51   and name HD21))
       4.000     2.200     2.000 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      1.004 ppm2      7.786 CV     1
  ASSI { 2980}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 54   and name HN  ))
       5.300     3.500     0.700 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.13313E-03 ppm1      1.002 ppm2      7.497 CV     1
  ASSI { 2981}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 46   and name HE21))
       5.300     3.500     0.700 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.37699E-03 ppm1      1.008 ppm2      7.238 CV     1
  ASSI { 2982}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 52   and name HN  ))
       4.600     2.800     1.400 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.39090E-03 ppm1      1.006 ppm2      8.943 CV     1
  ASSI {  702}
    (( segid "    " and resid 51   and name HN  ))
    (  segid "    " and resid 50   and name HG2%)
       3.500     1.700     2.400 peak   702 spectrum    1 weight  0.10000E+01 volume  0.11490E-02 ppm1      7.722 ppm2      0.982 CV     1
  ASSI {  704}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 53   and name HG1 ))
       5.700     3.900     0.300 peak   704 spectrum    1 weight  0.10000E+01 volume  0.10878E-03 ppm1      7.719 ppm2      1.471 CV     1
  ASSI {  709}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 50   and name HA  ))
       4.000     2.200     2.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.11741E-03 ppm1      7.719 ppm2      3.397 CV     1
  ASSI {  710}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 47   and name HA  ))
       5.500     3.700     0.500 peak   710 spectrum    1 weight  0.10000E+01 volume  0.93897E-04 ppm1      7.721 ppm2      3.683 CV     1
  ASSI {  712}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 51   and name HA  ))
       3.600     1.800     2.400 peak   712 spectrum    1 weight  0.10000E+01 volume  0.48410E-03 ppm1      7.721 ppm2      4.589 CV     1
  ASSI {  713}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 51   and name HD22))
       5.800     4.000     0.200 peak   713 spectrum    1 weight  0.10000E+01 volume  0.11310E-03 ppm1      7.728 ppm2      7.065 CV     1
  ASSI {  715}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 50   and name HN  ))
       3.300     1.500     2.200 peak   715 spectrum    1 weight  0.10000E+01 volume  0.42567E-03 ppm1      7.721 ppm2      8.485 CV     1
  ASSI {  716}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 52   and name HN  ))
       3.400     1.600     2.400 peak   716 spectrum    1 weight  0.10000E+01 volume  0.34777E-03 ppm1      7.722 ppm2      8.953 CV     1
  ASSI { 2986}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 51   and name HB1 ))
       2.500     0.700     1.200 peak  2986 spectrum    1 weight  0.10000E+01 volume  0.41176E-02 ppm1      4.594 ppm2      2.912 CV     1
  ASSI { 2990}
    (( segid "    " and resid 51   and name HA  ))
    (  segid "    " and resid 50   and name HG2%)
       3.100     1.300     1.900 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.15163E-02 ppm1      4.592 ppm2      1.012 CV     1
  OR { 2990}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 50   and name HG12))
  ASSI { 2991}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
       3.300     1.500     2.100 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      4.591 ppm2      8.966 CV     1
  ASSI { 2992}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 51   and name HN  ))
       2.900     1.100     1.600 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.27126E-02 ppm1      4.593 ppm2      7.733 CV     1
  OR { 2992}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 51   and name HD21))
  ASSI { 2993}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 54   and name HN  ))
       2.900     1.100     1.700 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.20171E-02 ppm1      4.592 ppm2      7.531 CV     1
  ASSI { 2998}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 52   and name HN  ))
       3.900     2.100     2.100 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.88752E-03 ppm1      2.922 ppm2      8.954 CV     1
  ASSI { 2999}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 51   and name HD21))
       3.000     1.200     1.800 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.28100E-02 ppm1      2.900 ppm2      7.766 CV     1
  ASSI { 3000}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 50   and name HN  ))
       6.000     4.200     0.000 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.16832E-03 ppm1      2.911 ppm2      8.477 CV     1
  ASSI { 3001}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 51   and name HD22))
       4.800     3.000     1.200 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.56755E-03 ppm1      2.910 ppm2      7.075 CV     1
  ASSI {  719}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 53   and name HG1 ))
       4.200     2.400     1.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.58289E-03 ppm1      8.953 ppm2      1.489 CV     1
  ASSI {  720}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 52   and name HB2 ))
       2.400     0.600     1.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.28100E-02 ppm1      8.952 ppm2      2.187 CV     1
  ASSI {  722}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 50   and name HA  ))
       4.700     2.900     1.300 peak   722 spectrum    1 weight  0.10000E+01 volume  0.12937E-03 ppm1      8.947 ppm2      3.385 CV     1
  ASSI {  726}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 51   and name HN  ))
       3.100     1.300     1.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.74562E-03 ppm1      8.953 ppm2      7.721 CV     1
  OR {  726}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 51   and name HD21))
  ASSI {  727}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 53   and name HN  ))
       3.500     1.700     2.500 peak   727 spectrum    1 weight  0.10000E+01 volume  0.30048E-03 ppm1      8.952 ppm2      8.327 CV     1
  ASSI { 3002}
    (( segid "    " and resid 52   and name HB1 ))
    (( segid "    " and resid 52   and name HA  ))
       2.100     0.300     0.900 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.95153E-02 ppm1      2.060 ppm2      4.078 CV     1
  ASSI { 3003}
    (( segid "    " and resid 52   and name HB1 ))
    (( segid "    " and resid 48   and name HG1 ))
       3.000     1.200     3.000 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.80963E-02 ppm1      2.065 ppm2      2.512 CV     1
  ASSI { 3004}
    (( segid "    " and resid 52   and name HB1 ))
    (( segid "    " and resid 53   and name HG1 ))
       3.100     1.300     1.900 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.41733E-02 ppm1      2.063 ppm2      1.503 CV     1
  OR { 3004}
    (( segid "    " and resid 52   and name HB1 ))
    (( segid "    " and resid 53   and name HD2 ))
  ASSI { 3005}
    (( segid "    " and resid 52   and name HB1 ))
    (( segid "    " and resid 52   and name HN  ))
       3.700     1.900     2.300 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.17667E-02 ppm1      2.059 ppm2      8.961 CV     1
  ASSI { 3006}
    (( segid "    " and resid 52   and name HB1 ))
    (( segid "    " and resid 53   and name HN  ))
       3.100     1.300     1.900 peak  3006 spectrum    1 weight  0.10000E+01 volume  0.27544E-02 ppm1      2.058 ppm2      8.315 CV     1
  ASSI { 3007}
    (( segid "    " and resid 52   and name HB1 ))
    (( segid "    " and resid 54   and name HN  ))
       4.300     2.500     1.700 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.86527E-03 ppm1      2.063 ppm2      7.509 CV     1
  ASSI { 3008}
    (( segid "    " and resid 52   and name HB1 ))
    (( segid "    " and resid 51   and name HN  ))
       3.800     2.000     2.200 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.45906E-02 ppm1      2.060 ppm2      7.719 CV     1
  ASSI { 3009}
    (( segid "    " and resid 52   and name HB2 ))
    (( segid "    " and resid 52   and name HA  ))
       2.700     0.900     1.400 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.53140E-02 ppm1      2.204 ppm2      4.077 CV     1
  ASSI { 3010}
    (( segid "    " and resid 52   and name HB2 ))
    (  segid "    " and resid 49   and name HD1%)
       2.300     0.500     3.700 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.85554E-02 ppm1      2.191 ppm2      0.912 CV     1
  ASSI { 3012}
    (( segid "    " and resid 52   and name HB2 ))
    (( segid "    " and resid 53   and name HN  ))
       2.200     0.400     1.000 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.30465E-02 ppm1      2.190 ppm2      8.320 CV     1
  ASSI { 3013}
    (( segid "    " and resid 52   and name HG1 ))
    (( segid "    " and resid 52   and name HA  ))
       3.700     1.900     2.300 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      2.452 ppm2      4.073 CV     1
  ASSI { 3015}
    (( segid "    " and resid 52   and name HG1 ))
    (( segid "    " and resid 52   and name HN  ))
       4.300     2.500     1.700 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.10197E-02 ppm1      2.452 ppm2      8.958 CV     1
  ASSI { 3016}
    (( segid "    " and resid 52   and name HG1 ))
    (( segid "    " and resid 53   and name HN  ))
       4.400     2.600     1.600 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.12881E-02 ppm1      2.440 ppm2      8.309 CV     1
  ASSI { 3017}
    (( segid "    " and resid 52   and name HG1 ))
    (( segid "    " and resid 51   and name HN  ))
       5.400     3.600     0.600 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.47158E-03 ppm1      2.446 ppm2      7.729 CV     1
  ASSI { 3019}
    (( segid "    " and resid 52   and name HG2 ))
    (( segid "    " and resid 52   and name HA  ))
       3.000     1.200     1.800 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.22258E-02 ppm1      2.256 ppm2      4.091 CV     1
  ASSI { 3020}
    (( segid "    " and resid 52   and name HG2 ))
    (( segid "    " and resid 52   and name HB1 ))
       2.100     0.300     0.900 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.28517E-01 ppm1      2.263 ppm2      2.071 CV     1
  ASSI { 3021}
    (( segid "    " and resid 52   and name HG2 ))
    (( segid "    " and resid 53   and name HG1 ))
       3.900     2.100     2.100 peak  3021 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      2.260 ppm2      1.491 CV     1
  ASSI { 3022}
    (( segid "    " and resid 52   and name HG2 ))
    (  segid "    " and resid 49   and name HD1%)
       3.700     1.900     2.300 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      2.267 ppm2      0.910 CV     1
  ASSI { 3024}
    (( segid "    " and resid 52   and name HG2 ))
    (( segid "    " and resid 52   and name HN  ))
       2.900     1.100     1.700 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.75399E-03 ppm1      2.257 ppm2      8.961 CV     1
  ASSI { 3025}
    (( segid "    " and resid 52   and name HG2 ))
    (( segid "    " and resid 53   and name HN  ))
       4.100     2.300     1.900 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.11365E-02 ppm1      2.254 ppm2      8.322 CV     1
  ASSI {  729}
    (( segid "    " and resid 53   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       4.800     3.000     1.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.16276E-03 ppm1      8.316 ppm2      0.162 CV     1
  ASSI {  733}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 54   and name HB2 ))
       3.300     1.500     2.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      8.316 ppm2      2.138 CV     1
  ASSI {  734}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 53   and name HE2 ))
       3.900     2.100     2.100 peak   734 spectrum    1 weight  0.10000E+01 volume  0.63292E-03 ppm1      8.318 ppm2      2.943 CV     1
  ASSI {  735}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 50   and name HA  ))
       4.600     2.800     1.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.26292E-03 ppm1      8.317 ppm2      3.386 CV     1
  ASSI { 3028}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 54   and name HB2 ))
       3.100     1.300     1.900 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.10502E-02 ppm1      4.347 ppm2      2.155 CV     1
  ASSI { 3030}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HB2 ))
       2.500     0.700     1.300 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.55087E-02 ppm1      4.349 ppm2      1.673 CV     1
  OR { 3030}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HD1 ))
  ASSI { 3031}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HG1 ))
       2.600     0.800     1.300 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.68720E-02 ppm1      4.337 ppm2      1.469 CV     1
  ASSI { 3033}
    (( segid "    " and resid 53   and name HA  ))
    (  segid "    " and resid 55   and name HD2%)
       4.900     3.100     1.100 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.53140E-03 ppm1      4.348 ppm2      0.165 CV     1
  ASSI { 3034}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
       5.000     3.200     1.000 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.30465E-03 ppm1      4.346 ppm2      8.986 CV     1
  ASSI { 3035}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HN  ))
       3.000     1.200     1.800 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.12520E-02 ppm1      4.347 ppm2      8.313 CV     1
  ASSI { 3037}
    (( segid "    " and resid 53   and name HB1 ))
    (  segid "    " and resid 55   and name HD2%)
       2.700     0.900     1.500 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.22118E-02 ppm1      1.930 ppm2      0.155 CV     1
  ASSI { 3040}
    (( segid "    " and resid 53   and name HB2 ))
    (  segid "    " and resid 55   and name HD2%)
       1.900     0.100     4.100 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.69552E-03 ppm1      1.694 ppm2      0.164 CV     1
  ASSI { 3043}
    (( segid "    " and resid 53   and name HB2 ))
    (( segid "    " and resid 53   and name HN  ))
       2.800     1.000     1.600 peak  3043 spectrum    1 weight  0.10000E+01 volume  0.48549E-03 ppm1      1.695 ppm2      8.319 CV     1
  ASSI { 3045}
    (( segid "    " and resid 53   and name HD1 ))
    (  segid "    " and resid 55   and name HD2%)
       4.800     3.000     1.200 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.63015E-03 ppm1      1.651 ppm2      0.162 CV     1
  ASSI { 3046}
    (( segid "    " and resid 53   and name HD1 ))
    (( segid "    " and resid 53   and name HN  ))
       4.200     2.400     1.800 peak  3046 spectrum    1 weight  0.10000E+01 volume  0.13355E-02 ppm1      1.651 ppm2      8.312 CV     1
  ASSI { 3047}
    (( segid "    " and resid 53   and name HD2 ))
    (( segid "    " and resid 53   and name HA  ))
       4.400     2.600     1.600 peak  3047 spectrum    1 weight  0.10000E+01 volume  0.74007E-03 ppm1      1.546 ppm2      4.330 CV     1
  ASSI { 3049}
    (( segid "    " and resid 53   and name HD2 ))
    (( segid "    " and resid 53   and name HE1 ))
       2.100     0.300     0.900 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      1.550 ppm2      3.027 CV     1
  ASSI { 3050}
    (( segid "    " and resid 53   and name HD2 ))
    (  segid "    " and resid 55   and name HD2%)
       4.200     2.400     1.800 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.46880E-03 ppm1      1.547 ppm2      0.166 CV     1
  ASSI { 3052}
    (( segid "    " and resid 53   and name HD2 ))
    (( segid "    " and resid 53   and name HN  ))
       4.700     2.900     1.300 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.81795E-03 ppm1      1.545 ppm2      8.318 CV     1
  ASSI { 3054}
    (( segid "    " and resid 53   and name HD2 ))
    (( segid "    " and resid 55   and name HN  ))
       6.000     4.200     0.000 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.13647E-03 ppm1      1.547 ppm2      7.798 CV     1
  ASSI { 3056}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 53   and name HA  ))
       5.800     4.000     0.200 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.29352E-03 ppm1      2.941 ppm2      4.376 CV     1
  ASSI { 3059}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 53   and name HG1 ))
       2.000     0.200     0.800 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.40481E-02 ppm1      2.949 ppm2      1.471 CV     1
  ASSI { 3060}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 49   and name HB2 ))
       2.500     0.700     1.300 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.82073E-02 ppm1      2.942 ppm2      1.109 CV     1
  ASSI { 3063}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 50   and name HN  ))
       3.800     2.000     2.200 peak  3063 spectrum    1 weight  0.10000E+01 volume  0.67328E-03 ppm1      2.939 ppm2      8.476 CV     1
  ASSI { 3064}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 46   and name HE21))
       4.000     2.200     2.000 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.51888E-03 ppm1      2.947 ppm2      7.244 CV     1
  ASSI { 3069}
    (( segid "    " and resid 53   and name HG1 ))
    (( segid "    " and resid 52   and name HB2 ))
       2.200     0.400     3.800 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.61487E-02 ppm1      1.488 ppm2      2.215 CV     1
  ASSI { 3072}
    (( segid "    " and resid 53   and name HG1 ))
    (( segid "    " and resid 53   and name HN  ))
       2.000     0.200     0.800 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.38533E-02 ppm1      1.481 ppm2      8.304 CV     1
  ASSI {  742}
    (( segid "    " and resid 54   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       4.500     2.700     1.500 peak   742 spectrum    1 weight  0.10000E+01 volume  0.15163E-03 ppm1      7.515 ppm2      0.171 CV     1
  ASSI {  746}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 54   and name HB1 ))
       3.100     1.300     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      7.515 ppm2      1.819 CV     1
  ASSI {  747}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 54   and name HB2 ))
       2.800     1.000     1.600 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12061E-02 ppm1      7.514 ppm2      2.118 CV     1
  ASSI {  748}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 53   and name HE2 ))
       5.700     3.900     0.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.27266E-03 ppm1      7.515 ppm2      2.982 CV     1
  ASSI {  749}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 50   and name HA  ))
       5.300     3.500     0.700 peak   749 spectrum    1 weight  0.10000E+01 volume  0.12993E-03 ppm1      7.515 ppm2      3.391 CV     1
  ASSI {  752}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 53   and name HA  ))
       3.000     1.200     1.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      7.514 ppm2      4.318 CV     1
  ASSI {  754}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 55   and name HN  ))
       3.000     1.200     1.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.44654E-03 ppm1      7.515 ppm2      7.821 CV     1
  ASSI {  755}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 53   and name HN  ))
       2.800     1.000     1.600 peak   755 spectrum    1 weight  0.10000E+01 volume  0.98770E-03 ppm1      7.515 ppm2      8.321 CV     1
  ASSI {  756}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 52   and name HN  ))
       4.800     3.000     1.200 peak   756 spectrum    1 weight  0.10000E+01 volume  0.85412E-04 ppm1      7.516 ppm2      8.951 CV     1
  ASSI { 3074}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 54   and name HB2 ))
       2.100     0.300     3.900 peak  3074 spectrum    1 weight  0.10000E+01 volume  0.50775E-02 ppm1      4.115 ppm2      2.112 CV     1
  ASSI { 3075}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 54   and name HB1 ))
       2.400     0.600     1.100 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.70945E-02 ppm1      4.114 ppm2      1.841 CV     1
  ASSI { 3076}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 54   and name HG1 ))
       2.100     0.300     0.900 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.59675E-02 ppm1      4.109 ppm2      1.429 CV     1
  ASSI { 3077}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 54   and name HN  ))
       2.500     0.700     1.300 peak  3077 spectrum    1 weight  0.10000E+01 volume  0.24066E-02 ppm1      4.122 ppm2      7.529 CV     1
  ASSI { 3078}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 55   and name HN  ))
       2.400     0.600     1.100 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.20449E-02 ppm1      4.116 ppm2      7.830 CV     1
  ASSI { 3079}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 53   and name HN  ))
       3.900     2.100     2.100 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.18501E-02 ppm1      4.122 ppm2      8.327 CV     1
  ASSI { 3082}
    (( segid "    " and resid 54   and name HB1 ))
    (( segid "    " and resid 54   and name HG1 ))
       2.400     0.600     1.100 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.95986E-02 ppm1      1.850 ppm2      1.427 CV     1
  ASSI { 3083}
    (( segid "    " and resid 54   and name HB1 ))
    (( segid "    " and resid 55   and name HN  ))
       2.500     0.700     3.500 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.19614E-02 ppm1      1.839 ppm2      7.838 CV     1
  ASSI { 3089}
    (( segid "    " and resid 54   and name HB2 ))
    (( segid "    " and resid 55   and name HN  ))
       3.500     1.700     2.500 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.40203E-03 ppm1      2.116 ppm2      7.837 CV     1
  ASSI { 3094}
    (( segid "    " and resid 54   and name HG1 ))
    (( segid "    " and resid 54   and name HB2 ))
       2.300     0.500     1.000 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.33942E-02 ppm1      1.413 ppm2      2.125 CV     1
  ASSI { 3095}
    (( segid "    " and resid 78   and name HG2 ))
    (( segid "    " and resid 78   and name HB1 ))
       1.800     0.000     4.200 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.37699E-01 ppm1      1.409 ppm2      1.784 CV     1
  ASSI { 3096}
    (( segid "    " and resid 78   and name HG2 ))
    (( segid "    " and resid 79   and name HN  ))
       4.100     2.300     1.900 peak  3096 spectrum    1 weight  0.10000E+01 volume  0.88056E-03 ppm1      1.411 ppm2      8.578 CV     1
  ASSI { 3098}
    (( segid "    " and resid 54   and name HG1 ))
    (( segid "    " and resid 55   and name HN  ))
       3.700     1.900     2.300 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.87082E-03 ppm1      1.416 ppm2      7.830 CV     1
  ASSI { 3099}
    (( segid "    " and resid 54   and name HG1 ))
    (( segid "    " and resid 54   and name HN  ))
       4.100     2.300     1.900 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      1.415 ppm2      7.517 CV     1
  ASSI {  757}
    (( segid "    " and resid 55   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       2.200     0.400     3.800 peak   757 spectrum    1 weight  0.10000E+01 volume  0.36725E-03 ppm1      7.831 ppm2      0.171 CV     1
  ASSI {  760}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 53   and name HG1 ))
       4.800     3.000     1.200 peak   760 spectrum    1 weight  0.10000E+01 volume  0.98906E-03 ppm1      7.830 ppm2      1.480 CV     1
  ASSI {  762}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 53   and name HE2 ))
       6.000     4.200     0.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.16415E-03 ppm1      7.836 ppm2      2.949 CV     1
  ASSI {  763}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 50   and name HA  ))
       4.700     2.900     1.300 peak   763 spectrum    1 weight  0.10000E+01 volume  0.26709E-03 ppm1      7.830 ppm2      3.391 CV     1
  ASSI {  765}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 55   and name HA  ))
       2.800     1.000     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.75677E-03 ppm1      7.830 ppm2      4.431 CV     1
  ASSI {  769}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 53   and name HN  ))
       5.600     3.800     0.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.10976E-03 ppm1      7.832 ppm2      8.332 CV     1
  ASSI {  770}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 52   and name HN  ))
       3.000     1.200     3.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.54809E-04 ppm1      7.831 ppm2      8.961 CV     1
  ASSI {  771}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 56   and name HN  ))
       5.100     3.300     0.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.11268E-03 ppm1      7.831 ppm2     12.177 CV     1
  ASSI { 3101}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 54   and name HA  ))
       4.100     2.300     1.900 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.27404E-03 ppm1      4.433 ppm2      4.113 CV     1
  ASSI { 3102}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 56   and name HA  ))
       6.000     4.200     0.000 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.43402E-04 ppm1      4.444 ppm2      4.936 CV     1
  ASSI { 3110}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 55   and name HB2 ))
       3.000     1.200     1.800 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.82633E-03 ppm1      4.439 ppm2      1.194 CV     1
  ASSI { 3111}
    (( segid "    " and resid 55   and name HA  ))
    (  segid "    " and resid 55   and name HD2%)
       3.500     1.700     2.500 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      4.437 ppm2      0.161 CV     1
  ASSI { 3112}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 56   and name HN  ))
       2.700     0.900     1.500 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.10239E-02 ppm1      4.438 ppm2     12.207 CV     1
  ASSI { 3115}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 54   and name HN  ))
       5.000     3.200     1.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      4.445 ppm2      7.548 CV     1
  ASSI { 3120}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 50   and name HA  ))
       6.000     4.200     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.15997E-03 ppm1      1.186 ppm2      3.365 CV     1
  ASSI { 3125}
    (( segid "    " and resid 55   and name HB2 ))
    (  segid "    " and resid 55   and name HD2%)
       4.200     2.400     1.800 peak  3125 spectrum    1 weight  0.10000E+01 volume  0.42011E-03 ppm1      1.184 ppm2      0.158 CV     1
  ASSI { 3126}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 56   and name HN  ))
       3.600     1.800     2.400 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.36447E-03 ppm1      1.170 ppm2     12.206 CV     1
  ASSI { 3133}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 53   and name HE2 ))
       3.600     1.800     2.400 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.37142E-03 ppm1      0.164 ppm2      2.921 CV     1
  ASSI { 3136}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 53   and name HG1 ))
       3.300     1.500     2.200 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.17945E-02 ppm1      0.164 ppm2      1.500 CV     1
  ASSI { 3138}
    (  segid "    " and resid 55   and name HD2%)
    (  segid "    " and resid 50   and name HG2%)
       2.800     1.000     1.600 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.30326E-02 ppm1      0.164 ppm2      0.987 CV     1
  ASSI { 3139}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 55   and name HG  ))
       2.200     0.400     1.000 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.22953E-02 ppm1      0.164 ppm2      0.735 CV     1
  ASSI { 3142}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 56   and name HN  ))
       2.200     0.400     3.800 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.38673E-03 ppm1      0.163 ppm2     12.208 CV     1
  ASSI { 3145}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 62   and name HD2 ))
       3.000     1.200     1.800 peak  3145 spectrum    1 weight  0.10000E+01 volume  0.52722E-04 ppm1      0.165 ppm2      6.819 CV     1
  ASSI { 3146}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 55   and name HA  ))
       3.700     1.900     2.300 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.66773E-03 ppm1      0.729 ppm2      4.430 CV     1
  ASSI { 3147}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 54   and name HA  ))
       4.200     2.400     1.800 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.62183E-03 ppm1      0.728 ppm2      4.085 CV     1
  ASSI {  773}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 55   and name HG  ))
       4.400     2.600     1.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.19476E-03 ppm1     12.186 ppm2      0.752 CV     1
  ASSI {  775}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 55   and name HB1 ))
       4.300     2.500     1.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.77482E-03 ppm1     12.187 ppm2      1.717 CV     1
  ASSI {  777}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 59   and name HB2 ))
       5.800     4.000     0.200 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11295E-03 ppm1     12.185 ppm2      2.453 CV     1
  ASSI {  780}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 62   and name HB1 ))
       5.400     3.600     0.600 peak   780 spectrum    1 weight  0.10000E+01 volume  0.15163E-03 ppm1     12.187 ppm2      4.048 CV     1
  ASSI {  782}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 56   and name HA  ))
       3.800     2.000     2.200 peak   782 spectrum    1 weight  0.10000E+01 volume  0.18501E-03 ppm1     12.187 ppm2      4.954 CV     1
  ASSI {  783}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 56   and name HD22))
       4.900     3.100     1.100 peak   783 spectrum    1 weight  0.10000E+01 volume  0.12283E-03 ppm1     12.188 ppm2      7.176 CV     1
  ASSI {  785}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 59   and name HN  ))
       6.000     4.200     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.79571E-04 ppm1     12.187 ppm2      8.152 CV     1
  ASSI {  787}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 57   and name HN  ))
       6.000     4.200     0.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.37421E-04 ppm1     12.187 ppm2      9.102 CV     1
  ASSI { 3163}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 57   and name HA  ))
       6.000     4.200     0.000 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.72479E-04 ppm1      4.932 ppm2      4.489 CV     1
  ASSI { 3164}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 56   and name HB1 ))
       3.600     1.800     2.400 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.34499E-03 ppm1      4.931 ppm2      3.255 CV     1
  ASSI { 3165}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 56   and name HB2 ))
       3.500     1.700     2.500 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.52027E-03 ppm1      4.931 ppm2      2.966 CV     1
  ASSI { 3166}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 57   and name HG1 ))
       5.900     4.100     0.100 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.38811E-03 ppm1      4.932 ppm2      2.504 CV     1
  ASSI { 3169}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 57   and name HN  ))
       3.400     1.600     2.300 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.34221E-03 ppm1      4.931 ppm2      9.121 CV     1
  ASSI {  789}
    (( segid "    " and resid 57   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       3.300     1.500     2.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.29491E-04 ppm1      9.118 ppm2      0.186 CV     1
  ASSI {  791}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 57   and name HG1 ))
       4.500     2.700     1.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.74007E-03 ppm1      9.116 ppm2      2.535 CV     1
  ASSI {  792}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 57   and name HG2 ))
       3.100     1.300     1.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.58843E-03 ppm1      9.117 ppm2      2.926 CV     1
  ASSI {  798}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 58   and name HN  ))
       3.500     1.700     2.500 peak   798 spectrum    1 weight  0.10000E+01 volume  0.24622E-03 ppm1      9.117 ppm2      8.434 CV     1
  ASSI { 3175}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HG1 ))
       3.600     1.800     2.400 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      4.506 ppm2      2.542 CV     1
  ASSI { 3177}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 58   and name HN  ))
       2.300     0.500     1.100 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.29491E-02 ppm1      4.507 ppm2      8.420 CV     1
  ASSI { 3178}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 59   and name HN  ))
       2.500     0.700     3.500 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.40620E-02 ppm1      4.495 ppm2      8.175 CV     1
  ASSI { 3179}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HN  ))
       2.700     0.900     1.500 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      4.507 ppm2      9.124 CV     1
  ASSI { 3180}
    (( segid "    " and resid 57   and name HB1 ))
    (( segid "    " and resid 57   and name HG2 ))
       3.500     1.700     2.400 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      2.120 ppm2      2.887 CV     1
  ASSI { 3186}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 57   and name HN  ))
       2.800     1.000     1.500 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      2.236 ppm2      9.120 CV     1
  ASSI { 3187}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 58   and name HN  ))
       3.500     1.700     2.500 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.53418E-03 ppm1      2.233 ppm2      8.471 CV     1
  ASSI { 3192}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 62   and name HB1 ))
       3.000     1.200     1.800 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.75813E-03 ppm1      2.070 ppm2      4.051 CV     1
  ASSI { 3194}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 47   and name HA  ))
       2.200     0.400     3.800 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.35751E-03 ppm1      2.073 ppm2      3.678 CV     1
  ASSI { 3195}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 50   and name HA  ))
       4.200     2.400     1.800 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.35195E-03 ppm1      2.074 ppm2      3.374 CV     1
  ASSI { 3197}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 57   and name HG1 ))
       4.900     3.100     1.100 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.31856E-03 ppm1      2.073 ppm2      2.512 CV     1
  ASSI { 3201}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 55   and name HB2 ))
       3.100     1.300     1.900 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.22118E-02 ppm1      2.072 ppm2      1.171 CV     1
  ASSI { 3203}
    (  segid "    " and resid 57   and name HE% )
    (  segid "    " and resid 55   and name HD2%)
       2.100     0.300     0.900 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.45211E-03 ppm1      2.072 ppm2      0.160 CV     1
  ASSI { 3204}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 55   and name HG  ))
       2.600     0.800     1.400 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      2.073 ppm2      0.759 CV     1
  ASSI { 3206}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 56   and name HN  ))
       3.500     1.700     2.400 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.10990E-02 ppm1      2.073 ppm2     12.218 CV     1
  ASSI { 3207}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 57   and name HN  ))
       4.100     2.300     1.900 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.29352E-03 ppm1      2.072 ppm2      9.122 CV     1
  ASSI { 3208}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 63   and name HN  ))
       4.100     2.300     1.900 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.76373E-03 ppm1      2.073 ppm2      8.365 CV     1
  ASSI { 3211}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 46   and name HE21))
       4.200     2.400     1.800 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.51053E-03 ppm1      2.072 ppm2      7.206 CV     1
  ASSI { 3218}
    (( segid "    " and resid 57   and name HG2 ))
    (( segid "    " and resid 57   and name HA  ))
       3.800     2.000     2.200 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.49245E-03 ppm1      2.894 ppm2      4.497 CV     1
  ASSI { 3219}
    (( segid "    " and resid 57   and name HG2 ))
    (( segid "    " and resid 56   and name HA  ))
       4.400     2.600     1.600 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.36169E-03 ppm1      2.894 ppm2      4.953 CV     1
  ASSI { 3223}
    (( segid "    " and resid 57   and name HG2 ))
    (  segid "    " and resid 50   and name HD1%)
       3.000     1.200     1.800 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.11755E-02 ppm1      2.892 ppm2      0.884 CV     1
  ASSI {  805}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 58   and name HG2 ))
       3.500     1.700     2.400 peak   805 spectrum    1 weight  0.10000E+01 volume  0.28796E-02 ppm1      8.445 ppm2      2.792 CV     1
  ASSI {  807}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 62   and name HB1 ))
       4.100     2.300     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.99461E-03 ppm1      8.444 ppm2      4.056 CV     1
  ASSI {  811}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 56   and name HD22))
       3.700     1.900     2.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.22118E-02 ppm1      8.445 ppm2      7.153 CV     1
  ASSI {  814}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 56   and name HN  ))
       6.000     4.200     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.35612E-04 ppm1      8.445 ppm2     12.170 CV     1
  ASSI {  815}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 59   and name HN  ))
       2.000     0.200     0.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.45628E-02 ppm1      8.454 ppm2      8.188 CV     1
  ASSI { 3230}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 58   and name HG1 ))
       2.600     0.800     1.400 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.26848E-02 ppm1      4.534 ppm2      2.562 CV     1
  ASSI { 3234}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 59   and name HN  ))
       3.400     1.600     2.400 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.81241E-03 ppm1      4.534 ppm2      8.188 CV     1
  ASSI { 3235}
    (( segid "    " and resid 58   and name HB1 ))
    (( segid "    " and resid 58   and name HN  ))
       2.600     0.800     1.400 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      2.265 ppm2      8.459 CV     1
  ASSI { 3237}
    (( segid "    " and resid 58   and name HB1 ))
    (( segid "    " and resid 56   and name HD22))
       3.200     1.400     2.100 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.18641E-02 ppm1      2.269 ppm2      7.126 CV     1
  ASSI { 3239}
    (  segid "    " and resid 58   and name HE% )
    (( segid "    " and resid 58   and name HA  ))
       2.100     0.300     3.900 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.42150E-03 ppm1      2.166 ppm2      4.543 CV     1
  ASSI { 3245}
    (  segid "    " and resid 58   and name HE% )
    (( segid "    " and resid 58   and name HG2 ))
       5.100     3.300     0.900 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.92788E-04 ppm1      2.161 ppm2      2.796 CV     1
  ASSI { 3251}
    (( segid "    " and resid 58   and name HG2 ))
    (( segid "    " and resid 58   and name HA  ))
       3.800     2.000     2.200 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.80545E-03 ppm1      2.790 ppm2      4.537 CV     1
  ASSI { 3255}
    (( segid "    " and resid 58   and name HG2 ))
    (( segid "    " and resid 58   and name HB2 ))
       4.000     2.200     2.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.59262E-03 ppm1      2.791 ppm2      2.102 CV     1
  ASSI { 3257}
    (( segid "    " and resid 58   and name HG2 ))
    (( segid "    " and resid 59   and name HN  ))
       4.400     2.600     1.600 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.38116E-03 ppm1      2.791 ppm2      8.200 CV     1
  ASSI { 3263}
    (( segid "    " and resid 58   and name HG1 ))
    (( segid "    " and resid 58   and name HN  ))
       4.400     2.600     1.600 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.90422E-03 ppm1      2.585 ppm2      8.459 CV     1
  ASSI { 3264}
    (( segid "    " and resid 58   and name HG1 ))
    (( segid "    " and resid 59   and name HN  ))
       5.400     3.600     0.600 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.29908E-03 ppm1      2.598 ppm2      8.180 CV     1
  ASSI {  816}
    (( segid "    " and resid 59   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       2.800     1.000     3.200 peak   816 spectrum    1 weight  0.10000E+01 volume  0.82633E-04 ppm1      8.182 ppm2      0.193 CV     1
  ASSI {  818}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 55   and name HB2 ))
       4.300     2.500     1.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.65104E-03 ppm1      8.179 ppm2      1.189 CV     1
  ASSI {  822}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 59   and name HD22))
       4.900     3.100     1.100 peak   822 spectrum    1 weight  0.10000E+01 volume  0.79294E-03 ppm1      8.186 ppm2      7.011 CV     1
  ASSI {  823}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 59   and name HD21))
       4.800     3.000     1.200 peak   823 spectrum    1 weight  0.10000E+01 volume  0.44376E-03 ppm1      8.188 ppm2      7.271 CV     1
  ASSI {  826}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 57   and name HN  ))
       5.900     4.100     0.100 peak   826 spectrum    1 weight  0.10000E+01 volume  0.11101E-03 ppm1      8.200 ppm2      9.125 CV     1
  ASSI { 3267}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 60   and name HA  ))
       4.300     2.500     1.700 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.72479E-03 ppm1      4.756 ppm2      3.976 CV     1
  ASSI { 3271}
    (( segid "    " and resid 59   and name HA  ))
    (  segid "    " and resid 60   and name HB% )
       4.500     2.700     1.500 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.13674E-02 ppm1      4.754 ppm2      1.570 CV     1
  ASSI { 3275}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HD21))
       5.300     3.500     0.700 peak  3275 spectrum    1 weight  0.10000E+01 volume  0.16972E-03 ppm1      4.757 ppm2      7.283 CV     1
  ASSI { 3276}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HD22))
       5.400     3.600     0.600 peak  3276 spectrum    1 weight  0.10000E+01 volume  0.13827E-03 ppm1      4.756 ppm2      7.011 CV     1
  ASSI { 3277}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HN  ))
       3.500     1.700     2.400 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.38951E-03 ppm1      4.756 ppm2      8.192 CV     1
  ASSI { 3282}
    (( segid "    " and resid 60   and name HA  ))
    (  segid "    " and resid 60   and name HB% )
       2.500     0.700     1.300 peak  3282 spectrum    1 weight  0.10000E+01 volume  0.46184E-02 ppm1      3.962 ppm2      1.599 CV     1
  ASSI { 3293}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 63   and name HB1 ))
       4.500     2.700     1.500 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.13243E-02 ppm1      1.587 ppm2      2.174 CV     1
  ASSI { 3297}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 61   and name HN  ))
       3.400     1.600     2.200 peak  3297 spectrum    1 weight  0.10000E+01 volume  0.94870E-03 ppm1      1.588 ppm2      8.534 CV     1
  ASSI {  833}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 61   and name HB1 ))
       3.200     1.400     2.100 peak   833 spectrum    1 weight  0.10000E+01 volume  0.37559E-02 ppm1      8.525 ppm2      2.284 CV     1
  ASSI {  836}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 60   and name HA  ))
       3.400     1.600     2.300 peak   836 spectrum    1 weight  0.10000E+01 volume  0.89448E-03 ppm1      8.525 ppm2      3.990 CV     1
  ASSI {  838}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 62   and name HA  ))
       4.400     2.600     1.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.66354E-03 ppm1      8.524 ppm2      4.630 CV     1
  ASSI {  841}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 59   and name HD21))
       4.100     2.300     1.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.54809E-03 ppm1      8.521 ppm2      7.284 CV     1
  ASSI { 3304}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 61   and name HN  ))
       2.600     0.800     1.400 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.29074E-02 ppm1      4.244 ppm2      8.547 CV     1
  ASSI { 3308}
    (( segid "    " and resid 61   and name HB1 ))
    (( segid "    " and resid 61   and name HA  ))
       2.200     0.400     1.000 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.56896E-02 ppm1      2.289 ppm2      4.236 CV     1
  ASSI { 3310}
    (( segid "    " and resid 61   and name HB1 ))
    (( segid "    " and resid 62   and name HA  ))
       2.900     1.100     1.700 peak  3310 spectrum    1 weight  0.10000E+01 volume  0.35612E-02 ppm1      2.296 ppm2      4.595 CV     1
  ASSI { 3313}
    (( segid "    " and resid 61   and name HB1 ))
    (( segid "    " and resid 62   and name HD2 ))
       4.200     2.400     1.800 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.33665E-03 ppm1      2.280 ppm2      6.827 CV     1
  ASSI { 3314}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 62   and name HA  ))
       3.000     1.200     1.800 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.32552E-02 ppm1      2.252 ppm2      4.600 CV     1
  ASSI { 3316}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 61   and name HA  ))
       2.600     0.800     1.400 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.45489E-02 ppm1      2.239 ppm2      4.238 CV     1
  ASSI { 3317}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 61   and name HN  ))
       2.600     0.800     1.300 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      2.238 ppm2      8.534 CV     1
  ASSI { 3319}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 62   and name HD2 ))
       3.000     1.200     1.800 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      2.238 ppm2      6.831 CV     1
  ASSI { 3320}
    (( segid "    " and resid 61   and name HG1 ))
    (( segid "    " and resid 61   and name HA  ))
       3.500     1.700     2.400 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.12075E-02 ppm1      2.510 ppm2      4.242 CV     1
  ASSI { 3323}
    (( segid "    " and resid 61   and name HG1 ))
    (( segid "    " and resid 61   and name HN  ))
       2.800     1.000     1.600 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.91537E-03 ppm1      2.512 ppm2      8.531 CV     1
  ASSI { 3326}
    (( segid "    " and resid 61   and name HG1 ))
    (( segid "    " and resid 59   and name HD21))
       6.000     4.200     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.10252E-03 ppm1      2.520 ppm2      7.261 CV     1
  ASSI { 3327}
    (( segid "    " and resid 61   and name HG2 ))
    (( segid "    " and resid 61   and name HA  ))
       2.500     0.700     1.200 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.34221E-02 ppm1      2.411 ppm2      4.240 CV     1
  ASSI { 3329}
    (( segid "    " and resid 61   and name HG2 ))
    (( segid "    " and resid 61   and name HN  ))
       3.900     2.100     2.100 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      2.411 ppm2      8.535 CV     1
  ASSI {  845}
    (( segid "    " and resid 62   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       2.500     0.700     3.500 peak   845 spectrum    1 weight  0.10000E+01 volume  0.16276E-03 ppm1      7.861 ppm2      0.177 CV     1
  ASSI {  848}
    (( segid "    " and resid 62   and name HN  ))
    (  segid "    " and resid 60   and name HB% )
       4.600     2.800     1.400 peak   848 spectrum    1 weight  0.10000E+01 volume  0.58289E-03 ppm1      7.861 ppm2      1.623 CV     1
  ASSI {  850}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 61   and name HB2 ))
       2.400     0.600     1.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.37421E-02 ppm1      7.861 ppm2      2.262 CV     1
  OR {  850}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 61   and name HB1 ))
  ASSI {  851}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 62   and name HB2 ))
       3.100     1.300     1.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.42846E-03 ppm1      7.864 ppm2      2.918 CV     1
  ASSI {  853}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 62   and name HB1 ))
       3.600     1.800     2.400 peak   853 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      7.861 ppm2      4.046 CV     1
  ASSI {  854}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 63   and name HA  ))
       3.500     1.700     2.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      7.859 ppm2      4.199 CV     1
  ASSI {  855}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 62   and name HA  ))
       3.000     1.200     1.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.80963E-03 ppm1      7.861 ppm2      4.599 CV     1
  ASSI {  857}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 62   and name HD2 ))
       3.800     2.000     2.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.41594E-03 ppm1      7.861 ppm2      6.828 CV     1
  ASSI {  858}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 59   and name HD21))
       3.800     2.000     2.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.13188E-03 ppm1      7.860 ppm2      7.257 CV     1
  ASSI {  862}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 56   and name HN  ))
       6.000     4.200     0.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.43402E-04 ppm1      7.860 ppm2     12.173 CV     1
  ASSI { 3332}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HB1 ))
       2.100     0.300     0.900 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.51610E-02 ppm1      4.604 ppm2      4.024 CV     1
  ASSI { 3334}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HB2 ))
       2.700     0.900     1.500 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.28100E-02 ppm1      4.598 ppm2      2.904 CV     1
  ASSI { 3338}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 55   and name HG  ))
       4.200     2.400     1.800 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      4.612 ppm2      0.736 CV     1
  ASSI { 3339}
    (( segid "    " and resid 62   and name HA  ))
    (  segid "    " and resid 55   and name HD2%)
       1.900     0.100     4.100 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.73730E-03 ppm1      4.606 ppm2      0.162 CV     1
  ASSI { 3341}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
       2.700     0.900     1.500 peak  3341 spectrum    1 weight  0.10000E+01 volume  0.26848E-02 ppm1      4.602 ppm2      8.358 CV     1
  ASSI { 3343}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HD2 ))
       2.800     1.000     1.600 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      4.606 ppm2      6.824 CV     1
  ASSI { 3346}
    (( segid "    " and resid 62   and name HB1 ))
    (  segid "    " and resid 55   and name HD2%)
       2.200     0.400     0.900 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.37699E-03 ppm1      4.024 ppm2      0.159 CV     1
  ASSI { 3347}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 55   and name HG  ))
       4.200     2.400     1.800 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.37142E-03 ppm1      4.037 ppm2      0.737 CV     1
  ASSI { 3349}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 55   and name HB2 ))
       3.000     1.200     1.800 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.64130E-03 ppm1      4.038 ppm2      1.156 CV     1
  ASSI { 3352}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 63   and name HN  ))
       4.100     2.300     1.900 peak  3352 spectrum    1 weight  0.10000E+01 volume  0.41455E-03 ppm1      4.037 ppm2      8.365 CV     1
  ASSI { 3354}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 55   and name HB2 ))
       3.500     1.700     2.500 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      2.909 ppm2      1.152 CV     1
  ASSI { 3356}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 55   and name HG  ))
       4.700     2.900     1.300 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.76650E-03 ppm1      2.895 ppm2      0.743 CV     1
  ASSI { 3357}
    (( segid "    " and resid 62   and name HB2 ))
    (  segid "    " and resid 55   and name HD2%)
       2.000     0.200     4.000 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.63156E-03 ppm1      2.909 ppm2      0.160 CV     1
  ASSI {  863}
    (( segid "    " and resid 63   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       3.000     1.200     3.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.55783E-04 ppm1      8.379 ppm2      0.173 CV     1
  ASSI {  865}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 64   and name HG2 ))
       3.900     2.100     2.100 peak   865 spectrum    1 weight  0.10000E+01 volume  0.26848E-02 ppm1      8.378 ppm2      1.657 CV     1
  ASSI { 3361}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 64   and name HG2 ))
       3.100     1.300     2.900 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.52445E-02 ppm1      4.168 ppm2      1.682 CV     1
  ASSI { 3362}
    (( segid "    " and resid 63   and name HA  ))
    (  segid "    " and resid 66   and name HD1%)
       3.700     1.900     2.300 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.35751E-02 ppm1      4.165 ppm2      1.034 CV     1
  ASSI { 3363}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
       2.200     0.400     1.000 peak  3363 spectrum    1 weight  0.10000E+01 volume  0.55644E-02 ppm1      4.169 ppm2      8.354 CV     1
  ASSI {  879}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 64   and name HE1 ))
       6.000     4.200     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.27126E-03 ppm1      7.916 ppm2      3.007 CV     1
  ASSI {  890}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 63   and name HN  ))
       2.800     1.000     1.600 peak   890 spectrum    1 weight  0.10000E+01 volume  0.10892E-02 ppm1      7.917 ppm2      8.353 CV     1
  ASSI { 3368}
    (( segid "    " and resid 64   and name HB1 ))
    (( segid "    " and resid 64   and name HN  ))
       3.000     1.200     1.800 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.43124E-02 ppm1      2.073 ppm2      7.904 CV     1
  ASSI { 3371}
    (( segid "    " and resid 64   and name HD1 ))
    (( segid "    " and resid 64   and name HE1 ))
       2.500     0.700     1.200 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.86109E-02 ppm1      1.799 ppm2      3.046 CV     1
  ASSI { 3373}
    (( segid "    " and resid 64   and name HD1 ))
    (( segid "    " and resid 64   and name HN  ))
       3.400     1.600     2.300 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.23927E-02 ppm1      1.807 ppm2      7.891 CV     1
  ASSI { 3377}
    (( segid "    " and resid 64   and name HG2 ))
    (( segid "    " and resid 64   and name HE1 ))
       2.600     0.800     1.300 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      1.688 ppm2      3.042 CV     1
  ASSI { 3378}
    (( segid "    " and resid 64   and name HG2 ))
    (( segid "    " and resid 67   and name HB1 ))
       4.800     3.000     1.200 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.20032E-03 ppm1      1.674 ppm2      2.346 CV     1
  OR { 3378}
    (( segid "    " and resid 64   and name HG2 ))
    (( segid "    " and resid 67   and name HG2 ))
  ASSI { 3379}
    (( segid "    " and resid 64   and name HG2 ))
    (( segid "    " and resid 64   and name HB1 ))
       2.500     0.700     1.200 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      1.680 ppm2      2.082 CV     1
  ASSI { 3381}
    (( segid "    " and resid 64   and name HG2 ))
    (( segid "    " and resid 64   and name HN  ))
       4.300     2.500     1.700 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.56619E-03 ppm1      1.681 ppm2      7.914 CV     1
  ASSI {  891}
    (( segid "    " and resid 65   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       2.400     0.600     3.600 peak   891 spectrum    1 weight  0.10000E+01 volume  0.19058E-03 ppm1      7.851 ppm2      0.177 CV     1
  ASSI { 3385}
    (( segid "    " and resid 65   and name HA  ))
    (  segid "    " and resid 65   and name HD1%)
       3.300     1.500     2.200 peak  3385 spectrum    1 weight  0.10000E+01 volume  0.41872E-02 ppm1      4.311 ppm2      0.982 CV     1
  ASSI { 3387}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 68   and name HN  ))
       2.900     1.100     1.700 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      4.312 ppm2      8.057 CV     1
  ASSI { 3388}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 65   and name HN  ))
       2.700     0.900     1.500 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.19058E-02 ppm1      4.315 ppm2      7.855 CV     1
  ASSI { 3390}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 65   and name HA  ))
       2.900     1.100     1.700 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      1.966 ppm2      4.341 CV     1
  ASSI { 3394}
    (( segid "    " and resid 65   and name HB1 ))
    (  segid "    " and resid 65   and name HD1%)
       2.100     0.300     0.900 peak  3394 spectrum    1 weight  0.10000E+01 volume  0.77069E-02 ppm1      1.961 ppm2      1.005 CV     1
  OR { 3394}
    (( segid "    " and resid 65   and name HB1 ))
    (  segid "    " and resid 65   and name HD2%)
  ASSI { 3397}
    (( segid "    " and resid 65   and name HB1 ))
    (  segid "    " and resid 55   and name HD2%)
       1.800     0.000     4.200 peak  3397 spectrum    1 weight  0.10000E+01 volume  0.14885E-02 ppm1      1.967 ppm2      0.159 CV     1
  ASSI { 3399}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 65   and name HN  ))
       2.900     1.100     1.600 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      1.967 ppm2      7.837 CV     1
  ASSI { 3401}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 46   and name HE22))
       4.600     2.800     1.400 peak  3401 spectrum    1 weight  0.10000E+01 volume  0.15997E-03 ppm1      1.969 ppm2      6.893 CV     1
  ASSI { 3406}
    (( segid "    " and resid 65   and name HB2 ))
    (  segid "    " and resid 65   and name HD2%)
       3.000     1.200     1.800 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.46601E-02 ppm1      2.016 ppm2      1.015 CV     1
  ASSI { 3408}
    (( segid "    " and resid 65   and name HB2 ))
    (  segid "    " and resid 55   and name HD2%)
       2.200     0.400     3.800 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.32273E-03 ppm1      2.015 ppm2      0.158 CV     1
  ASSI { 3417}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 53   and name HE1 ))
       3.600     1.800     2.400 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.61628E-03 ppm1      0.970 ppm2      3.025 CV     1
  ASSI { 3420}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 65   and name HB1 ))
       2.500     0.700     1.300 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.31300E-02 ppm1      0.966 ppm2      1.964 CV     1
  ASSI { 3425}
    (  segid "    " and resid 65   and name HD1%)
    (  segid "    " and resid 55   and name HD2%)
       1.800     0.000     4.200 peak  3425 spectrum    1 weight  0.10000E+01 volume  0.18919E-02 ppm1      0.966 ppm2      0.162 CV     1
  ASSI { 3429}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 65   and name HN  ))
       4.600     2.800     1.400 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.54948E-03 ppm1      0.967 ppm2      7.851 CV     1
  ASSI { 3431}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 68   and name HE21))
       5.000     3.200     1.000 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.46601E-03 ppm1      0.972 ppm2      7.604 CV     1
  ASSI { 3438}
    (( segid "    " and resid 65   and name HG  ))
    (  segid "    " and resid 55   and name HD2%)
       2.200     0.400     3.800 peak  3438 spectrum    1 weight  0.10000E+01 volume  0.38394E-03 ppm1      1.916 ppm2      0.177 CV     1
  ASSI {  902}
    (( segid "    " and resid 66   and name HN  ))
    (  segid "    " and resid 55   and name HD2%)
       2.800     1.000     3.200 peak   902 spectrum    1 weight  0.10000E+01 volume  0.78875E-04 ppm1      8.288 ppm2      0.173 CV     1
  ASSI {  913}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 65   and name HN  ))
       3.200     1.400     2.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.59817E-03 ppm1      8.288 ppm2      7.861 CV     1
  ASSI { 3440}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 68   and name HG1 ))
       2.300     0.500     1.000 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.87082E-02 ppm1      4.128 ppm2      2.517 CV     1
  ASSI { 3441}
    (( segid "    " and resid 68   and name HA  ))
    (  segid "    " and resid 71   and name HG1%)
       2.700     0.900     3.300 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.10544E-01 ppm1      4.126 ppm2      1.086 CV     1
  ASSI { 3447}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 42   and name HE1 ))
       4.400     2.600     1.600 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.81518E-03 ppm1      1.026 ppm2      9.595 CV     1
  ASSI {  917}
    (( segid "    " and resid 67   and name HN  ))
    (  segid "    " and resid 65   and name HD2%)
       2.900     1.100     1.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.24483E-02 ppm1      8.282 ppm2      1.021 CV     1
  ASSI {  922}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 68   and name HN  ))
       2.300     0.500     1.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.45349E-02 ppm1      8.282 ppm2      8.035 CV     1
  ASSI { 3458}
    (( segid "    " and resid 67   and name HG1 ))
    (( segid "    " and resid 67   and name HA  ))
       3.600     1.800     2.400 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.56755E-03 ppm1      2.176 ppm2      4.012 CV     1
  ASSI { 3460}
    (( segid "    " and resid 67   and name HG1 ))
    (  segid "    " and resid 71   and name HG2%)
       4.000     2.200     2.000 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.15997E-03 ppm1      2.189 ppm2      1.159 CV     1
  ASSI { 3462}
    (( segid "    " and resid 67   and name HG1 ))
    (( segid "    " and resid 64   and name HA  ))
       6.000     4.200     0.000 peak  3462 spectrum    1 weight  0.10000E+01 volume  0.11921E-03 ppm1      2.189 ppm2      4.248 CV     1
  ASSI { 3464}
    (( segid "    " and resid 67   and name HG1 ))
    (( segid "    " and resid 68   and name HN  ))
       4.900     3.100     1.100 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.14745E-03 ppm1      2.191 ppm2      8.056 CV     1
  ASSI { 3465}
    (( segid "    " and resid 67   and name HG2 ))
    (( segid "    " and resid 67   and name HA  ))
       3.900     2.100     2.100 peak  3465 spectrum    1 weight  0.10000E+01 volume  0.12186E-02 ppm1      2.305 ppm2      4.027 CV     1
  ASSI { 3466}
    (( segid "    " and resid 67   and name HG2 ))
    (( segid "    " and resid 64   and name HA  ))
       4.100     2.300     1.900 peak  3466 spectrum    1 weight  0.10000E+01 volume  0.71783E-03 ppm1      2.326 ppm2      4.211 CV     1
  ASSI { 3472}
    (( segid "    " and resid 67   and name HG2 ))
    (( segid "    " and resid 68   and name HN  ))
       5.000     3.200     1.000 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.43541E-03 ppm1      2.304 ppm2      8.072 CV     1
  ASSI {  925}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 68   and name HG1 ))
       2.000     0.200     0.800 peak   925 spectrum    1 weight  0.10000E+01 volume  0.50497E-02 ppm1      8.041 ppm2      2.518 CV     1
  ASSI {  930}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 68   and name HE21))
       5.000     3.200     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.14328E-03 ppm1      8.035 ppm2      7.638 CV     1
  ASSI { 3473}
    (( segid "    " and resid 68   and name HB1 ))
    (( segid "    " and resid 65   and name HA  ))
       3.600     1.800     2.400 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.28517E-02 ppm1      2.457 ppm2      4.291 CV     1
  ASSI { 3476}
    (( segid "    " and resid 68   and name HB1 ))
    (  segid "    " and resid 65   and name HD1%)
       4.500     2.700     1.500 peak  3476 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      2.453 ppm2      1.006 CV     1
  OR { 3476}
    (( segid "    " and resid 68   and name HB1 ))
    (  segid "    " and resid 65   and name HD2%)
  ASSI { 3477}
    (( segid "    " and resid 68   and name HB1 ))
    (( segid "    " and resid 69   and name HN  ))
       3.000     1.200     1.900 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      2.457 ppm2      8.362 CV     1
  ASSI { 3478}
    (( segid "    " and resid 68   and name HB1 ))
    (( segid "    " and resid 68   and name HN  ))
       3.600     1.800     2.400 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      2.459 ppm2      8.065 CV     1
  ASSI { 3484}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 69   and name HN  ))
       2.200     0.400     3.800 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      2.306 ppm2      8.358 CV     1
  ASSI { 3485}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 68   and name HN  ))
       2.400     0.600     3.600 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      2.305 ppm2      8.065 CV     1
  ASSI { 3486}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 68   and name HE22))
       3.500     1.700     2.500 peak  3486 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      2.312 ppm2      7.032 CV     1
  ASSI { 3488}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 82   and name HG11))
       6.000     4.200     0.000 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.10433E-03 ppm1      2.321 ppm2      1.505 CV     1
  ASSI { 3489}
    (( segid "    " and resid 68   and name HB2 ))
    (  segid "    " and resid 65   and name HD1%)
       3.100     1.300     2.900 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.31578E-02 ppm1      2.315 ppm2      0.996 CV     1
  OR { 3489}
    (( segid "    " and resid 68   and name HB2 ))
    (  segid "    " and resid 65   and name HD2%)
  ASSI { 3491}
    (( segid "    " and resid 68   and name HG1 ))
    (( segid "    " and resid 68   and name HE22))
       5.000     3.200     1.000 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.14050E-03 ppm1      2.516 ppm2      7.048 CV     1
  ASSI { 3492}
    (( segid "    " and resid 68   and name HG1 ))
    (( segid "    " and resid 68   and name HE21))
       2.700     0.900     1.400 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      2.509 ppm2      7.655 CV     1
  ASSI {  933}
    (( segid "    " and resid 69   and name HN  ))
    (  segid "    " and resid 65   and name HD1%)
       3.900     2.100     2.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.18224E-02 ppm1      8.373 ppm2      0.991 CV     1
  ASSI {  934}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 69   and name HG2 ))
       3.000     1.200     1.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.31995E-02 ppm1      8.375 ppm2      2.589 CV     1
  ASSI {  937}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 42   and name HZ2 ))
       5.200     3.400     0.800 peak   937 spectrum    1 weight  0.10000E+01 volume  0.48410E-03 ppm1      8.373 ppm2      6.856 CV     1
  ASSI { 3495}
    (( segid "    " and resid 69   and name HA  ))
    (  segid "    " and resid 82   and name HG2%)
       3.000     1.200     1.800 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.34499E-02 ppm1      4.147 ppm2      0.946 CV     1
  ASSI { 3498}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 42   and name HZ2 ))
       3.700     1.900     2.300 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.32134E-03 ppm1      2.407 ppm2      6.870 CV     1
  ASSI { 3499}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 69   and name HN  ))
       2.900     1.100     1.700 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.61068E-03 ppm1      2.402 ppm2      8.377 CV     1
  ASSI { 3500}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 70   and name HN  ))
       2.900     1.100     1.700 peak  3500 spectrum    1 weight  0.10000E+01 volume  0.90563E-03 ppm1      2.409 ppm2      8.533 CV     1
  ASSI { 3505}
    (( segid "    " and resid 69   and name HG1 ))
    (( segid "    " and resid 69   and name HN  ))
       2.500     0.700     1.300 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.10502E-02 ppm1      2.337 ppm2      8.392 CV     1
  ASSI { 3506}
    (( segid "    " and resid 69   and name HG1 ))
    (( segid "    " and resid 42   and name HZ2 ))
       4.200     2.400     1.800 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.84858E-03 ppm1      2.336 ppm2      6.845 CV     1
  ASSI { 3510}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 82   and name HB  ))
       5.300     3.500     0.700 peak  3510 spectrum    1 weight  0.10000E+01 volume  0.21006E-03 ppm1      2.614 ppm2      1.869 CV     1
  ASSI {  940}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 74   and name HB1 ))
       5.500     3.700     0.500 peak   940 spectrum    1 weight  0.10000E+01 volume  0.23927E-03 ppm1      8.550 ppm2      0.445 CV     1
  ASSI {  948}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 71   and name HA  ))
       6.000     4.200     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.34499E-04 ppm1      8.552 ppm2      3.740 CV     1
  ASSI {  951}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 42   and name HZ2 ))
       4.800     3.000     1.200 peak   951 spectrum    1 weight  0.10000E+01 volume  0.23927E-03 ppm1      8.550 ppm2      6.850 CV     1
  ASSI {  955}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 42   and name HE1 ))
       6.000     4.200     0.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.34221E-04 ppm1      8.550 ppm2      9.570 CV     1
  ASSI { 3515}
    (( segid "    " and resid 70   and name HG1 ))
    (  segid "    " and resid 70   and name HE% )
       3.100     1.300     1.900 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.48410E-02 ppm1      2.197 ppm2      1.430 CV     1
  ASSI { 3516}
    (( segid "    " and resid 70   and name HG1 ))
    (( segid "    " and resid 70   and name HN  ))
       2.600     0.800     1.400 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.12130E-02 ppm1      2.203 ppm2      8.565 CV     1
  ASSI {  959}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 71   and name HA  ))
       3.200     1.400     2.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.48271E-03 ppm1      8.030 ppm2      3.734 CV     1
  ASSI { 3518}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 75   and name HB2 ))
       3.300     1.500     2.100 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.41038E-03 ppm1      3.743 ppm2      3.375 CV     1
  ASSI { 3519}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 75   and name HB1 ))
       2.600     0.800     1.300 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.61906E-03 ppm1      3.745 ppm2      3.122 CV     1
  ASSI { 3521}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 71   and name HB  ))
       2.900     1.100     1.700 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.12534E-02 ppm1      3.743 ppm2      2.222 CV     1
  ASSI { 3523}
    (( segid "    " and resid 71   and name HA  ))
    (  segid "    " and resid 71   and name HG2%)
       2.300     0.500     1.100 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.50358E-02 ppm1      3.731 ppm2      1.149 CV     1
  ASSI { 3524}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 74   and name HB1 ))
       3.800     2.000     2.200 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.13104E-02 ppm1      3.734 ppm2      0.455 CV     1
  ASSI { 3525}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 74   and name HN  ))
       3.700     1.900     2.300 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.94870E-03 ppm1      3.740 ppm2      8.504 CV     1
  ASSI { 3535}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 71   and name HA  ))
       3.200     1.400     2.000 peak  3535 spectrum    1 weight  0.10000E+01 volume  0.66909E-03 ppm1      1.076 ppm2      3.735 CV     1
  ASSI { 3536}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 75   and name HB2 ))
       4.300     2.500     1.700 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.31021E-03 ppm1      1.078 ppm2      3.419 CV     1
  ASSI { 3539}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 71   and name HB  ))
       2.700     0.900     1.400 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.17667E-02 ppm1      1.076 ppm2      2.254 CV     1
  ASSI { 3553}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 71   and name HB  ))
       2.600     0.800     1.300 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.23092E-02 ppm1      1.179 ppm2      2.228 CV     1
  ASSI { 3559}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 74   and name HB1 ))
       4.100     2.300     1.900 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.11755E-02 ppm1      1.176 ppm2      0.463 CV     1
  ASSI {  963}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 74   and name HB1 ))
       6.000     4.200     0.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.85554E-04 ppm1      8.173 ppm2      0.480 CV     1
  ASSI {  971}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 71   and name HA  ))
       3.100     1.300     1.900 peak   971 spectrum    1 weight  0.10000E+01 volume  0.76928E-03 ppm1      8.170 ppm2      3.728 CV     1
  ASSI {  973}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 76   and name HA  ))
       3.900     2.100     2.100 peak   973 spectrum    1 weight  0.10000E+01 volume  0.88610E-03 ppm1      8.174 ppm2      4.581 CV     1
  ASSI {  978}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 69   and name HN  ))
       2.400     0.600     3.600 peak   978 spectrum    1 weight  0.10000E+01 volume  0.95431E-02 ppm1      8.172 ppm2      8.387 CV     1
  ASSI { 3565}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 76   and name HA  ))
       2.900     1.100     1.700 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.10934E-02 ppm1      4.233 ppm2      4.564 CV     1
  ASSI { 3566}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 78   and name HA  ))
       2.100     0.300     3.900 peak  3566 spectrum    1 weight  0.10000E+01 volume  0.80686E-01 ppm1      4.232 ppm2      4.426 CV     1
  ASSI { 3567}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HB1 ))
       1.800     0.000     4.200 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.69139E-01 ppm1      4.233 ppm2      4.051 CV     1
  ASSI { 3573}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 78   and name HD1 ))
       3.400     1.600     2.300 peak  3573 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      4.240 ppm2      1.743 CV     1
  ASSI { 3575}
    (( segid "    " and resid 72   and name HA  ))
    (  segid "    " and resid 71   and name HG1%)
       3.000     1.200     1.800 peak  3575 spectrum    1 weight  0.10000E+01 volume  0.36864E-02 ppm1      4.228 ppm2      1.109 CV     1
  ASSI { 3576}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 77   and name HN  ))
       2.900     1.100     1.700 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.10322E-02 ppm1      4.230 ppm2      8.743 CV     1
  ASSI { 3578}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 76   and name HN  ))
       3.100     1.300     1.900 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.74562E-03 ppm1      4.234 ppm2      7.676 CV     1
  ASSI { 3580}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 78   and name HD1 ))
       3.300     1.500     2.100 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.13730E-02 ppm1      4.057 ppm2      1.702 CV     1
  ASSI { 3582}
    (( segid "    " and resid 72   and name HB1 ))
    (  segid "    " and resid 71   and name HG1%)
       3.800     2.000     2.200 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.30048E-02 ppm1      4.064 ppm2      1.097 CV     1
  ASSI { 3585}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 73   and name HN  ))
       2.200     0.400     1.000 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.23510E-02 ppm1      4.055 ppm2      8.329 CV     1
  ASSI { 3586}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 72   and name HN  ))
       2.000     0.200     0.800 peak  3586 spectrum    1 weight  0.10000E+01 volume  0.49940E-02 ppm1      4.053 ppm2      8.180 CV     1
  ASSI {  980}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 74   and name HB1 ))
       5.900     4.100     0.100 peak   980 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      8.306 ppm2      0.465 CV     1
  ASSI {  981}
    (( segid "    " and resid 73   and name HN  ))
    (  segid "    " and resid 74   and name HD1%)
       3.800     2.000     2.200 peak   981 spectrum    1 weight  0.10000E+01 volume  0.22675E-02 ppm1      8.302 ppm2      0.791 CV     1
  ASSI {  982}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 73   and name HB2 ))
       2.600     0.800     1.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.13438E-02 ppm1      8.305 ppm2      3.356 CV     1
  ASSI {  983}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 73   and name HB1 ))
       3.900     2.100     2.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.12367E-02 ppm1      8.309 ppm2      3.036 CV     1
  ASSI {  984}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 73   and name HA  ))
       2.700     0.900     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.26709E-02 ppm1      8.303 ppm2      4.356 CV     1
  ASSI { 3588}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 73   and name HB2 ))
       3.100     1.300     1.900 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.21423E-02 ppm1      4.354 ppm2      3.383 CV     1
  ASSI { 3589}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 73   and name HB1 ))
       2.400     0.600     1.100 peak  3589 spectrum    1 weight  0.10000E+01 volume  0.43820E-02 ppm1      4.362 ppm2      3.077 CV     1
  ASSI { 3594}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 74   and name HN  ))
       3.200     1.400     2.100 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      4.353 ppm2      8.491 CV     1
  ASSI {  990}
    (( segid "    " and resid 74   and name HN  ))
    (  segid "    " and resid 30   and name HG2%)
       4.300     2.500     1.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      8.477 ppm2      0.730 CV     1
  ASSI {  999}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 75   and name HA  ))
       6.000     4.200     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.90422E-04 ppm1      8.483 ppm2      4.993 CV     1
  ASSI { 3605}
    (( segid "    " and resid 74   and name HB1 ))
    (( segid "    " and resid 74   and name HN  ))
       4.800     3.000     1.200 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      0.478 ppm2      8.494 CV     1
  ASSI { 3606}
    (( segid "    " and resid 74   and name HB1 ))
    (( segid "    " and resid 75   and name HN  ))
       4.800     3.000     1.200 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.99048E-04 ppm1      0.482 ppm2      8.057 CV     1
  ASSI { 3610}
    (( segid "    " and resid 74   and name HB2 ))
    (  segid "    " and resid 30   and name HG2%)
       3.600     1.800     2.400 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.71500E-03 ppm1      1.341 ppm2      0.747 CV     1
  ASSI { 3612}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 74   and name HN  ))
       3.100     1.300     1.900 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.35473E-03 ppm1      1.342 ppm2      8.510 CV     1
  ASSI { 3614}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 75   and name HA  ))
       2.200     0.400     3.800 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.31578E-03 ppm1      0.803 ppm2      4.975 CV     1
  ASSI { 3617}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 30   and name HA  ))
       2.200     0.400     3.800 peak  3617 spectrum    1 weight  0.10000E+01 volume  0.32273E-03 ppm1      0.801 ppm2      3.786 CV     1
  ASSI { 3620}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 42   and name HB1 ))
       3.300     1.500     2.200 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.71918E-03 ppm1      0.800 ppm2      2.857 CV     1
  ASSI { 3622}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 74   and name HG  ))
       2.200     0.400     1.000 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.41733E-02 ppm1      0.801 ppm2      1.745 CV     1
  ASSI { 3623}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 74   and name HB2 ))
       2.200     0.400     0.900 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.59398E-02 ppm1      0.799 ppm2      1.328 CV     1
  ASSI { 3625}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 74   and name HB1 ))
       2.700     0.900     1.500 peak  3625 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      0.798 ppm2      0.503 CV     1
  ASSI { 3626}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 74   and name HN  ))
       4.300     2.500     1.700 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.62319E-03 ppm1      0.800 ppm2      8.498 CV     1
  ASSI { 3627}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 75   and name HN  ))
       2.000     0.200     4.000 peak  3627 spectrum    1 weight  0.10000E+01 volume  0.59262E-03 ppm1      0.804 ppm2      8.076 CV     1
  ASSI { 3628}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 39   and name HE3 ))
       2.900     1.100     1.700 peak  3628 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      0.799 ppm2      7.370 CV     1
  ASSI { 3630}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 75   and name HA  ))
       3.000     1.200     3.000 peak  3630 spectrum    1 weight  0.10000E+01 volume  0.56200E-04 ppm1      0.661 ppm2      4.976 CV     1
  ASSI { 3633}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 38   and name HA  ))
       2.300     0.500     3.700 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.27683E-03 ppm1      0.660 ppm2      3.859 CV     1
  ASSI { 3636}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 42   and name HB1 ))
       2.800     1.000     1.500 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      0.660 ppm2      2.879 CV     1
  ASSI { 3638}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 74   and name HG  ))
       2.700     0.900     1.500 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      0.661 ppm2      1.752 CV     1
  ASSI { 3643}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 74   and name HN  ))
       4.300     2.500     1.700 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.44793E-03 ppm1      0.662 ppm2      8.481 CV     1
  ASSI { 3644}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 42   and name HN  ))
       4.500     2.700     1.500 peak  3644 spectrum    1 weight  0.10000E+01 volume  0.22814E-03 ppm1      0.663 ppm2      8.147 CV     1
  ASSI { 3645}
    (  segid "    " and resid 74   and name HD2%)
    (  segid "    " and resid 9    and name HD% )
       2.800     1.000     3.200 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.19893E-02 ppm1      0.660 ppm2      7.055 CV     1
  ASSI { 3648}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 42   and name HD1 ))
       3.300     1.500     2.200 peak  3648 spectrum    1 weight  0.10000E+01 volume  0.20171E-02 ppm1      0.661 ppm2      7.265 CV     1
  ASSI { 1005}
    (( segid "    " and resid 75   and name HN  ))
    (  segid "    " and resid 30   and name HG2%)
       3.600     1.800     2.400 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.86805E-03 ppm1      8.045 ppm2      0.743 CV     1
  ASSI { 1006}
    (( segid "    " and resid 75   and name HN  ))
    (  segid "    " and resid 71   and name HG1%)
       4.600     2.800     1.400 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.79429E-03 ppm1      8.045 ppm2      1.096 CV     1
  ASSI { 1007}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 74   and name HB2 ))
       2.700     0.900     1.400 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.88752E-03 ppm1      8.045 ppm2      1.371 CV     1
  ASSI { 1010}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 75   and name HB1 ))
       3.000     1.200     1.800 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.66909E-03 ppm1      8.044 ppm2      3.088 CV     1
  ASSI { 1012}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 71   and name HA  ))
       3.600     1.800     2.400 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.40620E-03 ppm1      8.045 ppm2      3.733 CV     1
  ASSI { 1014}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 76   and name HA  ))
       5.200     3.400     0.800 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.34221E-03 ppm1      8.045 ppm2      4.546 CV     1
  ASSI { 1015}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 75   and name HA  ))
       3.700     1.900     2.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.36586E-03 ppm1      8.045 ppm2      4.979 CV     1
  ASSI { 1017}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 76   and name HN  ))
       2.900     1.100     1.700 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.91118E-03 ppm1      8.045 ppm2      7.642 CV     1
  ASSI { 1019}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 74   and name HN  ))
       3.300     1.500     2.200 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.43680E-03 ppm1      8.045 ppm2      8.472 CV     1
  ASSI { 1020}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 77   and name HN  ))
       5.500     3.700     0.500 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.17945E-03 ppm1      8.045 ppm2      8.747 CV     1
  ASSI { 3651}
    (( segid "    " and resid 75   and name HA  ))
    (  segid "    " and resid 75   and name HE% )
       4.300     2.500     1.700 peak  3651 spectrum    1 weight  0.10000E+01 volume  0.53557E-03 ppm1      4.962 ppm2      7.366 CV     1
  ASSI { 1022}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 74   and name HB1 ))
       2.900     1.100     3.100 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.65522E-04 ppm1      7.652 ppm2      0.478 CV     1
  ASSI { 1024}
    (( segid "    " and resid 76   and name HN  ))
    (  segid "    " and resid 71   and name HG1%)
       4.600     2.800     1.400 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.45072E-03 ppm1      7.654 ppm2      1.078 CV     1
  ASSI { 1025}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 78   and name HG2 ))
       4.200     2.400     1.800 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.51749E-03 ppm1      7.653 ppm2      1.391 CV     1
  ASSI { 1026}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 78   and name HD1 ))
       4.800     3.000     1.200 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.25457E-03 ppm1      7.653 ppm2      1.748 CV     1
  ASSI { 1027}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 76   and name HB2 ))
       2.900     1.100     1.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      7.654 ppm2      2.323 CV     1
  OR { 1027}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 76   and name HG1 ))
  ASSI { 1028}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 75   and name HB1 ))
       3.200     1.400     2.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.42567E-03 ppm1      7.654 ppm2      3.083 CV     1
  ASSI { 1029}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 75   and name HB2 ))
       4.800     3.000     1.200 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.28656E-03 ppm1      7.654 ppm2      3.398 CV     1
  ASSI { 1030}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 71   and name HA  ))
       5.600     3.800     0.400 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.98906E-04 ppm1      7.652 ppm2      3.740 CV     1
  ASSI { 1034}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 75   and name HA  ))
       4.600     2.800     1.400 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.16415E-03 ppm1      7.654 ppm2      4.979 CV     1
  ASSI { 1039}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 74   and name HN  ))
       3.700     1.900     2.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.58289E-03 ppm1      7.653 ppm2      8.487 CV     1
  ASSI { 3652}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 78   and name HG1 ))
       3.400     1.600     2.300 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.36864E-02 ppm1      4.567 ppm2      1.464 CV     1
  ASSI { 3653}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 77   and name HA1 ))
       3.800     2.000     2.200 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.11880E-02 ppm1      4.569 ppm2      3.987 CV     1
  ASSI { 3657}
    (( segid "    " and resid 76   and name HB2 ))
    (( segid "    " and resid 76   and name HA  ))
       2.600     0.800     1.300 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.19476E-02 ppm1      2.307 ppm2      4.559 CV     1
  ASSI { 3658}
    (( segid "    " and resid 76   and name HB2 ))
    (( segid "    " and resid 72   and name HA  ))
       2.900     1.100     3.100 peak  3658 spectrum    1 weight  0.10000E+01 volume  0.48828E-02 ppm1      2.311 ppm2      4.243 CV     1
  ASSI { 3659}
    (( segid "    " and resid 76   and name HB2 ))
    (( segid "    " and resid 77   and name HN  ))
       3.800     2.000     2.200 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      2.306 ppm2      8.725 CV     1
  ASSI { 3660}
    (( segid "    " and resid 76   and name HB2 ))
    (( segid "    " and resid 76   and name HN  ))
       3.000     1.200     1.800 peak  3660 spectrum    1 weight  0.10000E+01 volume  0.11490E-02 ppm1      2.307 ppm2      7.673 CV     1
  ASSI { 3661}
    (( segid "    " and resid 76   and name HG1 ))
    (( segid "    " and resid 76   and name HA  ))
       4.100     2.300     1.900 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.97791E-03 ppm1      2.307 ppm2      4.560 CV     1
  ASSI { 3663}
    (( segid "    " and resid 76   and name HG1 ))
    (( segid "    " and resid 72   and name HA  ))
       3.800     2.000     2.200 peak  3663 spectrum    1 weight  0.10000E+01 volume  0.27266E-02 ppm1      2.309 ppm2      4.236 CV     1
  ASSI { 3665}
    (( segid "    " and resid 76   and name HG1 ))
    (( segid "    " and resid 76   and name HN  ))
       5.100     3.300     0.900 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.65104E-03 ppm1      2.306 ppm2      7.674 CV     1
  ASSI { 3666}
    (( segid "    " and resid 76   and name HG1 ))
    (( segid "    " and resid 77   and name HN  ))
       4.300     2.500     1.700 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      2.306 ppm2      8.726 CV     1
  ASSI { 3667}
    (( segid "    " and resid 76   and name HG1 ))
    (( segid "    " and resid 78   and name HN  ))
       5.500     3.700     0.500 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.73033E-03 ppm1      2.309 ppm2      8.107 CV     1
  ASSI { 1042}
    (( segid "    " and resid 77   and name HN  ))
    (  segid "    " and resid 71   and name HG1%)
       4.500     2.700     1.500 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.26709E-03 ppm1      8.751 ppm2      1.076 CV     1
  ASSI { 1043}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 78   and name HG2 ))
       5.300     3.500     0.700 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.20588E-03 ppm1      8.754 ppm2      1.446 CV     1
  ASSI { 1044}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 78   and name HB1 ))
       4.400     2.600     1.600 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.44654E-03 ppm1      8.753 ppm2      1.819 CV     1
  ASSI { 1048}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 77   and name HA1 ))
       2.600     0.800     1.300 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.33665E-02 ppm1      8.751 ppm2      4.003 CV     1
  ASSI { 1051}
    (( segid "    " and resid 77   and name HN  ))
    (  segid "    " and resid 75   and name HE% )
       5.500     3.700     0.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.52305E-04 ppm1      8.754 ppm2      7.344 CV     1
  ASSI { 1052}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 76   and name HN  ))
       3.700     1.900     2.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.42567E-03 ppm1      8.750 ppm2      7.649 CV     1
  ASSI { 3670}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 78   and name HG1 ))
       5.600     3.800     0.400 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.33108E-03 ppm1      4.024 ppm2      1.464 CV     1
  ASSI { 3671}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 78   and name HB1 ))
       4.700     2.900     1.300 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.35612E-03 ppm1      4.021 ppm2      1.797 CV     1
  ASSI { 3678}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 76   and name HN  ))
       4.800     3.000     1.200 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.26987E-03 ppm1      4.005 ppm2      7.671 CV     1
  ASSI { 1056}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 78   and name HB1 ))
       2.400     0.600     1.100 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.33665E-02 ppm1      8.095 ppm2      1.850 CV     1
  ASSI { 1058}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 78   and name HE1 ))
       4.800     3.000     1.200 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.87501E-03 ppm1      8.097 ppm2      3.046 CV     1
  ASSI { 1060}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 77   and name HA1 ))
       3.000     1.200     1.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.26848E-02 ppm1      8.097 ppm2      4.011 CV     1
  ASSI { 1061}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 78   and name HA  ))
       2.400     0.600     1.100 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.31578E-02 ppm1      8.095 ppm2      4.444 CV     1
  ASSI { 1063}
    (( segid "    " and resid 78   and name HN  ))
    (  segid "    " and resid 75   and name HE% )
       1.800     0.000     4.200 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.65658E-02 ppm1      8.094 ppm2      7.397 CV     1
  ASSI { 1064}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 76   and name HN  ))
       5.200     3.400     0.800 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.25735E-03 ppm1      8.095 ppm2      7.643 CV     1
  ASSI { 1066}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 79   and name HN  ))
       3.500     1.700     2.500 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.14885E-02 ppm1      8.094 ppm2      8.571 CV     1
  ASSI { 3682}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 78   and name HE1 ))
       5.200     3.400     0.800 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.61487E-03 ppm1      4.439 ppm2      3.023 CV     1
  ASSI { 3685}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 78   and name HG2 ))
       3.200     1.400     2.000 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.32830E-02 ppm1      4.437 ppm2      1.445 CV     1
  ASSI { 3692}
    (( segid "    " and resid 78   and name HB1 ))
    (( segid "    " and resid 78   and name HA  ))
       2.400     0.600     1.200 peak  3692 spectrum    1 weight  0.10000E+01 volume  0.21423E-02 ppm1      1.813 ppm2      4.435 CV     1
  ASSI { 3693}
    (( segid "    " and resid 78   and name HB1 ))
    (( segid "    " and resid 72   and name HB1 ))
       4.200     2.400     1.800 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.10030E-02 ppm1      1.811 ppm2      4.040 CV     1
  ASSI { 3694}
    (( segid "    " and resid 78   and name HB1 ))
    (( segid "    " and resid 71   and name HB  ))
       2.800     1.000     1.600 peak  3694 spectrum    1 weight  0.10000E+01 volume  0.47714E-03 ppm1      1.808 ppm2      2.278 CV     1
  ASSI { 3699}
    (( segid "    " and resid 78   and name HB1 ))
    (( segid "    " and resid 79   and name HN  ))
       4.000     2.200     2.000 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.66354E-03 ppm1      1.809 ppm2      8.589 CV     1
  ASSI { 3702}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 78   and name HA  ))
       2.500     0.700     1.200 peak  3702 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      1.897 ppm2      4.442 CV     1
  ASSI { 3707}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 79   and name HN  ))
       2.500     0.700     1.200 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.12297E-02 ppm1      1.892 ppm2      8.592 CV     1
  ASSI { 3711}
    (( segid "    " and resid 78   and name HD1 ))
    (( segid "    " and resid 78   and name HA  ))
       4.200     2.400     1.800 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.21701E-02 ppm1      1.708 ppm2      4.432 CV     1
  ASSI { 3713}
    (( segid "    " and resid 78   and name HD1 ))
    (( segid "    " and resid 78   and name HE1 ))
       1.900     0.100     0.700 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.80403E-02 ppm1      1.708 ppm2      3.047 CV     1
  ASSI { 3716}
    (( segid "    " and resid 78   and name HD1 ))
    (( segid "    " and resid 79   and name HN  ))
       3.700     1.900     2.300 peak  3716 spectrum    1 weight  0.10000E+01 volume  0.31717E-02 ppm1      1.710 ppm2      8.541 CV     1
  ASSI { 1070}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 79   and name HA  ))
       2.500     0.700     1.300 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.30326E-02 ppm1      8.564 ppm2      4.639 CV     1
  ASSI { 1071}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 78   and name HA  ))
       2.200     0.400     1.000 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.46324E-02 ppm1      8.565 ppm2      4.447 CV     1
  ASSI { 3723}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 78   and name HE1 ))
       3.000     1.200     1.800 peak  3723 spectrum    1 weight  0.10000E+01 volume  0.41733E-02 ppm1      4.649 ppm2      3.078 CV     1
  ASSI { 3727}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 78   and name HB2 ))
       3.100     1.300     1.900 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.35334E-02 ppm1      4.656 ppm2      1.903 CV     1
  ASSI { 1076}
    (( segid "    " and resid 80   and name HN  ))
    (  segid "    " and resid 80   and name HG1%)
       2.600     0.800     1.400 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.26152E-02 ppm1      8.123 ppm2      0.851 CV     1
  ASSI { 1077}
    (( segid "    " and resid 80   and name HN  ))
    (( segid "    " and resid 80   and name HB  ))
       2.800     1.000     1.600 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.53001E-02 ppm1      8.118 ppm2      1.983 CV     1
  ASSI { 1079}
    (( segid "    " and resid 80   and name HN  ))
    (( segid "    " and resid 79   and name HA  ))
       2.700     0.900     1.400 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.38533E-02 ppm1      8.123 ppm2      4.643 CV     1
  ASSI { 3739}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 81   and name HB2 ))
       4.000     2.200     2.000 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.19336E-02 ppm1      4.097 ppm2      3.112 CV     1
  OR { 3739}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 81   and name HB1 ))
  ASSI { 3740}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 68   and name HG2 ))
       3.500     1.700     2.400 peak  3740 spectrum    1 weight  0.10000E+01 volume  0.47436E-02 ppm1      4.096 ppm2      2.667 CV     1
  ASSI { 3742}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 80   and name HB  ))
       2.300     0.500     1.000 peak  3742 spectrum    1 weight  0.10000E+01 volume  0.55783E-02 ppm1      4.093 ppm2      2.015 CV     1
  ASSI { 3743}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 85   and name HN  ))
       3.900     2.100     2.100 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.25457E-02 ppm1      4.094 ppm2      8.169 CV     1
  ASSI { 3745}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 81   and name HN  ))
       2.600     0.800     1.400 peak  3745 spectrum    1 weight  0.10000E+01 volume  0.16554E-02 ppm1      4.095 ppm2      8.668 CV     1
  ASSI { 3746}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 85   and name HA  ))
       3.200     1.400     2.100 peak  3746 spectrum    1 weight  0.10000E+01 volume  0.95567E-03 ppm1      2.016 ppm2      4.612 CV     1
  ASSI { 3748}
    (( segid "    " and resid 80   and name HB  ))
    (  segid "    " and resid 80   and name HG1%)
       2.500     0.700     1.200 peak  3748 spectrum    1 weight  0.10000E+01 volume  0.42846E-02 ppm1      2.019 ppm2      0.866 CV     1
  ASSI { 1082}
    (( segid "    " and resid 81   and name HN  ))
    (  segid "    " and resid 80   and name HG1%)
       4.600     2.800     1.400 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.79294E-03 ppm1      8.664 ppm2      0.856 CV     1
  ASSI { 1084}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 82   and name HG11))
       5.800     4.000     0.200 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.13522E-03 ppm1      8.663 ppm2      1.449 CV     1
  ASSI { 1085}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 80   and name HB  ))
       3.900     2.100     2.100 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.43680E-03 ppm1      8.663 ppm2      1.997 CV     1
  ASSI { 1087}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 81   and name HB1 ))
       3.000     1.200     1.800 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.10252E-02 ppm1      8.664 ppm2      3.098 CV     1
  ASSI { 1092}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 85   and name HN  ))
       4.100     2.300     1.900 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.63988E-03 ppm1      8.660 ppm2      8.177 CV     1
  ASSI { 3751}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 82   and name HB  ))
       3.900     2.100     2.100 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      4.710 ppm2      1.841 CV     1
  ASSI { 3752}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 82   and name HG11))
       3.500     1.700     2.500 peak  3752 spectrum    1 weight  0.10000E+01 volume  0.18641E-02 ppm1      4.710 ppm2      1.489 CV     1
  ASSI { 3753}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 81   and name HN  ))
       3.300     1.500     2.100 peak  3753 spectrum    1 weight  0.10000E+01 volume  0.74981E-03 ppm1      4.712 ppm2      8.671 CV     1
  ASSI { 3754}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 82   and name HN  ))
       2.400     0.600     1.100 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.26292E-02 ppm1      4.712 ppm2      8.257 CV     1
  ASSI { 3756}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 81   and name HA  ))
       2.600     0.800     1.400 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      3.155 ppm2      4.710 CV     1
  ASSI { 3758}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 81   and name HN  ))
       3.100     1.300     1.900 peak  3758 spectrum    1 weight  0.10000E+01 volume  0.73588E-03 ppm1      3.153 ppm2      8.685 CV     1
  ASSI { 3759}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 86   and name HN  ))
       4.200     2.400     1.800 peak  3759 spectrum    1 weight  0.10000E+01 volume  0.46601E-03 ppm1      3.156 ppm2      8.242 CV     1
  ASSI { 3760}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 81   and name HE1 ))
       4.800     3.000     1.200 peak  3760 spectrum    1 weight  0.10000E+01 volume  0.53279E-03 ppm1      3.159 ppm2      8.001 CV     1
  ASSI { 1094}
    (( segid "    " and resid 82   and name HN  ))
    (  segid "    " and resid 82   and name HD1%)
       4.100     2.300     1.900 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.10239E-02 ppm1      8.286 ppm2      0.894 CV     1
  ASSI { 1095}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 82   and name HG12))
       3.700     1.900     2.300 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.94457E-03 ppm1      8.286 ppm2      1.162 CV     1
  ASSI { 1096}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 82   and name HG11))
       2.400     0.600     1.100 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.10433E-02 ppm1      8.287 ppm2      1.458 CV     1
  ASSI { 1097}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 82   and name HB  ))
       3.000     1.200     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.93761E-03 ppm1      8.286 ppm2      1.866 CV     1
  ASSI { 1098}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 69   and name HG1 ))
       6.000     4.200     0.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.21006E-03 ppm1      8.283 ppm2      2.350 CV     1
  OR { 1098}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 69   and name HB1 ))
  ASSI { 1105}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 84   and name HN  ))
       4.200     2.400     1.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.36169E-03 ppm1      8.286 ppm2      8.731 CV     1
  ASSI { 3769}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 82   and name HB  ))
       2.500     0.700     1.300 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.27683E-02 ppm1      0.874 ppm2      1.870 CV     1
  ASSI { 3770}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 82   and name HG11))
       2.500     0.700     1.200 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      0.873 ppm2      1.484 CV     1
  ASSI { 3771}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 82   and name HG12))
       2.600     0.800     1.300 peak  3771 spectrum    1 weight  0.10000E+01 volume  0.11185E-02 ppm1      0.873 ppm2      1.188 CV     1
  ASSI { 3777}
    (  segid "    " and resid 82   and name HD1%)
    (  segid "    " and resid 73   and name HE% )
       2.800     1.000     1.600 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      0.871 ppm2      7.306 CV     1
  ASSI { 3779}
    (( segid "    " and resid 82   and name HG12))
    (( segid "    " and resid 82   and name HA  ))
       3.000     1.200     1.800 peak  3779 spectrum    1 weight  0.10000E+01 volume  0.45072E-03 ppm1      1.178 ppm2      4.195 CV     1
  ASSI { 3783}
    (( segid "    " and resid 82   and name HG12))
    (  segid "    " and resid 82   and name HD1%)
       2.200     0.400     1.000 peak  3783 spectrum    1 weight  0.10000E+01 volume  0.28517E-02 ppm1      1.180 ppm2      0.905 CV     1
  OR { 3783}
    (( segid "    " and resid 82   and name HG12))
    (  segid "    " and resid 82   and name HG2%)
  ASSI { 3785}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 82   and name HA  ))
       2.700     0.900     1.500 peak  3785 spectrum    1 weight  0.10000E+01 volume  0.10072E-02 ppm1      0.934 ppm2      4.195 CV     1
  ASSI { 3786}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 81   and name HA  ))
       6.000     4.200     0.000 peak  3786 spectrum    1 weight  0.10000E+01 volume  0.18780E-03 ppm1      0.937 ppm2      4.728 CV     1
  ASSI { 3789}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 82   and name HB  ))
       2.400     0.600     1.200 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      0.934 ppm2      1.862 CV     1
  ASSI { 3790}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 82   and name HG11))
       3.500     1.700     2.400 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.13355E-02 ppm1      0.931 ppm2      1.493 CV     1
  ASSI { 1106}
    (( segid "    " and resid 83   and name HN  ))
    (  segid "    " and resid 82   and name HG2%)
       3.300     1.500     2.100 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.71364E-03 ppm1      8.776 ppm2      0.908 CV     1
  ASSI { 1107}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 82   and name HG12))
       4.400     2.600     1.600 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.66077E-03 ppm1      8.776 ppm2      1.143 CV     1
  ASSI { 1108}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 82   and name HG11))
       2.500     0.700     3.500 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.15441E-03 ppm1      8.777 ppm2      1.458 CV     1
  ASSI { 1111}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 81   and name HB1 ))
       5.700     3.900     0.300 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.10948E-03 ppm1      8.773 ppm2      3.078 CV     1
  ASSI { 1112}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 82   and name HA  ))
       2.200     0.400     1.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.23370E-02 ppm1      8.776 ppm2      4.195 CV     1
  ASSI { 1123}
    (( segid "    " and resid 84   and name HN  ))
    (  segid "    " and resid 82   and name HG2%)
       2.400     0.600     3.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.21562E-03 ppm1      8.747 ppm2      0.909 CV     1
  OR { 1123}
    (( segid "    " and resid 84   and name HN  ))
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 1126}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 83   and name HB1 ))
       3.300     1.500     2.200 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      8.748 ppm2      2.335 CV     1
  ASSI { 1127}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 85   and name HB1 ))
       5.600     3.800     0.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.12631E-03 ppm1      8.742 ppm2      3.021 CV     1
  ASSI { 1128}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 84   and name HA2 ))
       2.900     1.100     1.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.28100E-02 ppm1      8.746 ppm2      3.973 CV     1
  ASSI { 1130}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 85   and name HA  ))
       5.200     3.400     0.800 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.35334E-03 ppm1      8.747 ppm2      4.638 CV     1
  ASSI { 1133}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 85   and name HN  ))
       3.000     1.200     1.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.54392E-03 ppm1      8.747 ppm2      8.179 CV     1
  ASSI { 1135}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 85   and name HB1 ))
       2.800     1.000     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.38255E-02 ppm1      8.172 ppm2      3.017 CV     1
  ASSI { 1136}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 84   and name HA1 ))
       2.400     0.600     1.200 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.34777E-02 ppm1      8.171 ppm2      4.033 CV     1
  ASSI { 1143}
    (( segid "    " and resid 86   and name HN  ))
    (  segid "    " and resid 86   and name HG2%)
       3.900     2.100     2.100 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      8.269 ppm2      1.230 CV     1
  ASSI { 1144}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 85   and name HB1 ))
       3.500     1.700     2.500 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.29769E-02 ppm1      8.269 ppm2      3.019 CV     1
  ASSI { 1145}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 87   and name HD1 ))
       4.200     2.400     1.800 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.82769E-03 ppm1      8.269 ppm2      3.664 CV     1
  ASSI { 1146}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 80   and name HA  ))
       2.900     1.100     1.700 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.39507E-02 ppm1      8.269 ppm2      4.100 CV     1
  ASSI { 1147}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 85   and name HA  ))
       2.300     0.500     1.100 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.37699E-02 ppm1      8.269 ppm2      4.649 CV     1
  ASSI { 1149}
    (( segid "    " and resid 86   and name HN  ))
    (  segid "    " and resid 85   and name HE% )
       3.400     1.600     2.300 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.14885E-02 ppm1      8.269 ppm2      7.089 CV     1
  ASSI { 1151}
    (( segid "    " and resid 88   and name HN  ))
    (  segid "    " and resid 86   and name HG2%)
       4.100     2.300     1.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.66354E-03 ppm1      8.620 ppm2      1.230 CV     1
  ASSI { 1154}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 87   and name HD1 ))
       2.700     0.900     3.300 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.11170E-03 ppm1      8.624 ppm2      3.685 CV     1
  ASSI { 1155}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 87   and name HA  ))
       2.500     0.700     1.200 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.31717E-02 ppm1      8.623 ppm2      4.338 CV     1
  ASSI { 1162}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 90   and name HB1 ))
       3.300     1.500     2.200 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.33386E-02 ppm1      8.357 ppm2      1.851 CV     1
  ASSI { 1163}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 89   and name HB1 ))
       3.200     1.400     2.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.13355E-02 ppm1      8.356 ppm2      2.715 CV     1
  ASSI { 1164}
    (( segid "    " and resid 90   and name HN  ))
    (( segid "    " and resid 90   and name HA  ))
       2.300     0.500     1.100 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.40620E-02 ppm1      8.357 ppm2      4.351 CV     1

!ambiguousNOE
 ASSI { 1204}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 4    and name HN  ))
       2.600     0.800     1.300 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      4.672 ppm2      8.913 CV     1
  OR { 1204}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 3    and name HN  ))
  ASSI { 1211}
    (( segid "    " and resid 3    and name HB1 ))
    (( segid "    " and resid 3    and name HN  ))
       3.400     1.600     2.300 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.54948E-03 ppm1      1.808 ppm2      8.930 CV     1
  OR { 1211}
    (( segid "    " and resid 3    and name HB1 ))
    (( segid "    " and resid 4    and name HN  ))
  ASSI { 1213}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 3    and name HA  ))
       2.500     0.700     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.23370E-02 ppm1      1.726 ppm2      4.649 CV     1
  OR { 1213}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 15   and name HA  ))
  OR { 1213}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 14   and name HA  ))
  ASSI { 1214}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 12   and name HD1 ))
       2.800     1.000     1.600 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.35056E-02 ppm1      1.725 ppm2      3.215 CV     1
  OR { 1214}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 3    and name HD1 ))
  ASSI { 1222}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 3    and name HN  ))
       3.600     1.800     2.400 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.59121E-03 ppm1      1.725 ppm2      8.906 CV     1
  OR { 1222}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 4    and name HN  ))
  ASSI { 1238}
    (( segid "    " and resid 3    and name HG2 ))
    (( segid "    " and resid 4    and name HN  ))
       3.400     1.600     2.300 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.10169E-02 ppm1      1.476 ppm2      8.936 CV     1
  OR { 1238}
    (( segid "    " and resid 3    and name HG2 ))
    (( segid "    " and resid 3    and name HN  ))
  ASSI { 1242}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 15   and name HG1 ))
       4.900     3.100     1.100 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.26014E-03 ppm1      4.765 ppm2      2.563 CV     1
  OR { 1242}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 13   and name HB2 ))
  ASSI { 1243}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 3    and name HG2 ))
       5.300     3.500     0.700 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.50914E-04 ppm1      4.770 ppm2      1.457 CV     1
  OR { 1243}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 36   and name HD2 ))
  ASSI { 1244}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 3    and name HB1 ))
       6.000     4.200     0.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.15580E-05 ppm1      4.769 ppm2      1.834 CV     1
  OR { 1244}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 17   and name HB2 ))
  ASSI { 1251}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 4    and name HN  ))
       4.000     2.200     2.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.21701E-03 ppm1      4.765 ppm2      8.898 CV     1
  OR { 1251}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 3    and name HN  ))
  ASSI { 1262}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 15   and name HG1 ))
       3.500     1.700     2.500 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      1.192 ppm2      2.546 CV     1
  OR { 1262}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 13   and name HB2 ))
  ASSI {   16}
    (( segid "    " and resid 5    and name HN  ))
    (  segid "    " and resid 14   and name HB% )
       4.000     2.200     2.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.47019E-03 ppm1      9.103 ppm2      1.508 CV     1
  OR {   16}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 36   and name HD2 ))
  ASSI {   19}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 15   and name HG1 ))
       5.400     3.600     0.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.23649E-03 ppm1      9.102 ppm2      2.567 CV     1
  OR {   19}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 13   and name HB2 ))
  ASSI { 1278}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 5    and name HA  ))
       2.900     1.100     1.600 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      1.896 ppm2      4.788 CV     1
  OR { 1278}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 4    and name HA  ))
  ASSI { 1286}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 35   and name HA  ))
       2.900     1.100     1.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      0.639 ppm2      4.686 CV     1
  OR { 1286}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 7    and name HA  ))
  OR { 1286}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 6    and name HA  ))
  OR { 1286}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 14   and name HA  ))
  ASSI { 1287}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 36   and name HA  ))
       4.600     2.800     1.400 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.64826E-03 ppm1      0.637 ppm2      4.101 CV     1
  OR { 1287}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 8    and name HA  ))
  OR { 1287}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 17   and name HA  ))
  OR { 1287}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 39   and name HA  ))
  OR { 1287}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 74   and name HA  ))
  ASSI { 1291}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 33   and name HG1 ))
       5.400     3.600     0.600 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.20866E-03 ppm1      0.635 ppm2      2.589 CV     1
  OR { 1291}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 15   and name HG1 ))
  OR { 1291}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 17   and name HG2 ))
  OR { 1291}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 13   and name HB2 ))
  ASSI { 1292}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 17   and name HB1 ))
       5.900     4.100     0.100 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.11713E-03 ppm1      0.643 ppm2      2.331 CV     1
  OR { 1292}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 20   and name HG2 ))
  OR { 1292}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 76   and name HB2 ))
  OR { 1292}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 76   and name HG1 ))
  ASSI { 1293}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 7    and name HB2 ))
       3.300     1.500     2.100 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.59675E-03 ppm1      0.638 ppm2      2.762 CV     1
  OR { 1293}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 34   and name HB  ))
  ASSI { 1295}
    (  segid "    " and resid 5    and name HD1%)
    (  segid "    " and resid 14   and name HB% )
       3.800     2.000     2.200 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.49940E-03 ppm1      0.639 ppm2      1.506 CV     1
  OR { 1295}
    (  segid "    " and resid 5    and name HD1%)
    (  segid "    " and resid 38   and name HB% )
  OR { 1295}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 3    and name HG2 ))
  OR { 1295}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 36   and name HD2 ))
  ASSI { 1304}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 6    and name HN  ))
       3.800     2.000     2.200 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.64826E-03 ppm1      0.639 ppm2      8.413 CV     1
  OR { 1304}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 33   and name HN  ))
  ASSI { 1310}
    (( segid "    " and resid 5    and name HG11))
    (( segid "    " and resid 3    and name HG2 ))
       2.400     0.600     3.600 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.10711E-01 ppm1      0.713 ppm2      1.462 CV     1
  OR { 1310}
    (( segid "    " and resid 5    and name HG11))
    (( segid "    " and resid 36   and name HD2 ))
  ASSI { 1323}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 5    and name HA  ))
       2.800     1.000     1.500 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.24205E-02 ppm1      0.814 ppm2      4.789 CV     1
  OR { 1323}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 4    and name HA  ))
  ASSI { 1338}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 3    and name HE  ))
       3.900     2.100     2.100 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.44793E-03 ppm1      0.812 ppm2      7.179 CV     1
  OR { 1338}
    (  segid "    " and resid 5    and name HG2%)
    (  segid "    " and resid 6    and name HD% )
  ASSI {   39}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       5.100     3.300     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.15024E-03 ppm1      8.447 ppm2      9.800 CV     1
  OR {   39}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI { 1343}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 13   and name HB1 ))
       3.800     2.000     2.200 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.13605E-02 ppm1      4.652 ppm2      2.391 CV     1
  OR { 1343}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 33   and name HB1 ))
  OR { 1343}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 11   and name HB1 ))
  ASSI { 1348}
    (( segid "    " and resid 6    and name HA  ))
    (  segid "    " and resid 6    and name HE% )
       3.700     1.900     2.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.13104E-02 ppm1      4.657 ppm2      6.786 CV     1
  OR { 1348}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
  ASSI { 1349}
    (( segid "    " and resid 6    and name HB1 ))
    (( segid "    " and resid 6    and name HA  ))
       2.900     1.100     1.700 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.12339E-02 ppm1      2.975 ppm2      4.664 CV     1
  OR { 1349}
    (( segid "    " and resid 6    and name HB1 ))
    (( segid "    " and resid 7    and name HA  ))
  ASSI {   40}
    (( segid "    " and resid 7    and name HN  ))
    (  segid "    " and resid 5    and name HD1%)
       4.300     2.500     1.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.22675E-03 ppm1      7.969 ppm2      0.677 CV     1
  OR {   40}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 5    and name HG11))
  OR {   40}
    (( segid "    " and resid 7    and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
  ASSI {   42}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 10   and name HB2 ))
       4.300     2.500     1.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.40481E-03 ppm1      7.969 ppm2      1.752 CV     1
  OR {   42}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 10   and name HG  ))
  OR {   42}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI {   43}
    (( segid "    " and resid 7    and name HN  ))
    (  segid "    " and resid 14   and name HB% )
       3.900     2.100     2.100 peak    43 spectrum    1 weight  0.10000E+01 volume  0.49940E-03 ppm1      7.969 ppm2      1.530 CV     1
  OR {   43}
    (( segid "    " and resid 7    and name HN  ))
    (  segid "    " and resid 38   and name HB% )
  ASSI {   47}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 8    and name HA  ))
       5.000     3.200     1.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.16693E-03 ppm1      7.969 ppm2      4.048 CV     1
  OR {   47}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 35   and name HB1 ))
  ASSI {   48}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 6    and name HA  ))
       3.100     1.300     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.70668E-03 ppm1      7.969 ppm2      4.657 CV     1
  OR {   48}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 7    and name HA  ))
  OR {   48}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI {   53}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 11   and name HN  ))
       4.500     2.700     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.22814E-03 ppm1      7.969 ppm2      8.506 CV     1
  OR {   53}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI {   55}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       4.700     2.900     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.17806E-03 ppm1      7.972 ppm2      9.798 CV     1
  OR {   55}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI { 1356}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 8    and name HB  ))
       6.000     4.200     0.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.46045E-04 ppm1      4.684 ppm2      4.384 CV     1
  OR { 1356}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 9    and name HA  ))
  ASSI { 1358}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HB1 ))
       2.900     1.100     1.700 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.26709E-02 ppm1      4.687 ppm2      3.152 CV     1
  OR { 1358}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 7    and name HB1 ))
  ASSI { 1359}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HB2 ))
       2.800     1.000     1.500 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.12158E-02 ppm1      4.684 ppm2      2.738 CV     1
  OR { 1359}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 7    and name HB2 ))
  ASSI { 1360}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
       4.500     2.700     1.500 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.37281E-03 ppm1      4.693 ppm2      1.868 CV     1
  OR { 1360}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 34   and name HG11))
  OR { 1360}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HG11))
  OR { 1360}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 17   and name HB2 ))
  ASSI { 1362}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 14   and name HB% )
       4.100     2.300     1.900 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.76650E-03 ppm1      4.679 ppm2      1.518 CV     1
  OR { 1362}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 38   and name HB% )
  OR { 1362}
    (( segid "    " and resid 7    and name HA  ))
    (  segid "    " and resid 14   and name HB% )
  OR { 1362}
    (( segid "    " and resid 7    and name HA  ))
    (  segid "    " and resid 38   and name HB% )
  ASSI { 1363}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 5    and name HG12))
       3.500     1.700     2.500 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      4.681 ppm2      1.122 CV     1
  OR { 1363}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 34   and name HG12))
  OR { 1363}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 5    and name HG12))
  OR { 1363}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HG12))
  ASSI { 1364}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 5    and name HD1%)
       3.300     1.500     2.100 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.10239E-02 ppm1      4.685 ppm2      0.661 CV     1
  OR { 1364}
    (( segid "    " and resid 7    and name HA  ))
    (  segid "    " and resid 5    and name HD1%)
  OR { 1364}
    (( segid "    " and resid 7    and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 1364}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 1364}
    (( segid "    " and resid 7    and name HA  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 1372}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 7    and name HA  ))
       3.000     1.200     1.800 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      2.744 ppm2      4.668 CV     1
  OR { 1372}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 6    and name HA  ))
  OR { 1372}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 35   and name HA  ))
  OR { 1372}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 14   and name HA  ))
  ASSI { 1373}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 8    and name HA  ))
       2.900     1.100     1.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.60236E-03 ppm1      2.745 ppm2      4.044 CV     1
  OR { 1373}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 35   and name HB1 ))
  ASSI { 1375}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 10   and name HB2 ))
       4.300     2.500     1.700 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.48688E-03 ppm1      2.747 ppm2      1.725 CV     1
  OR { 1375}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI { 1376}
    (( segid "    " and resid 7    and name HB2 ))
    (  segid "    " and resid 14   and name HB% )
       3.100     1.300     1.900 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.10336E-02 ppm1      2.746 ppm2      1.516 CV     1
  OR { 1376}
    (( segid "    " and resid 7    and name HB2 ))
    (  segid "    " and resid 38   and name HB% )
  ASSI { 1378}
    (( segid "    " and resid 7    and name HB2 ))
    (  segid "    " and resid 5    and name HD1%)
       3.900     2.100     2.100 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.33386E-03 ppm1      2.742 ppm2      0.674 CV     1
  OR { 1378}
    (( segid "    " and resid 7    and name HB2 ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 1378}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 5    and name HG11))
  OR { 1378}
    (( segid "    " and resid 7    and name HB2 ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 1386}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       4.700     2.900     1.300 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.58011E-03 ppm1      2.746 ppm2      8.535 CV     1
  OR { 1386}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI { 1388}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 7    and name HA  ))
       3.200     1.400     2.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.21701E-02 ppm1      3.158 ppm2      4.681 CV     1
  OR { 1388}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 35   and name HA  ))
  OR { 1388}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 6    and name HA  ))
  OR { 1388}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 14   and name HA  ))
  ASSI { 1390}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 35   and name HB1 ))
       3.300     1.500     2.100 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.12103E-02 ppm1      3.169 ppm2      4.040 CV     1
  OR { 1390}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 8    and name HA  ))
  ASSI { 1393}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 10   and name HB2 ))
       4.500     2.700     1.500 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.40898E-04 ppm1      3.153 ppm2      1.751 CV     1
  OR { 1393}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 10   and name HG  ))
  OR { 1393}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI { 1394}
    (( segid "    " and resid 7    and name HB1 ))
    (  segid "    " and resid 14   and name HB% )
       3.500     1.700     2.500 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.12270E-02 ppm1      3.157 ppm2      1.516 CV     1
  OR { 1394}
    (( segid "    " and resid 7    and name HB1 ))
    (  segid "    " and resid 38   and name HB% )
  OR { 1394}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 82   and name HG11))
  ASSI { 1396}
    (( segid "    " and resid 7    and name HB1 ))
    (  segid "    " and resid 5    and name HD1%)
       4.400     2.600     1.600 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.71500E-03 ppm1      3.162 ppm2      0.671 CV     1
  OR { 1396}
    (( segid "    " and resid 7    and name HB1 ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 1396}
    (( segid "    " and resid 7    and name HB1 ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 1401}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 11   and name HN  ))
       3.000     1.200     1.800 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.11894E-02 ppm1      3.159 ppm2      8.549 CV     1
  OR { 1401}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 15   and name HN  ))
  OR { 1401}
    (( segid "    " and resid 7    and name HB1 ))
    (( segid "    " and resid 13   and name HN  ))
  ASSI {   58}
    (( segid "    " and resid 8    and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       4.000     2.200     2.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.48549E-03 ppm1      9.835 ppm2      0.675 CV     1
  OR {   58}
    (( segid "    " and resid 8    and name HN  ))
    (  segid "    " and resid 5    and name HD1%)
  OR {   58}
    (( segid "    " and resid 8    and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {   61}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 33   and name HB1 ))
       6.000     4.200     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.15859E-03 ppm1      9.836 ppm2      2.372 CV     1
  OR {   61}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 11   and name HB1 ))
  ASSI {   63}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 9    and name HB1 ))
       4.900     3.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.37699E-03 ppm1      9.835 ppm2      3.109 CV     1
  OR {   63}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 42   and name HB2 ))
  ASSI {   64}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 8    and name HA  ))
       3.500     1.700     2.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.34360E-03 ppm1      9.835 ppm2      4.060 CV     1
  OR {   64}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
  OR {   64}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 35   and name HB1 ))
  OR {   64}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI {   65}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 8    and name HB  ))
       3.300     1.500     2.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.51610E-03 ppm1      9.835 ppm2      4.402 CV     1
  OR {   65}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 9    and name HA  ))
  ASSI {   66}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 7    and name HA  ))
       2.800     1.000     1.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.84303E-03 ppm1      9.835 ppm2      4.678 CV     1
  OR {   66}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 6    and name HA  ))
  ASSI {   72}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 11   and name HE22))
       5.600     3.800     0.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.17806E-03 ppm1      9.835 ppm2      8.432 CV     1
  OR {   72}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI { 1407}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 7    and name HA  ))
       4.900     3.100     1.100 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.98074E-04 ppm1      4.066 ppm2      4.682 CV     1
  OR { 1407}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 6    and name HA  ))
  OR { 1407}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI { 1408}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HB  ))
       2.800     1.000     1.600 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.13327E-02 ppm1      4.067 ppm2      4.392 CV     1
  OR { 1408}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 9    and name HA  ))
  ASSI { 1411}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 9    and name HB1 ))
       4.100     2.300     1.900 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.62879E-03 ppm1      4.061 ppm2      3.095 CV     1
  OR { 1411}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 75   and name HB1 ))
  ASSI { 1417}
    (( segid "    " and resid 8    and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
       4.700     2.900     1.300 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.32830E-03 ppm1      4.066 ppm2      0.686 CV     1
  OR { 1417}
    (( segid "    " and resid 8    and name HA  ))
    (  segid "    " and resid 74   and name HD2%)
  OR { 1417}
    (( segid "    " and resid 8    and name HA  ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI { 1428}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 7    and name HA  ))
       4.100     2.300     1.900 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.12492E-02 ppm1      4.409 ppm2      4.676 CV     1
  OR { 1428}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 6    and name HA  ))
  ASSI { 1430}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 8    and name HA  ))
       3.200     1.400     2.100 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.60372E-03 ppm1      4.407 ppm2      4.070 CV     1
  OR { 1430}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 74   and name HA  ))
  ASSI { 1431}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 9    and name HB1 ))
       4.900     3.100     1.100 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.26014E-03 ppm1      4.403 ppm2      3.085 CV     1
  OR { 1431}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 75   and name HB1 ))
  OR { 1431}
    (( segid "    " and resid 8    and name HB  ))
    (( segid "    " and resid 73   and name HB1 ))
  ASSI { 1435}
    (( segid "    " and resid 8    and name HB  ))
    (  segid "    " and resid 34   and name HD1%)
       3.700     1.900     2.300 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.43541E-03 ppm1      4.407 ppm2      0.677 CV     1
  OR { 1435}
    (( segid "    " and resid 8    and name HB  ))
    (  segid "    " and resid 74   and name HD2%)
  OR { 1435}
    (( segid "    " and resid 8    and name HB  ))
    (  segid "    " and resid 5    and name HD1%)
  ASSI { 1443}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 7    and name HA  ))
       4.300     2.500     1.700 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.38673E-03 ppm1      1.619 ppm2      4.679 CV     1
  OR { 1443}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 6    and name HA  ))
  ASSI { 1445}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 8    and name HA  ))
       3.100     1.300     1.900 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      1.619 ppm2      4.073 CV     1
  OR { 1445}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 74   and name HA  ))
  OR { 1445}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 35   and name HB1 ))
  ASSI { 1447}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 75   and name HB2 ))
       5.100     3.300     0.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.28935E-03 ppm1      1.619 ppm2      3.376 CV     1
  OR { 1447}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 11   and name HA  ))
  OR { 1447}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 73   and name HB2 ))
  ASSI { 1448}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 75   and name HB1 ))
       4.500     2.700     1.500 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.73730E-03 ppm1      1.619 ppm2      3.083 CV     1
  OR { 1448}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 9    and name HB1 ))
  OR { 1448}
    (( segid "    " and resid 8    and name HG1 ))
    (( segid "    " and resid 42   and name HB2 ))
  ASSI { 1456}
    (( segid "    " and resid 8    and name HG1 ))
    (  segid "    " and resid 34   and name HD1%)
       4.000     2.200     2.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.71086E-03 ppm1      1.619 ppm2      0.683 CV     1
  OR { 1456}
    (( segid "    " and resid 8    and name HG1 ))
    (  segid "    " and resid 30   and name HG2%)
  OR { 1456}
    (( segid "    " and resid 8    and name HG1 ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {   77}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       3.800     2.000     2.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.53696E-03 ppm1      9.226 ppm2      0.680 CV     1
  OR {   77}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {   79}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 34   and name HG2%)
       4.500     2.700     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.86386E-03 ppm1      9.227 ppm2      1.282 CV     1
  OR {   79}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 12   and name HG1 ))
  ASSI {   80}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 38   and name HB% )
       4.100     2.300     1.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.84020E-03 ppm1      9.225 ppm2      1.550 CV     1
  OR {   80}
    (( segid "    " and resid 9    and name HN  ))
    (  segid "    " and resid 14   and name HB% )
  ASSI {   84}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 8    and name HA  ))
       3.800     2.000     2.200 peak    84 spectrum    1 weight  0.10000E+01 volume  0.29074E-03 ppm1      9.226 ppm2      4.042 CV     1
  OR {   84}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 35   and name HB1 ))
  ASSI {   85}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 9    and name HA  ))
       3.500     1.700     2.400 peak    85 spectrum    1 weight  0.10000E+01 volume  0.48132E-03 ppm1      9.226 ppm2      4.398 CV     1
  OR {   85}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 8    and name HB  ))
  ASSI {   86}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 7    and name HA  ))
       4.600     2.800     1.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.43124E-03 ppm1      9.226 ppm2      4.665 CV     1
  OR {   86}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
  OR {   86}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 6    and name HA  ))
  ASSI { 1475}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 8    and name HA  ))
       3.000     1.200     1.800 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.32552E-02 ppm1      4.400 ppm2      4.075 CV     1
  OR { 1475}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 74   and name HA  ))
  OR { 1475}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 39   and name HA  ))
  OR { 1475}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 35   and name HB1 ))
  ASSI { 1479}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
       3.900     2.100     2.100 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      4.398 ppm2      1.694 CV     1
  OR { 1479}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI { 1483}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       3.800     2.000     2.200 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.93620E-03 ppm1      4.395 ppm2      8.516 CV     1
  OR { 1483}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 74   and name HN  ))
  ASSI { 1487}
    (( segid "    " and resid 9    and name HA  ))
    (  segid "    " and resid 38   and name HB% )
       4.000     2.200     2.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      4.402 ppm2      1.519 CV     1
  OR { 1487}
    (( segid "    " and resid 9    and name HA  ))
    (  segid "    " and resid 14   and name HB% )
  ASSI { 1490}
    (( segid "    " and resid 9    and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
       4.000     2.200     2.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.10336E-02 ppm1      4.401 ppm2      0.681 CV     1
  OR { 1490}
    (( segid "    " and resid 9    and name HA  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {   98}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       5.700     3.900     0.300 peak    98 spectrum    1 weight  0.10000E+01 volume  0.16972E-03 ppm1     10.321 ppm2      0.676 CV     1
  OR {   98}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 5    and name HD1%)
  OR {   98}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {  100}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 10   and name HB2 ))
       3.000     1.200     1.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.45628E-03 ppm1     10.320 ppm2      1.733 CV     1
  OR {  100}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI {  101}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 38   and name HB% )
       3.800     2.000     2.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.94038E-03 ppm1     10.322 ppm2      1.501 CV     1
  OR {  101}
    (( segid "    " and resid 10   and name HN  ))
    (  segid "    " and resid 14   and name HB% )
  ASSI {  103}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 7    and name HB2 ))
       5.500     3.700     0.500 peak   103 spectrum    1 weight  0.10000E+01 volume  0.14189E-03 ppm1     10.320 ppm2      2.778 CV     1
  OR {  103}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 34   and name HB  ))
  ASSI {  107}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 9    and name HA  ))
       4.300     2.500     1.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.25735E-03 ppm1     10.321 ppm2      4.409 CV     1
  OR {  107}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 8    and name HB  ))
  ASSI {  108}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 35   and name HB2 ))
       6.000     4.200     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.18641E-03 ppm1     10.321 ppm2      4.643 CV     1
  OR {  108}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 6    and name HA  ))
  OR {  108}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI { 1491}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
       2.800     1.000     1.600 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.25457E-02 ppm1      3.980 ppm2      1.751 CV     1
  OR { 1491}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HG  ))
  OR { 1491}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI { 1497}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       3.400     1.600     2.300 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.83607E-03 ppm1      3.980 ppm2      8.558 CV     1
  OR { 1497}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
  ASSI { 1503}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 7    and name HB2 ))
       6.000     4.200     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.15719E-03 ppm1      1.429 ppm2      2.777 CV     1
  OR { 1503}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 37   and name HB1 ))
  ASSI { 1504}
    (( segid "    " and resid 21   and name HB1 ))
    (( segid "    " and resid 23   and name HB1 ))
       3.700     1.900     2.300 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.13883E-02 ppm1      1.441 ppm2      2.297 CV     1
  OR { 1504}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 11   and name HG2 ))
  OR { 1504}
    (( segid "    " and resid 21   and name HB1 ))
    (( segid "    " and resid 20   and name HG2 ))
  ASSI { 1508}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 12   and name HD1 ))
       3.700     1.900     2.300 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.83884E-03 ppm1      1.433 ppm2      3.197 CV     1
  OR { 1508}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 7    and name HB1 ))
  ASSI { 1515}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 14   and name HA  ))
       6.000     4.200     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.13577E-03 ppm1      1.449 ppm2      4.704 CV     1
  OR { 1515}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 7    and name HA  ))
  OR { 1515}
    (( segid "    " and resid 10   and name HB1 ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI { 1518}
    (( segid "    " and resid 55   and name HB1 ))
    (( segid "    " and resid 55   and name HA  ))
       3.400     1.600     2.300 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.40063E-03 ppm1      1.722 ppm2      4.438 CV     1
  OR { 1518}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 9    and name HA  ))
  ASSI { 1526}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       2.900     1.100     1.700 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.15997E-02 ppm1      1.730 ppm2      8.530 CV     1
  OR { 1526}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 13   and name HN  ))
  OR { 1526}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI { 1527}
    (( segid "    " and resid 55   and name HB1 ))
    (( segid "    " and resid 55   and name HN  ))
       3.200     1.400     2.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.42985E-03 ppm1      1.726 ppm2      7.838 CV     1
  OR { 1527}
    (( segid "    " and resid 55   and name HB1 ))
    (( segid "    " and resid 62   and name HN  ))
  OR { 1527}
    (( segid "    " and resid 55   and name HB1 ))
    (( segid "    " and resid 56   and name HD21))
  ASSI { 1531}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 14   and name HA  ))
       3.700     1.900     2.300 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.19336E-02 ppm1      1.018 ppm2      4.662 CV     1
  OR { 1531}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 35   and name HA  ))
  OR { 1531}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 7    and name HA  ))
  OR { 1531}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 6    and name HA  ))
  OR { 1531}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 15   and name HA  ))
  ASSI { 1533}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 7    and name HB1 ))
       3.800     2.000     2.200 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.11324E-02 ppm1      1.018 ppm2      3.197 CV     1
  OR { 1533}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 12   and name HD1 ))
  ASSI { 1534}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 37   and name HB1 ))
       3.400     1.600     2.400 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.20310E-02 ppm1      1.017 ppm2      2.802 CV     1
  OR { 1534}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 34   and name HB  ))
  ASSI { 1536}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 10   and name HG  ))
       2.300     0.500     1.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.46045E-02 ppm1      1.007 ppm2      1.750 CV     1
  OR { 1536}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 10   and name HB2 ))
  OR { 1536}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 12   and name HB2 ))
  ASSI { 1544}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 15   and name HN  ))
       4.400     2.600     1.600 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      1.021 ppm2      8.534 CV     1
  OR { 1544}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 11   and name HN  ))
  OR { 1544}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 13   and name HN  ))
  ASSI { 1545}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 38   and name HN  ))
       3.100     1.300     1.900 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.20727E-02 ppm1      1.020 ppm2      8.353 CV     1
  OR { 1545}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 34   and name HN  ))
  OR { 1545}
    (  segid "    " and resid 10   and name HD1%)
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  122}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 10   and name HB2 ))
       3.300     1.500     2.200 peak   122 spectrum    1 weight  0.10000E+01 volume  0.65245E-03 ppm1      8.531 ppm2      1.703 CV     1
  OR {  122}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI {  127}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 9    and name HA  ))
       4.700     2.900     1.300 peak   127 spectrum    1 weight  0.10000E+01 volume  0.27404E-03 ppm1      8.538 ppm2      4.410 CV     1
  OR {  127}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 8    and name HB  ))
  ASSI {  128}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 8    and name HA  ))
       4.200     2.400     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.38255E-03 ppm1      8.532 ppm2      4.033 CV     1
  OR {  128}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 35   and name HB1 ))
  ASSI {  129}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 6    and name HA  ))
       5.400     3.600     0.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.21284E-03 ppm1      8.538 ppm2      4.626 CV     1
  OR {  129}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI {  131}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 11   and name HE21))
       3.600     1.800     2.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.28935E-03 ppm1      8.534 ppm2      7.410 CV     1
  OR {  131}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
  ASSI { 1551}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
       6.000     4.200     0.000 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.46463E-04 ppm1      3.391 ppm2      1.728 CV     1
  OR { 1551}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI {  138}
    (( segid "    " and resid 12   and name HN  ))
    (  segid "    " and resid 5    and name HD1%)
       5.500     3.700     0.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.15441E-03 ppm1      6.781 ppm2      0.671 CV     1
  OR {  138}
    (( segid "    " and resid 12   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
  ASSI {  140}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 12   and name HG2 ))
       2.700     0.900     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.14885E-02 ppm1      6.782 ppm2      1.403 CV     1
  OR {  140}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 10   and name HB1 ))
  ASSI {  141}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 10   and name HB2 ))
       3.300     1.500     2.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.65658E-03 ppm1      6.782 ppm2      1.717 CV     1
  OR {  141}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 12   and name HB2 ))
  ASSI { 1590}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HB2 ))
       2.700     0.900     1.500 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.20449E-02 ppm1      4.510 ppm2      1.728 CV     1
  OR { 1590}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
  ASSI { 1598}
    (( segid "    " and resid 12   and name HB1 ))
    (( segid "    " and resid 12   and name HA  ))
       2.400     0.600     1.200 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.36307E-02 ppm1      2.116 ppm2      4.513 CV     1
  OR { 1598}
    (( segid "    " and resid 57   and name HB1 ))
    (( segid "    " and resid 57   and name HA  ))
  OR { 1598}
    (( segid "    " and resid 58   and name HB2 ))
    (( segid "    " and resid 58   and name HA  ))
  ASSI { 1600}
    (( segid "    " and resid 12   and name HB1 ))
    (( segid "    " and resid 12   and name HD1 ))
       2.700     0.900     1.400 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.16832E-02 ppm1      2.121 ppm2      3.210 CV     1
  OR { 1600}
    (( segid "    " and resid 57   and name HB1 ))
    (( segid "    " and resid 63   and name HD1 ))
  ASSI { 1604}
    (( segid "    " and resid 12   and name HB1 ))
    (( segid "    " and resid 13   and name HN  ))
       3.400     1.600     2.300 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.41455E-02 ppm1      2.115 ppm2      8.538 CV     1
  OR { 1604}
    (( segid "    " and resid 12   and name HB1 ))
    (( segid "    " and resid 11   and name HN  ))
  ASSI { 1609}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 10   and name HA  ))
       5.200     3.400     0.800 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.69835E-03 ppm1      1.735 ppm2      4.021 CV     1
  OR { 1609}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 35   and name HB1 ))
  ASSI { 1614}
    (( segid "    " and resid 12   and name HD1 ))
    (( segid "    " and resid 12   and name HB2 ))
       3.300     1.500     2.200 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.15580E-02 ppm1      3.228 ppm2      1.734 CV     1
  OR { 1614}
    (( segid "    " and resid 12   and name HD1 ))
    (( segid "    " and resid 10   and name HB2 ))
  ASSI { 1625}
    (( segid "    " and resid 12   and name HG1 ))
    (( segid "    " and resid 13   and name HN  ))
       3.800     2.000     2.200 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.54809E-03 ppm1      1.290 ppm2      8.558 CV     1
  OR { 1625}
    (( segid "    " and resid 12   and name HG1 ))
    (( segid "    " and resid 11   and name HN  ))
  ASSI { 1627}
    (( segid "    " and resid 12   and name HG2 ))
    (( segid "    " and resid 12   and name HD1 ))
       2.200     0.400     1.000 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.36864E-02 ppm1      1.386 ppm2      3.199 CV     1
  OR { 1627}
    (( segid "    " and resid 12   and name HG2 ))
    (( segid "    " and resid 7    and name HB1 ))
  ASSI {  158}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 12   and name HD1 ))
       3.100     1.300     1.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.71500E-03 ppm1      8.570 ppm2      3.192 CV     1
  OR {  158}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 7    and name HB1 ))
  ASSI {  167}
    (( segid "    " and resid 13   and name HN  ))
    (  segid "    " and resid 6    and name HD% )
       2.000     0.200     4.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.81518E-03 ppm1      8.567 ppm2      7.190 CV     1
  OR {  167}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 41   and name HE21))
  ASSI { 1633}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 6    and name HA  ))
       2.700     0.900     1.400 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.46463E-02 ppm1      5.607 ppm2      4.662 CV     1
  OR { 1633}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HA  ))
  OR { 1633}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 15   and name HA  ))
  OR { 1633}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI { 1641}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 12   and name HB2 ))
       4.700     2.900     1.300 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.35890E-03 ppm1      5.607 ppm2      1.713 CV     1
  OR { 1641}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
  ASSI { 1645}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       3.300     1.500     2.200 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.66354E-03 ppm1      5.610 ppm2      8.568 CV     1
  OR { 1645}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI { 1647}
    (( segid "    " and resid 13   and name HA  ))
    (  segid "    " and resid 6    and name HD% )
       2.100     0.300     3.900 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.47297E-03 ppm1      5.610 ppm2      7.212 CV     1
  OR { 1647}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 41   and name HE21))
  ASSI { 1648}
    (( segid "    " and resid 13   and name HA  ))
    (  segid "    " and resid 6    and name HE% )
       2.500     0.700     3.500 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.17249E-03 ppm1      5.602 ppm2      6.779 CV     1
  OR { 1648}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
  ASSI {  170}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 5    and name HG11))
       4.400     2.600     1.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.24344E-03 ppm1      9.783 ppm2      0.694 CV     1
  OR {  170}
    (( segid "    " and resid 14   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
  ASSI {  177}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 14   and name HA  ))
       3.400     1.600     2.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.78179E-03 ppm1      9.783 ppm2      4.672 CV     1
  OR {  177}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 6    and name HA  ))
  OR {  177}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
  OR {  177}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI {  179}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       3.200     1.400     2.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.35334E-04 ppm1      9.784 ppm2      6.794 CV     1
  OR {  179}
    (( segid "    " and resid 14   and name HN  ))
    (  segid "    " and resid 6    and name HE% )
  ASSI {  182}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 15   and name HN  ))
       5.100     3.300     0.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.23788E-03 ppm1      9.783 ppm2      8.540 CV     1
  OR {  182}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 13   and name HN  ))
  ASSI { 1653}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 13   and name HB2 ))
       3.900     2.100     2.100 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.79429E-03 ppm1      4.689 ppm2      2.557 CV     1
  OR { 1653}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HG1 ))
  ASSI { 1659}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 5    and name HD1%)
       5.900     4.100     0.100 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.10892E-03 ppm1      4.686 ppm2      0.641 CV     1
  OR { 1659}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  ASSI { 1660}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 4    and name HG2%)
       4.200     2.400     1.800 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.38255E-03 ppm1      4.687 ppm2      1.217 CV     1
  OR { 1660}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 34   and name HG2%)
  ASSI { 1669}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 14   and name HA  ))
       2.600     0.800     1.300 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.35751E-02 ppm1      1.532 ppm2      4.672 CV     1
  OR { 1669}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 35   and name HA  ))
  OR { 1669}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 15   and name HA  ))
  ASSI { 1677}
    (  segid "    " and resid 14   and name HB% )
    (  segid "    " and resid 5    and name HG2%)
       3.700     1.900     2.300 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.22814E-02 ppm1      1.519 ppm2      0.803 CV     1
  OR { 1677}
    (  segid "    " and resid 14   and name HB% )
    (  segid "    " and resid 74   and name HD1%)
  ASSI { 1678}
    (  segid "    " and resid 14   and name HB% )
    (  segid "    " and resid 5    and name HD1%)
       3.100     1.300     1.900 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.14885E-02 ppm1      1.520 ppm2      0.642 CV     1
  OR { 1678}
    (  segid "    " and resid 14   and name HB% )
    (  segid "    " and resid 34   and name HD1%)
  ASSI { 1680}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 14   and name HN  ))
       3.000     1.200     1.800 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      1.532 ppm2      9.811 CV     1
  OR { 1680}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 8    and name HN  ))
  ASSI { 1681}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 37   and name HN  ))
       4.200     2.400     1.800 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.91254E-03 ppm1      1.534 ppm2      9.131 CV     1
  OR { 1681}
    (  segid "    " and resid 14   and name HB% )
    (( segid "    " and resid 5    and name HN  ))
  ASSI {  186}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 5    and name HG11))
       3.400     1.600     2.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      8.524 ppm2      0.697 CV     1
  OR {  186}
    (( segid "    " and resid 15   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
  OR {  186}
    (( segid "    " and resid 15   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {  191}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 7    and name HB1 ))
       5.500     3.700     0.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.55087E-03 ppm1      8.525 ppm2      3.128 CV     1
  OR {  191}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 36   and name HE2 ))
  ASSI {  193}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 35   and name HB1 ))
       3.900     2.100     2.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.12645E-02 ppm1      8.524 ppm2      4.058 CV     1
  OR {  193}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
  OR {  193}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 17   and name HA  ))
  ASSI {  194}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HA  ))
       2.800     1.000     1.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.17945E-02 ppm1      8.530 ppm2      4.670 CV     1
  OR {  194}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
  OR {  194}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI {  199}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       4.500     2.700     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.31160E-03 ppm1      8.526 ppm2      9.132 CV     1
  OR {  199}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 5    and name HN  ))
  ASSI { 1688}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HA2 ))
       4.300     2.500     1.700 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.88610E-03 ppm1      4.627 ppm2      3.356 CV     1
  OR { 1688}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 36   and name HE1 ))
  ASSI { 1692}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 14   and name HB% )
       4.000     2.200     2.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.10767E-02 ppm1      4.623 ppm2      1.500 CV     1
  OR { 1692}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 36   and name HD2 ))
  OR { 1692}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 3    and name HG2 ))
  ASSI { 1695}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       3.300     1.500     2.100 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      4.628 ppm2      9.106 CV     1
  OR { 1695}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
  ASSI { 1697}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 15   and name HA  ))
       2.400     0.600     1.100 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.32691E-02 ppm1      2.076 ppm2      4.642 CV     1
  OR { 1697}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 35   and name HA  ))
  OR { 1697}
    (( segid "    " and resid 15   and name HB1 ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI { 1700}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HA  ))
       2.700     0.900     1.500 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.24483E-02 ppm1      2.128 ppm2      4.638 CV     1
  OR { 1700}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI { 1704}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 33   and name HA  ))
       3.200     1.400     2.000 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.13132E-02 ppm1      2.566 ppm2      4.948 CV     1
  OR { 1704}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 75   and name HA  ))
  ASSI { 1705}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 15   and name HA  ))
       2.700     0.900     1.500 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      2.568 ppm2      4.635 CV     1
  OR { 1705}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI { 1708}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 36   and name HE1 ))
       4.800     3.000     1.200 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.50636E-03 ppm1      2.572 ppm2      3.374 CV     1
  OR { 1708}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 16   and name HA2 ))
  OR { 1708}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 75   and name HB2 ))
  ASSI { 1713}
    (( segid "    " and resid 33   and name HG1 ))
    (  segid "    " and resid 30   and name HD1%)
       5.000     3.200     1.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.83046E-03 ppm1      2.572 ppm2      0.890 CV     1
  OR { 1713}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 36   and name HG2 ))
  OR { 1713}
    (( segid "    " and resid 33   and name HG1 ))
    (  segid "    " and resid 26   and name HD1%)
  ASSI { 1714}
    (( segid "    " and resid 33   and name HG1 ))
    (  segid "    " and resid 30   and name HG2%)
       3.700     1.900     2.300 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.56619E-03 ppm1      2.571 ppm2      0.684 CV     1
  OR { 1714}
    (( segid "    " and resid 33   and name HG1 ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 1714}
    (( segid "    " and resid 33   and name HG1 ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 1717}
    (( segid "    " and resid 15   and name HG1 ))
    (( segid "    " and resid 15   and name HN  ))
       3.700     1.900     2.300 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      2.561 ppm2      8.537 CV     1
  OR { 1717}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI { 1718}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 32   and name HD22))
       4.700     2.900     1.300 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.42985E-03 ppm1      2.572 ppm2      7.075 CV     1
  OR { 1718}
    (( segid "    " and resid 33   and name HG1 ))
    (  segid "    " and resid 9    and name HD% )
  ASSI {  204}
    (( segid "    " and resid 16   and name HN  ))
    (  segid "    " and resid 4    and name HG2%)
       2.500     0.700     3.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.28935E-03 ppm1      9.324 ppm2      1.169 CV     1
  OR {  204}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 34   and name HG12))
  ASSI {  205}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 36   and name HD2 ))
       4.000     2.200     2.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.41038E-03 ppm1      9.325 ppm2      1.479 CV     1
  OR {  205}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 3    and name HG2 ))
  ASSI {  206}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 3    and name HB1 ))
       3.200     1.400     2.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.44376E-03 ppm1      9.324 ppm2      1.783 CV     1
  OR {  206}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 23   and name HG1 ))
  ASSI {  209}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 16   and name HA2 ))
       3.900     2.100     2.100 peak   209 spectrum    1 weight  0.10000E+01 volume  0.41315E-03 ppm1      9.325 ppm2      3.355 CV     1
  OR {  209}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 36   and name HE1 ))
  ASSI {  211}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
       2.800     1.000     1.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11240E-02 ppm1      9.324 ppm2      4.663 CV     1
  OR {  211}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI { 1720}
    (( segid "    " and resid 16   and name HA1 ))
    (( segid "    " and resid 15   and name HA  ))
       4.300     2.500     1.700 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.69694E-03 ppm1      4.165 ppm2      4.662 CV     1
  OR { 1720}
    (( segid "    " and resid 16   and name HA1 ))
    (( segid "    " and resid 32   and name HA  ))
  OR { 1720}
    (( segid "    " and resid 16   and name HA1 ))
    (( segid "    " and resid 35   and name HA  ))
  OR { 1720}
    (( segid "    " and resid 16   and name HA1 ))
    (( segid "    " and resid 17   and name HE22))
  ASSI { 1722}
    (( segid "    " and resid 16   and name HA1 ))
    (( segid "    " and resid 3    and name HG2 ))
       6.000     4.200     0.000 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.26014E-05 ppm1      4.183 ppm2      1.488 CV     1
  OR { 1722}
    (( segid "    " and resid 16   and name HA1 ))
    (( segid "    " and resid 36   and name HD2 ))
  OR { 1722}
    (( segid "    " and resid 16   and name HA1 ))
    (  segid "    " and resid 14   and name HB% )
  ASSI { 1731}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 36   and name HD2 ))
       4.100     2.300     1.900 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.60236E-03 ppm1      3.365 ppm2      1.485 CV     1
  OR { 1731}
    (( segid "    " and resid 16   and name HA2 ))
    (  segid "    " and resid 14   and name HB% )
  ASSI { 1732}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 17   and name HG2 ))
       5.600     3.800     0.400 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.14050E-03 ppm1      3.377 ppm2      2.577 CV     1
  OR { 1732}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 15   and name HG1 ))
  ASSI { 1733}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 15   and name HA  ))
       3.700     1.900     2.300 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.12103E-02 ppm1      3.375 ppm2      4.637 CV     1
  OR { 1733}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 32   and name HA  ))
  OR { 1733}
    (( segid "    " and resid 16   and name HA2 ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI {  222}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 17   and name HG2 ))
       5.400     3.600     0.600 peak   222 spectrum    1 weight  0.10000E+01 volume  0.22814E-03 ppm1      9.970 ppm2      2.616 CV     1
  OR {  222}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 15   and name HG1 ))
  ASSI {  223}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HA2 ))
       3.900     2.100     2.100 peak   223 spectrum    1 weight  0.10000E+01 volume  0.19336E-03 ppm1      9.970 ppm2      3.356 CV     1
  OR {  223}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 36   and name HE1 ))
  ASSI {  224}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 17   and name HA  ))
       3.100     1.300     1.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.34777E-03 ppm1      9.970 ppm2      4.128 CV     1
  OR {  224}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HA1 ))
  ASSI {  225}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
       5.400     3.600     0.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.97514E-04 ppm1      9.970 ppm2      4.648 CV     1
  OR {  225}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
  OR {  225}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI { 1741}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 36   and name HE1 ))
       2.700     0.900     1.400 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.10948E-02 ppm1      4.086 ppm2      3.374 CV     1
  OR { 1741}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 73   and name HB2 ))
  OR { 1741}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 16   and name HA2 ))
  ASSI { 1742}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 36   and name HE2 ))
       3.600     1.800     2.400 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      4.094 ppm2      3.101 CV     1
  OR { 1742}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 42   and name HB2 ))
  ASSI { 1744}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HG2 ))
       3.500     1.700     2.400 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      4.094 ppm2      2.614 CV     1
  OR { 1744}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 15   and name HG1 ))
  ASSI { 1755}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 75   and name HN  ))
       2.400     0.600     3.600 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.47854E-02 ppm1      4.082 ppm2      8.048 CV     1
  OR { 1755}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI { 1756}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 42   and name HD1 ))
       4.500     2.700     1.500 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.13827E-02 ppm1      4.091 ppm2      7.276 CV     1
  OR { 1756}
    (( segid "    " and resid 74   and name HA  ))
    (  segid "    " and resid 73   and name HE% )
  ASSI { 1760}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 67   and name HA  ))
       2.700     0.900     1.500 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.40620E-02 ppm1      2.331 ppm2      4.041 CV     1
  OR { 1760}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 20   and name HA  ))
  ASSI { 1763}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 17   and name HG2 ))
       1.800     0.000     4.200 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.10836E-01 ppm1      2.325 ppm2      2.598 CV     1
  OR { 1763}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 68   and name HG2 ))
  ASSI { 1765}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 78   and name HB1 ))
       6.000     4.200     0.000 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.80963E-04 ppm1      2.323 ppm2      1.819 CV     1
  OR { 1765}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 23   and name HG1 ))
  ASSI { 1766}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 36   and name HD2 ))
       4.600     2.800     1.400 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.37281E-03 ppm1      2.327 ppm2      1.510 CV     1
  OR { 1766}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 28   and name HG2 ))
  OR { 1766}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 82   and name HG11))
  OR { 1766}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 21   and name HG  ))
  ASSI { 1767}
    (( segid "    " and resid 17   and name HB1 ))
    (( segid "    " and resid 36   and name HG2 ))
       3.100     1.300     1.900 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.25179E-02 ppm1      2.325 ppm2      0.855 CV     1
  OR { 1767}
    (( segid "    " and resid 67   and name HB1 ))
    (  segid "    " and resid 80   and name HG1%)
  OR { 1767}
    (( segid "    " and resid 17   and name HB1 ))
    (  segid "    " and resid 21   and name HD1%)
  OR { 1767}
    (( segid "    " and resid 67   and name HB1 ))
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 1770}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 67   and name HN  ))
       2.800     1.000     1.500 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.17945E-02 ppm1      2.337 ppm2      8.300 CV     1
  OR { 1770}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 66   and name HN  ))
  ASSI { 1775}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HA  ))
       2.500     0.700     1.200 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.42290E-02 ppm1      1.854 ppm2      4.103 CV     1
  OR { 1775}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI { 1781}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 17   and name HE22))
       3.800     2.000     2.200 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.80686E-03 ppm1      2.224 ppm2      4.706 CV     1
  OR { 1781}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI { 1782}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 17   and name HA  ))
       2.200     0.400     3.800 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.32413E-02 ppm1      2.220 ppm2      4.083 CV     1
  OR { 1782}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 36   and name HA  ))
  OR { 1782}
    (( segid "    " and resid 17   and name HG1 ))
    (( segid "    " and resid 20   and name HA  ))
  ASSI { 1788}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HE22))
       4.500     2.700     1.500 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.28100E-03 ppm1      2.607 ppm2      4.687 CV     1
  OR { 1788}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 35   and name HA  ))
  OR { 1788}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 22   and name HA  ))
  ASSI {  241}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 36   and name HE1 ))
       3.400     1.600     2.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.84858E-03 ppm1      8.995 ppm2      3.385 CV     1
  OR {  241}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 16   and name HA2 ))
  ASSI {  242}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 17   and name HA  ))
       2.800     1.000     1.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.97378E-03 ppm1      9.000 ppm2      4.099 CV     1
  OR {  242}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
  OR {  242}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI { 1795}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 16   and name HA2 ))
       3.100     1.300     2.900 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.21145E-02 ppm1      4.565 ppm2      3.351 CV     1
  OR { 1795}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 36   and name HE1 ))
  ASSI { 1798}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 76   and name HG1 ))
       2.300     0.500     1.100 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.82350E-02 ppm1      4.565 ppm2      2.325 CV     1
  OR { 1798}
    (( segid "    " and resid 76   and name HA  ))
    (( segid "    " and resid 76   and name HB2 ))
  OR { 1798}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 17   and name HB1 ))
  ASSI {  252}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 36   and name HD2 ))
       3.600     1.800     2.400 peak   252 spectrum    1 weight  0.10000E+01 volume  0.34082E-03 ppm1      7.768 ppm2      1.471 CV     1
  OR {  252}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 21   and name HB1 ))
  OR {  252}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 28   and name HG2 ))
  ASSI {  257}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
       4.400     2.600     1.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.42290E-03 ppm1      7.768 ppm2      4.100 CV     1
  OR {  257}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 17   and name HA  ))
  ASSI {  263}
    (( segid "    " and resid 19   and name HN  ))
    (  segid "    " and resid 19   and name HE% )
       5.800     4.000     0.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      7.768 ppm2      6.855 CV     1
  OR {  263}
    (( segid "    " and resid 19   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
  ASSI { 1820}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 20   and name HG2 ))
       6.000     4.200     0.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.14467E-03 ppm1      4.805 ppm2      2.329 CV     1
  OR { 1820}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 17   and name HB1 ))
  ASSI { 1830}
    (( segid "    " and resid 19   and name HA  ))
    (  segid "    " and resid 19   and name HE% )
       4.700     2.900     1.300 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.45489E-03 ppm1      4.814 ppm2      6.851 CV     1
  OR { 1830}
    (( segid "    " and resid 19   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
  ASSI { 1856}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 19   and name HB1 ))
       3.300     1.500     2.200 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.18362E-02 ppm1      4.069 ppm2      3.197 CV     1
  OR { 1856}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
  ASSI { 1858}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 17   and name HG1 ))
       3.400     1.600     2.300 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.41176E-02 ppm1      4.069 ppm2      2.266 CV     1
  OR { 1858}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 23   and name HB1 ))
  ASSI { 1859}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       3.900     2.100     2.100 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.83329E-03 ppm1      4.070 ppm2      8.262 CV     1
  OR { 1859}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 73   and name HN  ))
  ASSI { 1860}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       2.600     0.800     1.300 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      4.067 ppm2      8.010 CV     1
  OR { 1860}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
  OR { 1860}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HE21))
  ASSI { 1864}
    (( segid "    " and resid 74   and name HG  ))
    (( segid "    " and resid 74   and name HA  ))
       2.500     0.700     1.300 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.52445E-02 ppm1      1.751 ppm2      4.076 CV     1
  OR { 1864}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HA  ))
  OR { 1864}
    (( segid "    " and resid 74   and name HG  ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI { 1865}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       3.000     1.200     1.800 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.10210E-02 ppm1      1.750 ppm2      8.011 CV     1
  OR { 1865}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
  OR { 1865}
    (( segid "    " and resid 74   and name HG  ))
    (( segid "    " and resid 75   and name HN  ))
  ASSI { 1867}
    (( segid "    " and resid 74   and name HG  ))
    (( segid "    " and resid 42   and name HD1 ))
       2.600     0.800     1.300 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.40759E-02 ppm1      1.750 ppm2      7.298 CV     1
  OR { 1867}
    (( segid "    " and resid 20   and name HB2 ))
    (  segid "    " and resid 22   and name HD% )
  OR { 1867}
    (( segid "    " and resid 74   and name HG  ))
    (( segid "    " and resid 39   and name HE3 ))
  ASSI { 1872}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 23   and name HB1 ))
       3.500     1.700     2.500 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.26292E-02 ppm1      1.374 ppm2      2.252 CV     1
  OR { 1872}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 17   and name HG1 ))
  ASSI { 1875}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 21   and name HN  ))
       3.600     1.800     2.400 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.46045E-03 ppm1      1.381 ppm2      8.012 CV     1
  OR { 1875}
    (( segid "    " and resid 20   and name HB1 ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI { 1878}
    (( segid "    " and resid 20   and name HG1 ))
    (( segid "    " and resid 20   and name HN  ))
       2.700     0.900     1.500 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.21562E-02 ppm1      2.208 ppm2      8.009 CV     1
  OR { 1878}
    (( segid "    " and resid 20   and name HG1 ))
    (( segid "    " and resid 20   and name HE21))
  OR { 1878}
    (( segid "    " and resid 70   and name HG1 ))
    (( segid "    " and resid 71   and name HN  ))
  OR { 1878}
    (( segid "    " and resid 20   and name HG1 ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI { 1882}
    (( segid "    " and resid 20   and name HG2 ))
    (( segid "    " and resid 20   and name HE21))
       2.700     0.900     1.400 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.12506E-02 ppm1      2.308 ppm2      7.992 CV     1
  OR { 1882}
    (( segid "    " and resid 20   and name HG2 ))
    (( segid "    " and resid 20   and name HN  ))
  OR { 1882}
    (( segid "    " and resid 20   and name HG2 ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  270}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 23   and name HB1 ))
       4.500     2.700     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.28796E-03 ppm1      7.993 ppm2      2.267 CV     1
  OR {  270}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 17   and name HG1 ))
  ASSI {  280}
    (( segid "    " and resid 21   and name HN  ))
    (  segid "    " and resid 22   and name HD% )
       5.600     3.800     0.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.10753E-03 ppm1      7.992 ppm2      7.304 CV     1
  OR {  280}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 17   and name HE21))
  ASSI { 1887}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       3.300     1.500     2.200 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.64685E-03 ppm1      4.313 ppm2      7.999 CV     1
  OR { 1887}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI { 1895}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 22   and name HA  ))
       6.000     4.200     0.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.26152E-03 ppm1      0.824 ppm2      4.701 CV     1
  OR { 1895}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 17   and name HE22))
  ASSI { 1896}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 23   and name HA  ))
       4.600     2.800     1.400 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.65936E-03 ppm1      0.824 ppm2      4.569 CV     1
  OR { 1896}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 27   and name HA1 ))
  ASSI { 1903}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 17   and name HG1 ))
       3.000     1.200     1.900 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.51888E-02 ppm1      0.817 ppm2      2.265 CV     1
  OR { 1903}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 23   and name HB1 ))
  ASSI { 1904}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 23   and name HG1 ))
       3.000     1.200     3.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.91537E-02 ppm1      0.825 ppm2      1.791 CV     1
  OR { 1904}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 28   and name HD2 ))
  ASSI { 1914}
    (  segid "    " and resid 21   and name HD1%)
    (  segid "    " and resid 22   and name HD% )
       3.900     2.100     2.100 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.20866E-02 ppm1      0.824 ppm2      7.320 CV     1
  OR { 1914}
    (  segid "    " and resid 21   and name HD1%)
    (( segid "    " and resid 17   and name HE21))
  ASSI { 1917}
    (( segid "    " and resid 26   and name HG  ))
    (( segid "    " and resid 29   and name HD1 ))
       3.600     1.800     2.400 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      1.511 ppm2      2.871 CV     1
  OR { 1917}
    (( segid "    " and resid 26   and name HG  ))
    (( segid "    " and resid 33   and name HB2 ))
  ASSI {  284}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HB1 ))
       3.500     1.700     2.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      8.268 ppm2      1.468 CV     1
  OR {  284}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 28   and name HG2 ))
  ASSI {  285}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HB2 ))
       3.100     1.300     1.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.20866E-02 ppm1      8.268 ppm2      1.770 CV     1
  OR {  285}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 23   and name HG1 ))
  ASSI {  286}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HG2 ))
       4.300     2.500     1.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.96127E-03 ppm1      8.268 ppm2      2.275 CV     1
  OR {  286}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 23   and name HB1 ))
  ASSI {  291}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
       3.200     1.400     2.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.30048E-02 ppm1      8.266 ppm2      4.049 CV     1
  OR {  291}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 28   and name HA  ))
  ASSI {  294}
    (( segid "    " and resid 22   and name HN  ))
    (  segid "    " and resid 22   and name HE% )
       4.400     2.600     1.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.52305E-03 ppm1      8.263 ppm2      7.055 CV     1
  OR {  294}
    (( segid "    " and resid 22   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  296}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       2.600     0.800     1.400 peak   296 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      8.268 ppm2      7.987 CV     1
  OR {  296}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
  OR {  296}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HE21))
  ASSI { 1921}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 80   and name HA  ))
       3.500     1.700     2.400 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.26709E-02 ppm1      4.710 ppm2      4.124 CV     1
  OR { 1921}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 86   and name HA  ))
  OR { 1921}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 68   and name HA  ))
  OR { 1921}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 69   and name HA  ))
  ASSI { 1922}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 81   and name HB2 ))
       2.600     0.800     1.300 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      4.712 ppm2      3.125 CV     1
  OR { 1922}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HB2 ))
  ASSI { 1929}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       2.400     0.600     1.100 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.26292E-02 ppm1      4.712 ppm2      8.257 CV     1
  OR { 1929}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
  ASSI { 1940}
    (( segid "    " and resid 23   and name HA  ))
    (  segid "    " and resid 21   and name HD1%)
       6.000     4.200     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.13689E-03 ppm1      4.565 ppm2      0.859 CV     1
  OR { 1940}
    (( segid "    " and resid 23   and name HA  ))
    (  segid "    " and resid 30   and name HD1%)
  ASSI { 1942}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       4.600     2.800     1.400 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.49384E-03 ppm1      4.555 ppm2      7.969 CV     1
  OR { 1942}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 20   and name HE21))
  ASSI { 1946}
    (( segid "    " and resid 23   and name HB1 ))
    (( segid "    " and resid 23   and name HA  ))
       2.900     1.100     1.600 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      2.269 ppm2      4.553 CV     1
  OR { 1946}
    (( segid "    " and resid 23   and name HB1 ))
    (( segid "    " and resid 27   and name HA1 ))
  ASSI { 1949}
    (( segid "    " and resid 23   and name HB1 ))
    (( segid "    " and resid 24   and name HN  ))
       3.400     1.600     2.300 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.22397E-02 ppm1      2.280 ppm2      8.557 CV     1
  OR { 1949}
    (( segid "    " and resid 23   and name HB1 ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI { 1950}
    (( segid "    " and resid 23   and name HB1 ))
    (( segid "    " and resid 21   and name HN  ))
       3.600     1.800     2.400 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.11240E-02 ppm1      2.269 ppm2      7.992 CV     1
  OR { 1950}
    (( segid "    " and resid 23   and name HB1 ))
    (( segid "    " and resid 20   and name HE21))
  ASSI { 1958}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
       3.500     1.700     2.500 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.31856E-02 ppm1      1.950 ppm2      7.953 CV     1
  OR { 1958}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 20   and name HE21))
  ASSI { 1961}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 23   and name HA  ))
       6.000     4.200     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.38811E-04 ppm1      2.731 ppm2      4.555 CV     1
  OR { 1961}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 27   and name HA1 ))
  ASSI { 1963}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 22   and name HB1 ))
       6.000     4.200     0.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.10210E-03 ppm1      2.721 ppm2      3.066 CV     1
  OR { 1963}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 28   and name HE1 ))
  ASSI { 1965}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 23   and name HB1 ))
       3.400     1.600     2.300 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.49245E-03 ppm1      2.720 ppm2      2.268 CV     1
  OR { 1965}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 17   and name HG1 ))
  ASSI { 1968}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 22   and name HN  ))
       4.200     2.400     1.800 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.72479E-04 ppm1      2.729 ppm2      8.266 CV     1
  OR { 1968}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 28   and name HN  ))
  ASSI { 1969}
    (( segid "    " and resid 23   and name HD1 ))
    (  segid "    " and resid 22   and name HD% )
       6.000     4.200     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.10851E-03 ppm1      2.727 ppm2      7.323 CV     1
  OR { 1969}
    (( segid "    " and resid 23   and name HD1 ))
    (( segid "    " and resid 17   and name HE21))
  ASSI { 1972}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 23   and name HA  ))
       5.700     3.900     0.300 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.84020E-04 ppm1      3.524 ppm2      4.550 CV     1
  OR { 1972}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 27   and name HA1 ))
  ASSI { 1975}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 28   and name HE1 ))
       5.100     3.300     0.900 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.87224E-04 ppm1      3.534 ppm2      2.993 CV     1
  OR { 1975}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 31   and name HB1 ))
  ASSI { 1979}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 28   and name HG2 ))
       4.300     2.500     1.700 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.85135E-04 ppm1      3.521 ppm2      1.449 CV     1
  OR { 1979}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 21   and name HB1 ))
  ASSI { 1981}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 22   and name HN  ))
       4.800     3.000     1.200 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.12951E-03 ppm1      3.524 ppm2      8.259 CV     1
  OR { 1981}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 28   and name HN  ))
  ASSI { 1982}
    (( segid "    " and resid 23   and name HD2 ))
    (  segid "    " and resid 22   and name HD% )
       5.100     3.300     0.900 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.32413E-03 ppm1      3.521 ppm2      7.298 CV     1
  OR { 1982}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 17   and name HE21))
  ASSI { 1985}
    (( segid "    " and resid 23   and name HG1 ))
    (( segid "    " and resid 27   and name HA1 ))
       3.300     1.500     2.200 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.10795E-02 ppm1      1.797 ppm2      4.561 CV     1
  OR { 1985}
    (( segid "    " and resid 23   and name HG1 ))
    (( segid "    " and resid 23   and name HA  ))
  ASSI { 1987}
    (( segid "    " and resid 23   and name HG1 ))
    (( segid "    " and resid 23   and name HB1 ))
       2.000     0.200     0.800 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.54948E-02 ppm1      1.807 ppm2      2.242 CV     1
  OR { 1987}
    (( segid "    " and resid 23   and name HG1 ))
    (( segid "    " and resid 20   and name HG1 ))
  OR { 1987}
    (( segid "    " and resid 23   and name HG1 ))
    (( segid "    " and resid 17   and name HG1 ))
  ASSI { 1988}
    (( segid "    " and resid 29   and name HG1 ))
    (( segid "    " and resid 29   and name HE  ))
       2.700     0.900     1.500 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.21701E-02 ppm1      1.812 ppm2      7.132 CV     1
  OR { 1988}
    (( segid "    " and resid 43   and name HB1 ))
    (( segid "    " and resid 43   and name HE21))
  OR { 1988}
    (( segid "    " and resid 43   and name HB1 ))
    (( segid "    " and resid 45   and name HN  ))
  ASSI { 1989}
    (( segid "    " and resid 43   and name HB1 ))
    (( segid "    " and resid 44   and name HN  ))
       2.800     1.000     1.500 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.12075E-02 ppm1      1.811 ppm2      7.366 CV     1
  OR { 1989}
    (( segid "    " and resid 29   and name HG1 ))
    (  segid "    " and resid 75   and name HE% )
  ASSI { 1990}
    (( segid "    " and resid 29   and name HG1 ))
    (( segid "    " and resid 29   and name HN  ))
       4.700     2.900     1.300 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.55087E-03 ppm1      1.812 ppm2      8.057 CV     1
  OR { 1990}
    (( segid "    " and resid 23   and name HG1 ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI { 1994}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 27   and name HA1 ))
       2.500     0.700     1.200 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.63434E-03 ppm1      1.900 ppm2      4.574 CV     1
  OR { 1994}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 23   and name HA  ))
  ASSI { 2002}
    (( segid "    " and resid 65   and name HG  ))
    (( segid "    " and resid 66   and name HN  ))
       4.200     2.400     1.800 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.81937E-03 ppm1      1.914 ppm2      8.316 CV     1
  OR { 2002}
    (( segid "    " and resid 65   and name HG  ))
    (( segid "    " and resid 67   and name HN  ))
  OR { 2002}
    (( segid "    " and resid 65   and name HG  ))
    (( segid "    " and resid 82   and name HN  ))
  ASSI {  299}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 28   and name HG2 ))
       6.000     4.200     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.95986E-04 ppm1      8.588 ppm2      1.486 CV     1
  OR {  299}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 21   and name HG  ))
  ASSI {  305}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 24   and name HA1 ))
       3.300     1.500     2.200 peak   305 spectrum    1 weight  0.10000E+01 volume  0.12868E-02 ppm1      8.589 ppm2      3.992 CV     1
  OR {  305}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 28   and name HA  ))
  ASSI {  307}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HA  ))
       3.200     1.400     2.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.96127E-03 ppm1      8.589 ppm2      4.562 CV     1
  OR {  307}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 27   and name HA1 ))
  ASSI {  311}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 20   and name HE21))
       5.500     3.700     0.500 peak   311 spectrum    1 weight  0.10000E+01 volume  0.23092E-03 ppm1      8.589 ppm2      7.963 CV     1
  OR {  311}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  312}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 28   and name HN  ))
       5.000     3.200     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.18919E-03 ppm1      8.589 ppm2      8.264 CV     1
  OR {  312}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI { 2016}
    (( segid "    " and resid 24   and name HA2 ))
    (( segid "    " and resid 28   and name HD2 ))
       4.300     2.500     1.700 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.54670E-03 ppm1      4.194 ppm2      1.811 CV     1
  OR { 2016}
    (( segid "    " and resid 24   and name HA2 ))
    (( segid "    " and resid 23   and name HG1 ))
  ASSI {  316}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 28   and name HD2 ))
       6.000     4.200     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.63988E-04 ppm1      8.837 ppm2      1.772 CV     1
  OR {  316}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 26   and name HB1 ))
  OR {  316}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 23   and name HG1 ))
  ASSI {  320}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HA1 ))
       3.300     1.500     2.200 peak   320 spectrum    1 weight  0.10000E+01 volume  0.60932E-03 ppm1      8.842 ppm2      4.020 CV     1
  OR {  320}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 25   and name HA  ))
  ASSI {  321}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 27   and name HA1 ))
       6.000     4.200     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.17110E-06 ppm1      8.836 ppm2      4.582 CV     1
  OR {  321}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 23   and name HA  ))
  ASSI { 2019}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 28   and name HD2 ))
       2.100     0.300     0.900 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.73730E-02 ppm1      4.023 ppm2      1.748 CV     1
  OR { 2019}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 26   and name HB1 ))
  ASSI { 2025}
    (( segid "    " and resid 25   and name HB1 ))
    (( segid "    " and resid 25   and name HA  ))
       2.200     0.400     0.900 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.88752E-02 ppm1      2.066 ppm2      4.038 CV     1
  OR { 2025}
    (( segid "    " and resid 25   and name HB1 ))
    (( segid "    " and resid 24   and name HA1 ))
  ASSI { 2029}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HA  ))
       2.700     0.900     1.400 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.64266E-02 ppm1      2.113 ppm2      4.034 CV     1
  OR { 2029}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 24   and name HA1 ))
  ASSI { 2033}
    (( segid "    " and resid 25   and name HG2 ))
    (( segid "    " and resid 25   and name HA  ))
       2.800     1.000     1.600 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.22397E-02 ppm1      2.396 ppm2      4.030 CV     1
  OR { 2033}
    (( segid "    " and resid 25   and name HG2 ))
    (( segid "    " and resid 24   and name HA1 ))
  ASSI {  326}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 26   and name HD1%)
       4.900     3.100     1.100 peak   326 spectrum    1 weight  0.10000E+01 volume  0.59540E-03 ppm1      9.099 ppm2      0.892 CV     1
  OR {  326}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 30   and name HD1%)
  ASSI {  328}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 26   and name HB1 ))
       3.100     1.300     1.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.81660E-03 ppm1      9.092 ppm2      1.774 CV     1
  OR {  328}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 23   and name HG1 ))
  ASSI {  329}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 25   and name HA  ))
       4.400     2.600     1.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.26570E-03 ppm1      9.097 ppm2      4.028 CV     1
  OR {  329}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 24   and name HA1 ))
  ASSI { 2036}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 29   and name HD2 ))
       2.300     0.500     3.700 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.13522E-01 ppm1      4.290 ppm2      2.206 CV     1
  OR { 2036}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 71   and name HB  ))
  ASSI { 2037}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 29   and name HB1 ))
       2.000     0.200     4.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.79848E-02 ppm1      4.290 ppm2      2.017 CV     1
  OR { 2037}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 30   and name HB  ))
  OR { 2037}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 28   and name HB2 ))
  ASSI { 2039}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 26   and name HG  ))
       3.600     1.800     2.400 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.77760E-03 ppm1      4.300 ppm2      1.516 CV     1
  OR { 2039}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 29   and name HG2 ))
  ASSI { 2040}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 26   and name HD1%)
       2.500     0.700     1.200 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      4.290 ppm2      0.918 CV     1
  OR { 2040}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 30   and name HD1%)
  ASSI { 2047}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 27   and name HA1 ))
       5.100     3.300     0.900 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.34082E-03 ppm1      0.927 ppm2      4.542 CV     1
  OR { 2047}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 23   and name HA  ))
  OR { 2047}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 76   and name HA  ))
  ASSI { 2049}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 71   and name HA  ))
       3.800     2.000     2.200 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.79016E-03 ppm1      0.921 ppm2      3.760 CV     1
  OR { 2049}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 30   and name HA  ))
  ASSI { 2050}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 25   and name HA  ))
       3.300     1.500     2.700 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.42290E-02 ppm1      0.924 ppm2      4.060 CV     1
  OR { 2050}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 74   and name HA  ))
  OR { 2050}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 72   and name HB1 ))
  OR { 2050}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 39   and name HA  ))
  ASSI { 2051}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 75   and name HB1 ))
       3.800     2.000     2.200 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.12381E-02 ppm1      0.924 ppm2      3.082 CV     1
  OR { 2051}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 73   and name HB1 ))
  OR { 2051}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 78   and name HE1 ))
  ASSI { 2053}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 29   and name HD2 ))
       3.300     1.500     2.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.29074E-02 ppm1      0.925 ppm2      2.216 CV     1
  OR { 2053}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 71   and name HB  ))
  OR { 2053}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 67   and name HG1 ))
  ASSI { 2054}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 29   and name HB1 ))
       2.900     1.100     1.700 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      0.924 ppm2      1.981 CV     1
  OR { 2054}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 23   and name HB2 ))
  ASSI { 2056}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 26   and name HG  ))
       2.200     0.400     1.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.66632E-02 ppm1      0.921 ppm2      1.510 CV     1
  OR { 2056}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 29   and name HG2 ))
  ASSI { 2057}
    (  segid "    " and resid 26   and name HD1%)
    (  segid "    " and resid 71   and name HG2%)
       2.700     0.900     1.400 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.31856E-02 ppm1      0.924 ppm2      1.153 CV     1
  OR { 2057}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 34   and name HG12))
  ASSI { 2062}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 29   and name HN  ))
       4.800     3.000     1.200 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.39368E-03 ppm1      0.926 ppm2      8.072 CV     1
  OR { 2062}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 75   and name HN  ))
  ASSI { 2069}
    (( segid "    " and resid 26   and name HG  ))
    (( segid "    " and resid 29   and name HN  ))
       3.400     1.600     2.400 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.21006E-02 ppm1      1.503 ppm2      8.058 CV     1
  OR { 2069}
    (( segid "    " and resid 26   and name HG  ))
    (( segid "    " and resid 75   and name HN  ))
  ASSI {  335}
    (( segid "    " and resid 27   and name HN  ))
    (  segid "    " and resid 30   and name HD1%)
       4.300     2.500     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.61068E-03 ppm1      7.452 ppm2      0.864 CV     1
  OR {  335}
    (( segid "    " and resid 27   and name HN  ))
    (  segid "    " and resid 21   and name HD1%)
  ASSI {  336}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 26   and name HG  ))
       3.900     2.100     2.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.47993E-03 ppm1      7.452 ppm2      1.527 CV     1
  OR {  336}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 29   and name HG2 ))
  ASSI {  337}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 26   and name HB1 ))
       3.000     1.200     1.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.13494E-02 ppm1      7.452 ppm2      1.785 CV     1
  OR {  337}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 23   and name HG1 ))
  OR {  337}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 28   and name HD2 ))
  ASSI {  338}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       3.700     1.900     2.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.12812E-02 ppm1      7.452 ppm2      2.006 CV     1
  OR {  338}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 30   and name HB  ))
  OR {  338}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 28   and name HB2 ))
  ASSI {  343}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 26   and name HA  ))
       4.000     2.200     2.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.31717E-03 ppm1      7.453 ppm2      4.257 CV     1
  OR {  343}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 29   and name HA  ))
  ASSI {  344}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 27   and name HA1 ))
       2.900     1.100     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.57032E-03 ppm1      7.452 ppm2      4.562 CV     1
  OR {  344}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 23   and name HA  ))
  ASSI {  349}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       3.900     2.100     2.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.51053E-03 ppm1      7.453 ppm2      8.024 CV     1
  OR {  349}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  351}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       4.500     2.700     1.500 peak   351 spectrum    1 weight  0.10000E+01 volume  0.24344E-03 ppm1      7.455 ppm2      8.564 CV     1
  OR {  351}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI { 2074}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 30   and name HB  ))
       3.200     1.400     2.100 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.62879E-03 ppm1      3.861 ppm2      2.043 CV     1
  OR { 2074}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 28   and name HB2 ))
  ASSI { 2075}
    (( segid "    " and resid 27   and name HA2 ))
    (  segid "    " and resid 30   and name HD1%)
       3.400     1.600     2.400 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.43959E-03 ppm1      3.860 ppm2      0.865 CV     1
  OR { 2075}
    (( segid "    " and resid 27   and name HA2 ))
    (  segid "    " and resid 21   and name HD1%)
  ASSI { 2076}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 23   and name HG1 ))
       5.000     3.200     1.000 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.23231E-03 ppm1      3.850 ppm2      1.782 CV     1
  OR { 2076}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 26   and name HB1 ))
  OR { 2076}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 28   and name HD2 ))
  ASSI { 2077}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 26   and name HG  ))
       6.000     4.200     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.65800E-05 ppm1      3.861 ppm2      1.500 CV     1
  OR { 2077}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 28   and name HG2 ))
  OR { 2077}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 29   and name HG2 ))
  ASSI { 2079}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 28   and name HN  ))
       4.000     2.200     2.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.51888E-03 ppm1      3.860 ppm2      8.285 CV     1
  OR { 2079}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI { 2080}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 20   and name HE21))
       5.100     3.300     0.900 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.42567E-03 ppm1      3.864 ppm2      8.005 CV     1
  OR { 2080}
    (( segid "    " and resid 27   and name HA2 ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI { 2087}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 30   and name HB  ))
       5.000     3.200     1.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.19614E-03 ppm1      4.562 ppm2      2.026 CV     1
  OR { 2087}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 28   and name HB2 ))
  OR { 2087}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 29   and name HB1 ))
  ASSI { 2088}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 23   and name HG1 ))
       5.500     3.700     0.500 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.48688E-04 ppm1      4.562 ppm2      1.768 CV     1
  OR { 2088}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 26   and name HB1 ))
  OR { 2088}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 28   and name HD2 ))
  ASSI { 2089}
    (( segid "    " and resid 27   and name HA1 ))
    (  segid "    " and resid 30   and name HD1%)
       4.800     3.000     1.200 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.36029E-03 ppm1      4.561 ppm2      0.865 CV     1
  OR { 2089}
    (( segid "    " and resid 27   and name HA1 ))
    (  segid "    " and resid 21   and name HD1%)
  ASSI { 2091}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 28   and name HN  ))
       3.400     1.600     2.300 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.34360E-03 ppm1      4.562 ppm2      8.281 CV     1
  OR { 2091}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI { 2092}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 20   and name HE21))
       5.400     3.600     0.600 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.21423E-03 ppm1      4.561 ppm2      7.990 CV     1
  OR { 2092}
    (( segid "    " and resid 27   and name HA1 ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  354}
    (( segid "    " and resid 28   and name HN  ))
    (  segid "    " and resid 30   and name HD1%)
       5.100     3.300     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.27683E-03 ppm1      8.262 ppm2      0.854 CV     1
  OR {  354}
    (( segid "    " and resid 28   and name HN  ))
    (  segid "    " and resid 21   and name HD1%)
  ASSI {  355}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 26   and name HG  ))
       4.100     2.300     1.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.86250E-03 ppm1      8.264 ppm2      1.528 CV     1
  OR {  355}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 29   and name HG2 ))
  ASSI {  356}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 28   and name HD2 ))
       3.300     1.500     2.200 peak   356 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      8.266 ppm2      1.760 CV     1
  OR {  356}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 20   and name HB2 ))
  ASSI {  357}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 23   and name HB1 ))
       5.100     3.300     0.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.84993E-03 ppm1      8.266 ppm2      2.306 CV     1
  OR {  357}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 20   and name HG2 ))
  ASSI {  358}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 28   and name HB2 ))
       2.500     0.700     1.200 peak   358 spectrum    1 weight  0.10000E+01 volume  0.20866E-02 ppm1      8.262 ppm2      2.007 CV     1
  OR {  358}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
  ASSI {  360}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 28   and name HE1 ))
       5.600     3.800     0.400 peak   360 spectrum    1 weight  0.10000E+01 volume  0.33386E-03 ppm1      8.268 ppm2      3.039 CV     1
  OR {  360}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 22   and name HB1 ))
  ASSI {  361}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 28   and name HA  ))
       2.800     1.000     1.600 peak   361 spectrum    1 weight  0.10000E+01 volume  0.11365E-02 ppm1      8.262 ppm2      4.022 CV     1
  OR {  361}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 25   and name HA  ))
  OR {  361}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 24   and name HA1 ))
  ASSI {  362}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 26   and name HA  ))
       3.700     1.900     2.300 peak   362 spectrum    1 weight  0.10000E+01 volume  0.76650E-03 ppm1      8.264 ppm2      4.245 CV     1
  OR {  362}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 29   and name HA  ))
  ASSI { 2105}
    (( segid "    " and resid 67   and name HA  ))
    (( segid "    " and resid 70   and name HN  ))
       2.900     1.100     1.700 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.21423E-02 ppm1      4.009 ppm2      8.545 CV     1
  OR { 2105}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI { 2106}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.500     0.700     1.200 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.36725E-02 ppm1      4.020 ppm2      8.290 CV     1
  OR { 2106}
    (( segid "    " and resid 67   and name HA  ))
    (( segid "    " and resid 67   and name HN  ))
  OR { 2106}
    (( segid "    " and resid 67   and name HA  ))
    (( segid "    " and resid 66   and name HN  ))
  OR { 2106}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI { 2107}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.700     0.900     1.400 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.30743E-02 ppm1      4.020 ppm2      8.064 CV     1
  OR { 2107}
    (( segid "    " and resid 67   and name HA  ))
    (( segid "    " and resid 68   and name HN  ))
  ASSI { 2112}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 80   and name HA  ))
       2.100     0.300     0.900 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.10377E-01 ppm1      2.017 ppm2      4.075 CV     1
  OR { 2112}
    (( segid "    " and resid 28   and name HB1 ))
    (( segid "    " and resid 25   and name HA  ))
  ASSI { 2114}
    (( segid "    " and resid 28   and name HB1 ))
    (( segid "    " and resid 28   and name HN  ))
       3.500     1.700     2.400 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      1.958 ppm2      8.292 CV     1
  OR { 2114}
    (( segid "    " and resid 28   and name HB1 ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI { 2121}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 28   and name HA  ))
       2.700     0.900     1.400 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.26431E-02 ppm1      1.481 ppm2      4.031 CV     1
  OR { 2121}
    (( segid "    " and resid 78   and name HG1 ))
    (( segid "    " and resid 72   and name HB1 ))
  OR { 2121}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 25   and name HA  ))
  OR { 2121}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 24   and name HA1 ))
  ASSI { 2122}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 28   and name HE1 ))
       2.400     0.600     1.100 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.28796E-02 ppm1      1.484 ppm2      3.028 CV     1
  OR { 2122}
    (( segid "    " and resid 78   and name HG1 ))
    (( segid "    " and resid 78   and name HE1 ))
  ASSI { 2123}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 28   and name HD2 ))
       1.800     0.000     4.200 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.11546E+00 ppm1      1.486 ppm2      1.777 CV     1
  OR { 2123}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 20   and name HB2 ))
  OR { 2123}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 23   and name HG1 ))
  ASSI { 2125}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 28   and name HN  ))
       3.200     1.400     2.100 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.29074E-02 ppm1      1.484 ppm2      8.295 CV     1
  OR { 2125}
    (( segid "    " and resid 78   and name HG1 ))
    (( segid "    " and resid 73   and name HN  ))
  OR { 2125}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 22   and name HN  ))
  OR { 2125}
    (( segid "    " and resid 78   and name HG1 ))
    (( segid "    " and resid 82   and name HN  ))
  ASSI { 2126}
    (( segid "    " and resid 78   and name HG1 ))
    (( segid "    " and resid 78   and name HN  ))
       1.900     0.100     4.100 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      1.487 ppm2      8.121 CV     1
  OR { 2126}
    (( segid "    " and resid 78   and name HG1 ))
    (( segid "    " and resid 80   and name HN  ))
  OR { 2126}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI { 2128}
    (( segid "    " and resid 28   and name HG2 ))
    (  segid "    " and resid 31   and name HE% )
       3.800     2.000     2.200 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      1.489 ppm2      7.053 CV     1
  OR { 2128}
    (( segid "    " and resid 28   and name HG2 ))
    (( segid "    " and resid 32   and name HD22))
  OR { 2128}
    (( segid "    " and resid 78   and name HG1 ))
    (( segid "    " and resid 68   and name HE22))
  ASSI {  373}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HG2 ))
       4.300     2.500     1.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.88893E-03 ppm1      8.046 ppm2      1.519 CV     1
  OR {  373}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HG2 ))
  OR {  373}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 26   and name HG  ))
  ASSI {  374}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HG1 ))
       3.400     1.600     2.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.29491E-02 ppm1      8.053 ppm2      1.791 CV     1
  OR {  374}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HD2 ))
  OR {  374}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 23   and name HG1 ))
  ASSI {  375}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HD2 ))
       3.800     2.000     2.200 peak   375 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      8.051 ppm2      2.225 CV     1
  OR {  375}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 20   and name HG1 ))
  ASSI {  376}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       2.500     0.700     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.32552E-02 ppm1      8.047 ppm2      2.003 CV     1
  OR {  376}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HB1 ))
  OR {  376}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 30   and name HB  ))
  ASSI {  378}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HA  ))
       2.700     0.900     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.22814E-02 ppm1      8.045 ppm2      4.040 CV     1
  OR {  378}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 25   and name HA  ))
  ASSI {  381}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 29   and name HA  ))
       2.800     1.000     1.500 peak   381 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      8.047 ppm2      4.248 CV     1
  OR {  381}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 26   and name HA  ))
  ASSI { 2133}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HG2 ))
       2.400     0.600     1.200 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.57032E-02 ppm1      4.230 ppm2      1.509 CV     1
  OR { 2133}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 28   and name HG2 ))
  ASSI { 2134}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HB1 ))
       2.000     0.200     4.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.18084E-01 ppm1      4.230 ppm2      1.984 CV     1
  OR { 2134}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 28   and name HB1 ))
  ASSI { 2141}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 26   and name HA  ))
       2.200     0.400     1.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.54670E-02 ppm1      1.998 ppm2      4.244 CV     1
  OR { 2141}
    (( segid "    " and resid 29   and name HB1 ))
    (( segid "    " and resid 29   and name HA  ))
  ASSI { 2153}
    (( segid "    " and resid 29   and name HD1 ))
    (( segid "    " and resid 29   and name HG2 ))
       3.200     1.400     2.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.47576E-03 ppm1      2.864 ppm2      1.500 CV     1
  OR { 2153}
    (( segid "    " and resid 29   and name HD1 ))
    (( segid "    " and resid 26   and name HG  ))
  ASSI { 2154}
    (( segid "    " and resid 29   and name HD1 ))
    (  segid "    " and resid 26   and name HD1%)
       2.600     0.800     1.300 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.21562E-02 ppm1      2.869 ppm2      0.908 CV     1
  OR { 2154}
    (( segid "    " and resid 29   and name HD1 ))
    (  segid "    " and resid 30   and name HD1%)
  ASSI { 2158}
    (( segid "    " and resid 29   and name HD2 ))
    (( segid "    " and resid 26   and name HA  ))
       4.600     2.800     1.400 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.26292E-03 ppm1      2.231 ppm2      4.247 CV     1
  OR { 2158}
    (( segid "    " and resid 29   and name HD2 ))
    (( segid "    " and resid 29   and name HA  ))
  ASSI { 2162}
    (( segid "    " and resid 29   and name HD2 ))
    (  segid "    " and resid 26   and name HD1%)
       4.100     2.300     1.900 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.73033E-03 ppm1      2.232 ppm2      0.906 CV     1
  OR { 2162}
    (( segid "    " and resid 29   and name HD2 ))
    (  segid "    " and resid 30   and name HD1%)
  ASSI { 2165}
    (( segid "    " and resid 29   and name HG1 ))
    (( segid "    " and resid 29   and name HA  ))
       2.200     0.400     1.000 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.45628E-02 ppm1      1.811 ppm2      4.245 CV     1
  OR { 2165}
    (( segid "    " and resid 29   and name HG1 ))
    (( segid "    " and resid 26   and name HA  ))
  ASSI {  390}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
       2.100     0.300     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.40063E-02 ppm1      8.537 ppm2      1.993 CV     1
  OR {  390}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HB  ))
  ASSI {  391}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HD1 ))
       4.200     2.400     1.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.78179E-03 ppm1      8.535 ppm2      2.841 CV     1
  OR {  391}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 33   and name HB2 ))
  ASSI {  397}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       3.000     1.200     1.800 peak   397 spectrum    1 weight  0.10000E+01 volume  0.61628E-03 ppm1      8.534 ppm2      8.077 CV     1
  OR {  397}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI { 2178}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 34   and name HG11))
       4.100     2.300     1.900 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.90280E-03 ppm1      3.781 ppm2      1.818 CV     1
  OR { 2178}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 29   and name HG1 ))
  ASSI { 2182}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       4.100     2.300     1.900 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.81241E-03 ppm1      3.778 ppm2      8.357 CV     1
  OR { 2182}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 2183}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 39   and name HE3 ))
       5.100     3.300     0.900 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.41038E-03 ppm1      3.790 ppm2      7.324 CV     1
  OR { 2183}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 42   and name HD1 ))
  ASSI { 2184}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 32   and name HD22))
       3.300     1.500     2.200 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.20588E-02 ppm1      3.784 ppm2      7.072 CV     1
  OR { 2184}
    (( segid "    " and resid 30   and name HA  ))
    (  segid "    " and resid 9    and name HD% )
  ASSI { 2187}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 27   and name HA1 ))
       4.000     2.200     2.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.66496E-03 ppm1      0.876 ppm2      4.561 CV     1
  OR { 2187}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 76   and name HA  ))
  ASSI { 2188}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 74   and name HA  ))
       5.100     3.300     0.900 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.40759E-03 ppm1      0.883 ppm2      4.097 CV     1
  OR { 2188}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 66   and name HA  ))
  OR { 2188}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 39   and name HA  ))
  OR { 2188}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 54   and name HA  ))
  OR { 2188}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 68   and name HA  ))
  OR { 2188}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 72   and name HB1 ))
  ASSI { 2190}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HA  ))
       3.800     2.000     2.200 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.58566E-03 ppm1      0.888 ppm2      3.401 CV     1
  OR { 2190}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 75   and name HB2 ))
  ASSI { 2191}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 53   and name HE1 ))
       3.900     2.100     2.100 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.11546E-02 ppm1      0.881 ppm2      3.008 CV     1
  OR { 2191}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 31   and name HB1 ))
  OR { 2191}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 63   and name HD2 ))
  ASSI { 2192}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 34   and name HB  ))
       4.900     3.100     1.100 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.10642E-02 ppm1      0.878 ppm2      2.804 CV     1
  OR { 2192}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 33   and name HB2 ))
  ASSI { 2193}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 57   and name HG1 ))
       3.800     2.000     2.200 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.62879E-03 ppm1      0.887 ppm2      2.527 CV     1
  OR { 2193}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 33   and name HG1 ))
  ASSI { 2194}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 46   and name HG2 ))
       2.500     0.700     1.300 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.76231E-02 ppm1      0.879 ppm2      2.075 CV     1
  OR { 2194}
    (  segid "    " and resid 50   and name HD1%)
    (  segid "    " and resid 57   and name HE% )
  ASSI { 2195}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 26   and name HG  ))
       2.500     0.700     1.300 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.23231E-02 ppm1      0.873 ppm2      1.503 CV     1
  OR { 2195}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 29   and name HG2 ))
  OR { 2195}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 53   and name HG1 ))
  ASSI { 2196}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HB  ))
       2.200     0.400     1.000 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.80403E-02 ppm1      0.887 ppm2      1.907 CV     1
  OR { 2196}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 46   and name HG1 ))
  OR { 2196}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 23   and name HB2 ))
  OR { 2196}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 53   and name HB1 ))
  ASSI { 2198}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 74   and name HB1 ))
       3.600     1.800     2.400 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.10155E-02 ppm1      0.883 ppm2      0.468 CV     1
  OR { 2198}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 46   and name HB1 ))
  ASSI { 2201}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 30   and name HN  ))
       4.000     2.200     2.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.13549E-02 ppm1      0.886 ppm2      8.527 CV     1
  OR { 2201}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 70   and name HN  ))
  ASSI { 2204}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 29   and name HE  ))
       2.900     1.100     3.100 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.19476E-02 ppm1      0.874 ppm2      7.124 CV     1
  OR { 2204}
    (  segid "    " and resid 30   and name HD1%)
    (( segid "    " and resid 43   and name HE21))
  OR { 2204}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 56   and name HD22))
  ASSI { 2208}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 7    and name HA  ))
       4.100     2.300     1.900 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.11685E-02 ppm1      0.725 ppm2      4.682 CV     1
  OR { 2208}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 17   and name HE22))
  OR { 2208}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 35   and name HA  ))
  ASSI { 2209}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 31   and name HA  ))
       4.300     2.500     1.700 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.53557E-03 ppm1      0.725 ppm2      4.124 CV     1
  OR { 2209}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 74   and name HA  ))
  ASSI { 2212}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 73   and name HB1 ))
       5.100     3.300     0.900 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.47993E-03 ppm1      0.725 ppm2      3.040 CV     1
  OR { 2212}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 9    and name HB1 ))
  ASSI { 2215}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 34   and name HG11))
       2.600     0.800     1.400 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.66632E-03 ppm1      0.722 ppm2      1.800 CV     1
  OR { 2215}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 70   and name HB2 ))
  ASSI { 2222}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 33   and name HN  ))
       4.100     2.300     1.900 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.99184E-03 ppm1      0.725 ppm2      8.354 CV     1
  OR { 2222}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 34   and name HN  ))
  OR { 2222}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 40   and name HN  ))
  ASSI { 2224}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 39   and name HZ2 ))
       6.000     4.200     0.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.16832E-03 ppm1      0.724 ppm2      7.818 CV     1
  OR { 2224}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 41   and name HN  ))
  ASSI { 2225}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 39   and name HE3 ))
       3.100     1.300     1.900 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      0.724 ppm2      7.361 CV     1
  OR { 2225}
    (  segid "    " and resid 30   and name HG2%)
    (  segid "    " and resid 75   and name HE% )
  ASSI {  400}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 29   and name HG2 ))
       5.000     3.200     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.37142E-03 ppm1      8.119 ppm2      1.471 CV     1
  OR {  400}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 28   and name HG2 ))
  ASSI {  401}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 23   and name HB1 ))
       5.000     3.200     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.69139E-03 ppm1      8.120 ppm2      2.245 CV     1
  OR {  401}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 20   and name HG1 ))
  OR {  401}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 17   and name HG1 ))
  ASSI {  402}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 30   and name HB  ))
       2.900     1.100     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      8.116 ppm2      2.038 CV     1
  OR {  402}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 28   and name HB2 ))
  ASSI {  403}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 31   and name HB1 ))
       4.000     2.200     2.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.95567E-03 ppm1      8.118 ppm2      2.975 CV     1
  OR {  403}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 32   and name HB1 ))
  ASSI {  404}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 31   and name HB2 ))
       2.600     0.800     1.400 peak   404 spectrum    1 weight  0.10000E+01 volume  0.81241E-03 ppm1      8.118 ppm2      3.218 CV     1
  OR {  404}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 32   and name HB2 ))
  ASSI { 2229}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
       2.500     0.700     1.300 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.40203E-02 ppm1      4.144 ppm2      3.236 CV     1
  OR { 2229}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HB2 ))
  ASSI { 2230}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HB1 ))
       2.500     0.700     1.200 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.40203E-02 ppm1      4.143 ppm2      2.960 CV     1
  OR { 2230}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HB1 ))
  ASSI { 2231}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 17   and name HG1 ))
       3.500     1.700     2.400 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.28517E-02 ppm1      4.142 ppm2      2.266 CV     1
  OR { 2231}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 23   and name HB1 ))
  ASSI { 2235}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 39   and name HE3 ))
       2.600     0.800     1.300 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.37142E-02 ppm1      4.146 ppm2      7.307 CV     1
  OR { 2235}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 17   and name HE21))
  ASSI {  413}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 30   and name HG2%)
       4.700     2.900     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.43680E-03 ppm1      8.691 ppm2      0.759 CV     1
  OR {  413}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 74   and name HD1%)
  ASSI {  414}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 29   and name HG2 ))
       5.100     3.300     0.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.16832E-03 ppm1      8.686 ppm2      1.508 CV     1
  OR {  414}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 38   and name HB% )
  OR {  414}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 14   and name HB% )
  ASSI {  415}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 30   and name HB  ))
       3.800     2.000     2.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.10169E-02 ppm1      8.688 ppm2      1.996 CV     1
  OR {  415}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 29   and name HB1 ))
  OR {  415}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 28   and name HB1 ))
  ASSI {  417}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 20   and name HG2 ))
       2.300     0.500     3.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.10266E-02 ppm1      8.688 ppm2      2.319 CV     1
  OR {  417}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 76   and name HB2 ))
  OR {  417}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 76   and name HG1 ))
  ASSI {  418}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 31   and name HB1 ))
       2.800     1.000     1.500 peak   418 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      8.691 ppm2      2.994 CV     1
  OR {  418}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HB1 ))
  ASSI {  419}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 32   and name HB2 ))
       3.300     1.500     2.100 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      8.691 ppm2      3.223 CV     1
  OR {  419}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 31   and name HB2 ))
  ASSI {  428}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       3.000     1.200     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.10155E-02 ppm1      8.691 ppm2      8.372 CV     1
  OR {  428}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 2245}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       3.000     1.200     1.800 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      4.619 ppm2      8.411 CV     1
  OR { 2245}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  430}
    (( segid "    " and resid 33   and name HN  ))
    (  segid "    " and resid 30   and name HG2%)
       4.600     2.800     1.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.65245E-03 ppm1      8.387 ppm2      0.694 CV     1
  OR {  430}
    (( segid "    " and resid 33   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
  OR {  430}
    (( segid "    " and resid 33   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {  433}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 34   and name HG11))
       3.300     1.500     2.100 peak   433 spectrum    1 weight  0.10000E+01 volume  0.37003E-02 ppm1      8.387 ppm2      1.865 CV     1
  OR {  433}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 5    and name HB  ))
  ASSI {  436}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HB2 ))
       3.900     2.100     2.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.66077E-03 ppm1      8.388 ppm2      3.226 CV     1
  OR {  436}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 31   and name HB2 ))
  ASSI {  438}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 29   and name HA  ))
       3.900     2.100     2.100 peak   438 spectrum    1 weight  0.10000E+01 volume  0.98906E-03 ppm1      8.386 ppm2      4.203 CV     1
  OR {  438}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 16   and name HA1 ))
  ASSI {  440}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 33   and name HA  ))
       3.800     2.000     2.200 peak   440 spectrum    1 weight  0.10000E+01 volume  0.34360E-03 ppm1      8.387 ppm2      4.949 CV     1
  OR {  440}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 75   and name HA  ))
  ASSI { 2252}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 5    and name HG12))
       4.100     2.300     1.900 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.41733E-03 ppm1      4.915 ppm2      1.107 CV     1
  OR { 2252}
    (( segid "    " and resid 33   and name HA  ))
    (  segid "    " and resid 71   and name HG1%)
  ASSI { 2254}
    (( segid "    " and resid 33   and name HA  ))
    (  segid "    " and resid 5    and name HD1%)
       4.000     2.200     2.000 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.34360E-03 ppm1      4.906 ppm2      0.664 CV     1
  OR { 2254}
    (( segid "    " and resid 33   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 2254}
    (( segid "    " and resid 33   and name HA  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 2255}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       3.800     2.000     2.200 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.30743E-03 ppm1      4.907 ppm2      8.374 CV     1
  OR { 2255}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 2261}
    (( segid "    " and resid 33   and name HB1 ))
    (( segid "    " and resid 33   and name HN  ))
       3.200     1.400     2.100 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.11143E-02 ppm1      2.386 ppm2      8.380 CV     1
  OR { 2261}
    (( segid "    " and resid 33   and name HB1 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 2263}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HA  ))
       3.400     1.600     2.300 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.43959E-03 ppm1      2.846 ppm2      4.950 CV     1
  OR { 2263}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 75   and name HA  ))
  ASSI { 2266}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 30   and name HG2%)
       4.000     2.200     2.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      2.821 ppm2      0.687 CV     1
  OR { 2266}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 2266}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 2268}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
       3.600     1.800     2.400 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      2.822 ppm2      8.371 CV     1
  OR { 2268}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 2270}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 33   and name HN  ))
       3.500     1.700     2.400 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.10113E-02 ppm1      2.559 ppm2      8.376 CV     1
  OR { 2270}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 2272}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 34   and name HG11))
       3.600     1.800     2.400 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.96682E-03 ppm1      2.570 ppm2      1.850 CV     1
  OR { 2272}
    (( segid "    " and resid 33   and name HG1 ))
    (( segid "    " and resid 29   and name HG1 ))
  ASSI {  448}
    (( segid "    " and resid 34   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       4.000     2.200     2.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      8.338 ppm2      0.697 CV     1
  OR {  448}
    (( segid "    " and resid 34   and name HN  ))
    (  segid "    " and resid 30   and name HG2%)
  OR {  448}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 5    and name HG11))
  OR {  448}
    (( segid "    " and resid 34   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {  450}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 34   and name HB  ))
       2.900     1.100     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.13299E-02 ppm1      8.340 ppm2      2.797 CV     1
  OR {  450}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 33   and name HB2 ))
  ASSI {  452}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 32   and name HA  ))
       3.400     1.600     2.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.89307E-03 ppm1      8.339 ppm2      4.629 CV     1
  OR {  452}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI {  455}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 17   and name HE21))
       5.300     3.500     0.700 peak   455 spectrum    1 weight  0.10000E+01 volume  0.23370E-03 ppm1      8.341 ppm2      7.325 CV     1
  OR {  455}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 39   and name HE3 ))
  ASSI { 2274}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 74   and name HA  ))
       4.100     2.300     1.900 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      5.489 ppm2      4.057 CV     1
  OR { 2274}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HB1 ))
  OR { 2274}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 39   and name HA  ))
  OR { 2274}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 8    and name HA  ))
  ASSI { 2276}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 9    and name HB1 ))
       4.000     2.200     2.000 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.88610E-03 ppm1      5.489 ppm2      3.048 CV     1
  OR { 2276}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 42   and name HB2 ))
  ASSI { 2280}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 38   and name HB% )
       3.900     2.100     2.100 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.66632E-03 ppm1      5.489 ppm2      1.526 CV     1
  OR { 2280}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 14   and name HB% )
  ASSI { 2282}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
       2.400     0.600     1.200 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      5.489 ppm2      0.678 CV     1
  OR { 2282}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 2284}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       3.300     1.500     2.200 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.51053E-03 ppm1      5.488 ppm2      8.352 CV     1
  OR { 2284}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
  OR { 2284}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI { 2289}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 35   and name HA  ))
       3.700     1.900     2.300 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.54809E-03 ppm1      2.779 ppm2      4.698 CV     1
  OR { 2289}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 17   and name HE22))
  OR { 2289}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 7    and name HA  ))
  ASSI { 2292}
    (( segid "    " and resid 34   and name HB  ))
    (  segid "    " and resid 38   and name HB% )
       4.300     2.500     1.700 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.11991E-02 ppm1      2.778 ppm2      1.510 CV     1
  OR { 2292}
    (( segid "    " and resid 34   and name HB  ))
    (  segid "    " and resid 14   and name HB% )
  ASSI { 2294}
    (( segid "    " and resid 34   and name HB  ))
    (  segid "    " and resid 30   and name HG2%)
       3.000     1.200     1.800 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.21423E-02 ppm1      2.781 ppm2      0.718 CV     1
  OR { 2294}
    (( segid "    " and resid 34   and name HB  ))
    (  segid "    " and resid 34   and name HD1%)
  ASSI { 2295}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 34   and name HN  ))
       3.100     1.300     1.900 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.92510E-03 ppm1      2.778 ppm2      8.347 CV     1
  OR { 2295}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 33   and name HN  ))
  OR { 2295}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 38   and name HN  ))
  OR { 2295}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI { 2297}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 39   and name HE3 ))
       2.700     0.900     1.500 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.10099E-02 ppm1      2.782 ppm2      7.338 CV     1
  OR { 2297}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 17   and name HE21))
  ASSI { 2300}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 7    and name HA  ))
       5.600     3.800     0.400 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.21562E-03 ppm1      0.678 ppm2      4.676 CV     1
  OR { 2300}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 35   and name HA  ))
  OR { 2300}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 17   and name HE22))
  ASSI { 2301}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 8    and name HB  ))
       3.700     1.900     2.300 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.48688E-03 ppm1      0.678 ppm2      4.399 CV     1
  OR { 2301}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 9    and name HA  ))
  ASSI { 2302}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 74   and name HA  ))
       3.300     1.500     2.100 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.33665E-03 ppm1      0.680 ppm2      4.080 CV     1
  OR { 2302}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 39   and name HA  ))
  OR { 2302}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 8    and name HA  ))
  OR { 2302}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 35   and name HB1 ))
  ASSI { 2304}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 39   and name HB1 ))
       6.000     4.200     0.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.18919E-03 ppm1      0.675 ppm2      3.423 CV     1
  OR { 2304}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 73   and name HB2 ))
  OR { 2304}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 75   and name HB2 ))
  ASSI { 2305}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 9    and name HB1 ))
       3.700     1.900     2.300 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.84716E-03 ppm1      0.680 ppm2      3.088 CV     1
  OR { 2305}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 42   and name HB2 ))
  OR { 2305}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 75   and name HB1 ))
  OR { 2305}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 73   and name HB1 ))
  ASSI { 2306}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HB  ))
       4.000     2.200     2.000 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.61628E-03 ppm1      0.680 ppm2      2.799 CV     1
  OR { 2306}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 33   and name HB2 ))
  ASSI { 2308}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 76   and name HB2 ))
       3.300     1.500     2.200 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.15580E-02 ppm1      0.680 ppm2      2.330 CV     1
  OR { 2308}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 76   and name HG1 ))
  OR { 2308}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 17   and name HB1 ))
  ASSI { 2311}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 38   and name HB% )
       3.300     1.500     2.200 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.10252E-02 ppm1      0.679 ppm2      1.559 CV     1
  OR { 2311}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 14   and name HB% )
  ASSI { 2318}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HN  ))
       4.600     2.800     1.400 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.41733E-03 ppm1      0.680 ppm2      8.362 CV     1
  OR { 2318}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 38   and name HN  ))
  OR { 2318}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 40   and name HN  ))
  ASSI { 2320}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 39   and name HE3 ))
       5.500     3.700     0.500 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.23927E-03 ppm1      0.680 ppm2      7.357 CV     1
  OR { 2320}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 17   and name HE21))
  ASSI { 2323}
    (( segid "    " and resid 34   and name HG11))
    (  segid "    " and resid 30   and name HG2%)
       2.200     0.400     0.900 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.22397E-02 ppm1      1.836 ppm2      0.707 CV     1
  OR { 2323}
    (( segid "    " and resid 34   and name HG11))
    (  segid "    " and resid 34   and name HD1%)
  ASSI { 2329}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 17   and name HE22))
       3.300     1.500     2.100 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.75677E-03 ppm1      1.255 ppm2      4.678 CV     1
  OR { 2329}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 35   and name HA  ))
  OR { 2329}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 7    and name HA  ))
  ASSI { 2331}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 39   and name HA  ))
       3.300     1.500     2.200 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.71364E-03 ppm1      1.255 ppm2      4.090 CV     1
  OR { 2331}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 36   and name HA  ))
  OR { 2331}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 74   and name HA  ))
  OR { 2331}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 35   and name HB1 ))
  ASSI { 2334}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 9    and name HB1 ))
       4.300     2.500     1.700 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.56896E-03 ppm1      1.255 ppm2      3.090 CV     1
  OR { 2334}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 42   and name HB2 ))
  OR { 2334}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 73   and name HB1 ))
  OR { 2334}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 75   and name HB1 ))
  ASSI { 2336}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 33   and name HG1 ))
       6.000     4.200     0.000 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.17528E-03 ppm1      1.256 ppm2      2.553 CV     1
  OR { 2336}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 41   and name HG1 ))
  ASSI { 2338}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 17   and name HB1 ))
       4.700     2.900     1.300 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.31160E-03 ppm1      1.255 ppm2      2.306 CV     1
  OR { 2338}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 76   and name HB2 ))
  OR { 2338}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 23   and name HB1 ))
  OR { 2338}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 76   and name HG1 ))
  OR { 2338}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 69   and name HB1 ))
  ASSI { 2339}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 34   and name HG11))
       2.400     0.600     1.100 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.25040E-02 ppm1      1.254 ppm2      1.800 CV     1
  OR { 2339}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 10   and name HG  ))
  ASSI { 2340}
    (  segid "    " and resid 34   and name HG2%)
    (  segid "    " and resid 38   and name HB% )
       2.000     0.200     0.800 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.65658E-02 ppm1      1.256 ppm2      1.518 CV     1
  OR { 2340}
    (  segid "    " and resid 34   and name HG2%)
    (  segid "    " and resid 14   and name HB% )
  ASSI { 2342}
    (  segid "    " and resid 34   and name HG2%)
    (  segid "    " and resid 34   and name HD1%)
       2.300     0.500     1.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.40620E-02 ppm1      1.255 ppm2      0.688 CV     1
  OR { 2342}
    (  segid "    " and resid 34   and name HG2%)
    (  segid "    " and resid 74   and name HD2%)
  OR { 2342}
    (  segid "    " and resid 34   and name HG2%)
    (  segid "    " and resid 30   and name HG2%)
  ASSI { 2349}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 38   and name HN  ))
       4.200     2.400     1.800 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.68862E-03 ppm1      1.255 ppm2      8.356 CV     1
  OR { 2349}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 34   and name HN  ))
  OR { 2349}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 40   and name HN  ))
  ASSI { 2351}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 41   and name HN  ))
       5.800     4.000     0.200 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.15580E-03 ppm1      1.257 ppm2      7.840 CV     1
  OR { 2351}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 39   and name HZ2 ))
  OR { 2351}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 41   and name HE22))
  ASSI {  460}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       4.500     2.700     1.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.40063E-03 ppm1     10.927 ppm2      0.677 CV     1
  OR {  460}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 5    and name HD1%)
  OR {  460}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {  463}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 10   and name HG  ))
       4.500     2.700     1.500 peak   463 spectrum    1 weight  0.10000E+01 volume  0.33247E-03 ppm1     10.929 ppm2      1.801 CV     1
  OR {  463}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 34   and name HG11))
  ASSI {  464}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 38   and name HB% )
       3.800     2.000     2.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.47576E-03 ppm1     10.926 ppm2      1.529 CV     1
  OR {  464}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 14   and name HB% )
  ASSI {  466}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 7    and name HB2 ))
       3.700     1.900     2.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.19197E-03 ppm1     10.926 ppm2      2.775 CV     1
  OR {  466}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 34   and name HB  ))
  OR {  466}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 37   and name HB1 ))
  ASSI {  468}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HB1 ))
       3.400     1.600     2.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.30326E-03 ppm1     10.927 ppm2      4.072 CV     1
  OR {  468}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
  OR {  468}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
  OR {  468}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
  ASSI {  469}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HB2 ))
       4.000     2.200     2.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.24483E-03 ppm1     10.927 ppm2      4.650 CV     1
  OR {  469}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HA  ))
  OR {  469}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 7    and name HA  ))
  OR {  469}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 14   and name HA  ))
  ASSI {  472}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 9    and name HD% )
       5.600     3.800     0.400 peak   472 spectrum    1 weight  0.10000E+01 volume  0.19058E-03 ppm1     10.927 ppm2      7.020 CV     1
  OR {  472}
    (( segid "    " and resid 35   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  474}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       5.400     3.600     0.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.14328E-03 ppm1     10.927 ppm2      8.339 CV     1
  OR {  474}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 2361}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 7    and name HB1 ))
       3.800     2.000     2.200 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.49801E-03 ppm1      4.052 ppm2      3.148 CV     1
  OR { 2361}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 36   and name HE2 ))
  ASSI { 2362}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 7    and name HB2 ))
       3.200     1.400     2.800 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.30465E-03 ppm1      4.064 ppm2      2.748 CV     1
  OR { 2362}
    (( segid "    " and resid 35   and name HB1 ))
    (( segid "    " and resid 34   and name HB  ))
  ASSI { 2364}
    (( segid "    " and resid 35   and name HB1 ))
    (  segid "    " and resid 14   and name HB% )
       2.700     0.900     1.400 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.80403E-03 ppm1      4.064 ppm2      1.520 CV     1
  OR { 2364}
    (( segid "    " and resid 35   and name HB1 ))
    (  segid "    " and resid 38   and name HB% )
  ASSI { 2367}
    (( segid "    " and resid 35   and name HB1 ))
    (  segid "    " and resid 5    and name HD1%)
       4.100     2.300     1.900 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.35334E-03 ppm1      4.054 ppm2      0.672 CV     1
  OR { 2367}
    (( segid "    " and resid 35   and name HB1 ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 2367}
    (( segid "    " and resid 35   and name HB1 ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 2377}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 7    and name HB1 ))
       5.800     4.000     0.200 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.27126E-03 ppm1      4.626 ppm2      3.151 CV     1
  OR { 2377}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 36   and name HE2 ))
  ASSI { 2378}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 7    and name HB2 ))
       4.500     2.700     1.500 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.50636E-03 ppm1      4.619 ppm2      2.748 CV     1
  OR { 2378}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 34   and name HB  ))
  ASSI { 2382}
    (( segid "    " and resid 35   and name HB2 ))
    (  segid "    " and resid 34   and name HD1%)
       4.100     2.300     1.900 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.31995E-03 ppm1      4.620 ppm2      0.667 CV     1
  OR { 2382}
    (( segid "    " and resid 35   and name HB2 ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {  480}
    (( segid "    " and resid 36   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       3.300     1.500     2.100 peak   480 spectrum    1 weight  0.10000E+01 volume  0.60236E-03 ppm1      8.630 ppm2      0.675 CV     1
  OR {  480}
    (( segid "    " and resid 36   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {  482}
    (( segid "    " and resid 36   and name HN  ))
    (  segid "    " and resid 14   and name HB% )
       4.100     2.300     1.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      8.629 ppm2      1.504 CV     1
  OR {  482}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 36   and name HD2 ))
  OR {  482}
    (( segid "    " and resid 36   and name HN  ))
    (  segid "    " and resid 38   and name HB% )
  ASSI {  484}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 37   and name HB1 ))
       4.600     2.800     1.400 peak   484 spectrum    1 weight  0.10000E+01 volume  0.10294E-02 ppm1      8.631 ppm2      2.781 CV     1
  OR {  484}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 34   and name HB  ))
  ASSI {  486}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 16   and name HA2 ))
       4.300     2.500     1.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.64962E-03 ppm1      8.630 ppm2      3.378 CV     1
  OR {  486}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 36   and name HE1 ))
  ASSI {  487}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
       2.900     1.100     1.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.13188E-02 ppm1      8.630 ppm2      4.114 CV     1
  OR {  487}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 17   and name HA  ))
  ASSI {  488}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 35   and name HB2 ))
       2.700     0.900     1.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.85967E-03 ppm1      8.630 ppm2      4.629 CV     1
  OR {  488}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 15   and name HA  ))
  ASSI {  493}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       5.100     3.300     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.17389E-03 ppm1      8.631 ppm2      8.342 CV     1
  OR {  493}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI { 2393}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 17   and name HG2 ))
       3.900     2.100     2.100 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.18919E-02 ppm1      4.086 ppm2      2.617 CV     1
  OR { 2393}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 15   and name HG1 ))
  ASSI { 2396}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 78   and name HD1 ))
       3.600     1.800     2.400 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      4.087 ppm2      1.736 CV     1
  OR { 2396}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 74   and name HG  ))
  ASSI { 2397}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HD2 ))
       3.600     1.800     2.400 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.30743E-02 ppm1      4.085 ppm2      1.455 CV     1
  OR { 2397}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 82   and name HG11))
  ASSI { 2398}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HG2 ))
       2.300     0.500     1.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.51610E-02 ppm1      4.096 ppm2      0.859 CV     1
  OR { 2398}
    (( segid "    " and resid 80   and name HA  ))
    (  segid "    " and resid 80   and name HG1%)
  ASSI { 2401}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.300     1.500     2.200 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.12367E-02 ppm1      4.086 ppm2      8.962 CV     1
  OR { 2401}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI { 2405}
    (( segid "    " and resid 36   and name HB1 ))
    (( segid "    " and resid 36   and name HE1 ))
       3.300     1.500     2.100 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10197E-02 ppm1      2.015 ppm2      3.398 CV     1
  OR { 2405}
    (( segid "    " and resid 36   and name HB1 ))
    (( segid "    " and resid 39   and name HB1 ))
  ASSI { 2411}
    (( segid "    " and resid 36   and name HD2 ))
    (( segid "    " and resid 17   and name HA  ))
       1.800     0.000     0.600 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.40898E-02 ppm1      1.482 ppm2      4.121 CV     1
  OR { 2411}
    (( segid "    " and resid 36   and name HD2 ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI { 2416}
    (( segid "    " and resid 36   and name HE1 ))
    (( segid "    " and resid 17   and name HA  ))
       2.900     1.100     1.700 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.68443E-03 ppm1      3.379 ppm2      4.087 CV     1
  OR { 2416}
    (( segid "    " and resid 36   and name HE1 ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI { 2422}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 17   and name HE22))
       4.200     2.400     1.800 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.35473E-03 ppm1      0.860 ppm2      4.671 CV     1
  OR { 2422}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 15   and name HA  ))
  ASSI { 2425}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 17   and name HA  ))
       2.300     0.500     1.100 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.16832E-02 ppm1      0.860 ppm2      4.087 CV     1
  OR { 2425}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HA  ))
  OR { 2425}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 80   and name HA  ))
  ASSI { 2426}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HE1 ))
       3.200     1.400     2.000 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.34360E-03 ppm1      0.863 ppm2      3.387 CV     1
  OR { 2426}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 16   and name HA2 ))
  ASSI { 2427}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HE2 ))
       3.600     1.800     2.400 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.66219E-03 ppm1      0.862 ppm2      3.091 CV     1
  OR { 2427}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 78   and name HE1 ))
  OR { 2427}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 81   and name HB1 ))
  ASSI { 2429}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 68   and name HB2 ))
       5.200     3.400     0.800 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.35473E-03 ppm1      0.860 ppm2      2.280 CV     1
  OR { 2429}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 71   and name HB  ))
  ASSI { 2430}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 80   and name HB  ))
       2.600     0.800     1.300 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.23927E-02 ppm1      0.862 ppm2      2.013 CV     1
  OR { 2430}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HB1 ))
  ASSI { 2433}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HN  ))
       4.300     2.500     1.700 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.53140E-03 ppm1      0.860 ppm2      8.659 CV     1
  OR { 2433}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 81   and name HN  ))
  ASSI { 2434}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 72   and name HN  ))
       4.100     2.300     1.900 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.13118E-02 ppm1      0.860 ppm2      8.176 CV     1
  OR { 2434}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 85   and name HN  ))
  ASSI { 2436}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 68   and name HE22))
       4.500     2.700     1.500 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.39785E-03 ppm1      0.858 ppm2      7.076 CV     1
  OR { 2436}
    (  segid "    " and resid 80   and name HG1%)
    (( segid "    " and resid 81   and name HD2 ))
  OR { 2436}
    (  segid "    " and resid 80   and name HG1%)
    (  segid "    " and resid 85   and name HE% )
  ASSI {  498}
    (( segid "    " and resid 37   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       5.500     3.700     0.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.18224E-03 ppm1      9.130 ppm2      0.673 CV     1
  OR {  498}
    (( segid "    " and resid 37   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  ASSI {  505}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
       3.300     1.500     2.200 peak   505 spectrum    1 weight  0.10000E+01 volume  0.54531E-03 ppm1      9.129 ppm2      4.101 CV     1
  OR {  505}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI {  511}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       3.400     1.600     2.400 peak   511 spectrum    1 weight  0.10000E+01 volume  0.22535E-03 ppm1      9.129 ppm2      8.338 CV     1
  OR {  511}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI { 2441}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 36   and name HB1 ))
       2.700     0.900     3.300 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      4.520 ppm2      2.037 CV     1
  OR { 2441}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 43   and name HG1 ))
  ASSI { 2446}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       3.200     1.400     2.100 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.12088E-02 ppm1      4.511 ppm2      8.351 CV     1
  OR { 2446}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  515}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       5.000     3.200     1.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.54670E-03 ppm1      8.337 ppm2      0.684 CV     1
  OR {  515}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
  OR {  515}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI {  519}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 36   and name HB1 ))
       1.900     0.100     4.100 peak   519 spectrum    1 weight  0.10000E+01 volume  0.12297E-02 ppm1      8.329 ppm2      1.972 CV     1
  OR {  519}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 23   and name HB2 ))
  OR {  519}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 66   and name HG  ))
  ASSI {  521}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 37   and name HB1 ))
       3.800     2.000     2.200 peak   521 spectrum    1 weight  0.10000E+01 volume  0.10113E-02 ppm1      8.337 ppm2      2.801 CV     1
  OR {  521}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HB  ))
  ASSI {  522}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 9    and name HB1 ))
       4.300     2.500     1.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.80267E-03 ppm1      8.336 ppm2      3.105 CV     1
  OR {  522}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 42   and name HB2 ))
  ASSI {  525}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 35   and name HB1 ))
       3.600     1.800     2.400 peak   525 spectrum    1 weight  0.10000E+01 volume  0.13702E-02 ppm1      8.335 ppm2      4.090 CV     1
  OR {  525}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
  OR {  525}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI { 2450}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 41   and name HG2 ))
       5.100     3.300     0.900 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.40898E-03 ppm1      3.845 ppm2      2.850 CV     1
  OR { 2450}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 42   and name HB1 ))
  ASSI { 2455}
    (( segid "    " and resid 38   and name HA  ))
    (  segid "    " and resid 74   and name HD2%)
       4.500     2.700     1.500 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.35334E-03 ppm1      3.845 ppm2      0.683 CV     1
  OR { 2455}
    (( segid "    " and resid 38   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 2455}
    (( segid "    " and resid 38   and name HA  ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI { 2459}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       3.000     1.200     1.800 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.80686E-03 ppm1      3.843 ppm2      8.338 CV     1
  OR { 2459}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI { 2466}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 35   and name HB2 ))
       4.300     2.500     1.700 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.44654E-03 ppm1      1.527 ppm2      4.652 CV     1
  OR { 2466}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 17   and name HE22))
  ASSI { 2467}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 9    and name HA  ))
       3.800     2.000     2.200 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.19614E-02 ppm1      1.521 ppm2      4.416 CV     1
  OR { 2467}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 8    and name HB  ))
  ASSI { 2471}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 9    and name HB1 ))
       2.600     0.800     1.400 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      1.525 ppm2      3.096 CV     1
  OR { 2471}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 42   and name HB2 ))
  ASSI { 2472}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 34   and name HB  ))
       4.600     2.800     1.400 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.86527E-03 ppm1      1.523 ppm2      2.810 CV     1
  OR { 2472}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 37   and name HB1 ))
  ASSI { 2475}
    (  segid "    " and resid 38   and name HB% )
    (  segid "    " and resid 34   and name HD1%)
       2.900     1.100     1.700 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.19893E-02 ppm1      1.522 ppm2      0.680 CV     1
  OR { 2475}
    (  segid "    " and resid 38   and name HB% )
    (  segid "    " and resid 74   and name HD2%)
  ASSI { 2483}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 38   and name HN  ))
       3.000     1.200     1.800 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.12437E-02 ppm1      1.525 ppm2      8.335 CV     1
  OR { 2483}
    (  segid "    " and resid 38   and name HB% )
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  536}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
       4.800     3.000     1.200 peak   536 spectrum    1 weight  0.10000E+01 volume  0.38116E-03 ppm1      8.946 ppm2      0.703 CV     1
  OR {  536}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
  OR {  536}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI {  540}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 36   and name HB1 ))
       3.300     1.500     2.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.74284E-03 ppm1      8.953 ppm2      1.994 CV     1
  OR {  540}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 30   and name HB  ))
  ASSI {  542}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HB  ))
       4.800     3.000     1.200 peak   542 spectrum    1 weight  0.10000E+01 volume  0.53835E-03 ppm1      8.946 ppm2      2.805 CV     1
  OR {  542}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 37   and name HB1 ))
  ASSI {  543}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 42   and name HB2 ))
       4.100     2.300     1.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.37003E-03 ppm1      8.953 ppm2      3.111 CV     1
  OR {  543}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 44   and name HB1 ))
  ASSI {  546}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
       3.200     1.400     2.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.93761E-03 ppm1      8.947 ppm2      4.101 CV     1
  OR {  546}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI {  551}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 17   and name HE21))
       4.400     2.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.56619E-03 ppm1      8.946 ppm2      7.309 CV     1
  OR {  551}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HE3 ))
  ASSI {  553}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       3.200     1.400     2.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.52722E-03 ppm1      8.945 ppm2      8.335 CV     1
  OR {  553}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI { 1170}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 37   and name HB1 ))
       5.900     4.100     0.100 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.13911E-03 ppm1     10.177 ppm2      2.836 CV     1
  OR { 1170}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 41   and name HG2 ))
  OR { 1170}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 43   and name HA  ))
  ASSI { 1172}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
       5.900     4.100     0.100 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.14189E-03 ppm1     10.177 ppm2      4.127 CV     1
  OR { 1172}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 41   and name HA  ))
  OR { 1172}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 31   and name HA  ))
  OR { 1172}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
  ASSI { 2488}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
       2.700     0.900     1.500 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.24483E-02 ppm1      4.083 ppm2      8.957 CV     1
  OR { 2488}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI { 2489}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       3.100     1.300     1.900 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.21006E-02 ppm1      4.082 ppm2      8.309 CV     1
  OR { 2489}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 53   and name HN  ))
  OR { 2489}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI { 2494}
    (( segid "    " and resid 39   and name HB1 ))
    (( segid "    " and resid 39   and name HA  ))
       3.700     1.900     2.300 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.42707E-03 ppm1      3.442 ppm2      4.083 CV     1
  OR { 2494}
    (( segid "    " and resid 39   and name HB1 ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI { 2500}
    (( segid "    " and resid 39   and name HB1 ))
    (( segid "    " and resid 40   and name HN  ))
       3.000     1.200     1.800 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.55644E-03 ppm1      3.438 ppm2      8.354 CV     1
  OR { 2500}
    (( segid "    " and resid 39   and name HB1 ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI { 2501}
    (( segid "    " and resid 39   and name HB1 ))
    (( segid "    " and resid 39   and name HE3 ))
       3.300     1.500     2.200 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.11407E-02 ppm1      3.441 ppm2      7.330 CV     1
  OR { 2501}
    (( segid "    " and resid 39   and name HB1 ))
    (( segid "    " and resid 17   and name HE21))
  ASSI {  560}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
       2.500     0.700     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.46880E-02 ppm1      8.324 ppm2      4.114 CV     1
  OR {  560}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
  OR {  560}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI { 2506}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 43   and name HA  ))
       5.700     3.900     0.300 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.20310E-03 ppm1      4.146 ppm2      2.848 CV     1
  OR { 2506}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 42   and name HB1 ))
  OR { 2506}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HG2 ))
  ASSI { 2509}
    (( segid "    " and resid 40   and name HA  ))
    (  segid "    " and resid 40   and name HB% )
       2.500     0.700     1.300 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.44654E-02 ppm1      4.144 ppm2      1.662 CV     1
  OR { 2509}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 43   and name HG2 ))
  ASSI { 2515}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       4.300     2.500     1.700 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.48966E-03 ppm1      4.145 ppm2      7.348 CV     1
  OR { 2515}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 39   and name HE3 ))
  ASSI { 2517}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 40   and name HA  ))
       2.700     0.900     1.500 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.25874E-02 ppm1      1.654 ppm2      4.143 CV     1
  OR { 2517}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 41   and name HA  ))
  ASSI { 2520}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 44   and name HB1 ))
       4.900     3.100     1.100 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.20171E-03 ppm1      1.658 ppm2      3.096 CV     1
  OR { 2520}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 42   and name HB2 ))
  ASSI { 2521}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 37   and name HB1 ))
       4.800     3.000     1.200 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.46601E-03 ppm1      1.655 ppm2      2.838 CV     1
  OR { 2521}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 41   and name HG2 ))
  OR { 2521}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 43   and name HA  ))
  ASSI { 2526}
    (  segid "    " and resid 40   and name HB% )
    (  segid "    " and resid 74   and name HD2%)
       5.600     3.800     0.400 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.20588E-03 ppm1      1.660 ppm2      0.677 CV     1
  OR { 2526}
    (  segid "    " and resid 40   and name HB% )
    (  segid "    " and resid 34   and name HD1%)
  ASSI { 2534}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 44   and name HN  ))
       4.800     3.000     1.200 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.30048E-03 ppm1      1.657 ppm2      7.314 CV     1
  OR { 2534}
    (  segid "    " and resid 40   and name HB% )
    (( segid "    " and resid 39   and name HE3 ))
  ASSI {  570}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 41   and name HG2 ))
       4.400     2.600     1.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.88056E-03 ppm1      7.819 ppm2      2.863 CV     1
  OR {  570}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 42   and name HB1 ))
  OR {  570}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 43   and name HA  ))
  ASSI {  573}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 41   and name HA  ))
       3.400     1.600     2.300 peak   573 spectrum    1 weight  0.10000E+01 volume  0.72196E-03 ppm1      7.820 ppm2      4.150 CV     1
  OR {  573}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
  ASSI {  575}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 41   and name HE21))
       4.800     3.000     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.48271E-03 ppm1      7.820 ppm2      7.236 CV     1
  OR {  575}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 39   and name HD1 ))
  ASSI {  577}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 40   and name HN  ))
       3.000     1.200     1.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.84858E-03 ppm1      7.820 ppm2      8.318 CV     1
  OR {  577}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI { 2536}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       2.400     0.600     3.600 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.71364E-02 ppm1      4.173 ppm2      7.153 CV     1
  OR { 2536}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 43   and name HE21))
  ASSI { 2539}
    (( segid "    " and resid 41   and name HB1 ))
    (( segid "    " and resid 41   and name HG2 ))
       2.900     1.100     1.700 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.94870E-03 ppm1      2.491 ppm2      2.861 CV     1
  OR { 2539}
    (( segid "    " and resid 41   and name HB1 ))
    (( segid "    " and resid 42   and name HB1 ))
  ASSI { 2543}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HG2 ))
       4.100     2.300     1.900 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.48549E-03 ppm1      2.429 ppm2      2.870 CV     1
  OR { 2543}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 42   and name HB1 ))
  ASSI { 2547}
    (( segid "    " and resid 41   and name HG1 ))
    (( segid "    " and resid 42   and name HB2 ))
       5.100     3.300     0.900 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.24762E-03 ppm1      2.533 ppm2      3.097 CV     1
  OR { 2547}
    (( segid "    " and resid 41   and name HG1 ))
    (( segid "    " and resid 44   and name HB1 ))
  OR { 2547}
    (( segid "    " and resid 41   and name HG1 ))
    (( segid "    " and resid 45   and name HE2 ))
  ASSI {  579}
    (( segid "    " and resid 42   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
       4.700     2.900     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.63711E-03 ppm1      8.181 ppm2      0.709 CV     1
  OR {  579}
    (( segid "    " and resid 42   and name HN  ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI {  580}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 45   and name HB2 ))
       4.800     3.000     1.200 peak   580 spectrum    1 weight  0.10000E+01 volume  0.26014E-03 ppm1      8.189 ppm2      1.388 CV     1
  OR {  580}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 45   and name HB1 ))
  OR {  580}
    (( segid "    " and resid 42   and name HN  ))
    (  segid "    " and resid 70   and name HE% )
  ASSI {  581}
    (( segid "    " and resid 42   and name HN  ))
    (  segid "    " and resid 40   and name HB% )
       4.100     2.300     1.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      8.183 ppm2      1.678 CV     1
  OR {  581}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 43   and name HG2 ))
  OR {  581}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 45   and name HD2 ))
  ASSI {  584}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 42   and name HB1 ))
       2.900     1.100     1.700 peak   584 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      8.182 ppm2      2.884 CV     1
  OR {  584}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HG2 ))
  OR {  584}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 43   and name HA  ))
  ASSI {  585}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 73   and name HB2 ))
       4.000     2.200     2.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.21423E-03 ppm1      8.183 ppm2      3.415 CV     1
  OR {  585}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 75   and name HB2 ))
  ASSI {  587}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 42   and name HA  ))
       3.300     1.500     2.100 peak   587 spectrum    1 weight  0.10000E+01 volume  0.81795E-03 ppm1      8.184 ppm2      3.891 CV     1
  OR {  587}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  588}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HA  ))
       3.600     1.800     2.400 peak   588 spectrum    1 weight  0.10000E+01 volume  0.91950E-03 ppm1      8.187 ppm2      4.155 CV     1
  OR {  588}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
  ASSI {  592}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HE21))
       3.800     2.000     2.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.10197E-02 ppm1      8.183 ppm2      7.245 CV     1
  OR {  592}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HD1 ))
  ASSI {  595}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 43   and name HN  ))
       3.000     1.200     1.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.90280E-03 ppm1      8.183 ppm2      8.453 CV     1
  OR {  595}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI { 1185}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 45   and name HB1 ))
       4.100     2.300     1.900 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.10684E-02 ppm1      9.564 ppm2      1.418 CV     1
  OR { 1185}
    (( segid "    " and resid 42   and name HN  ))
    (  segid "    " and resid 70   and name HE% )
  ASSI { 1187}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 42   and name HB1 ))
       3.400     1.600     2.400 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.46045E-03 ppm1      9.564 ppm2      2.899 CV     1
  OR { 1187}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HG2 ))
  ASSI { 1188}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
       4.400     2.600     1.600 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.17667E-03 ppm1      9.564 ppm2      4.100 CV     1
  OR { 1188}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
  ASSI { 2562}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 73   and name HB2 ))
       6.000     4.200     0.000 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.42011E-04 ppm1      3.902 ppm2      3.384 CV     1
  OR { 2562}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 75   and name HB2 ))
  ASSI { 2563}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HB2 ))
       2.800     1.000     1.500 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.14328E-02 ppm1      3.907 ppm2      3.084 CV     1
  OR { 2563}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 44   and name HB1 ))
  OR { 2563}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 45   and name HE2 ))
  ASSI { 2564}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HB1 ))
       3.400     1.600     2.300 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.91537E-03 ppm1      3.905 ppm2      2.878 CV     1
  OR { 2564}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 43   and name HA  ))
  OR { 2564}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 41   and name HG2 ))
  ASSI { 2565}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 74   and name HG  ))
       4.100     2.300     1.900 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.88197E-03 ppm1      3.908 ppm2      1.737 CV     1
  OR { 2565}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 70   and name HB2 ))
  ASSI { 2567}
    (( segid "    " and resid 42   and name HA  ))
    (  segid "    " and resid 74   and name HD2%)
       4.600     2.800     1.400 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.74007E-03 ppm1      3.907 ppm2      0.687 CV     1
  OR { 2567}
    (( segid "    " and resid 42   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 2567}
    (( segid "    " and resid 42   and name HA  ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI { 2568}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 43   and name HN  ))
       3.400     1.600     2.200 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.88197E-03 ppm1      3.905 ppm2      8.467 CV     1
  OR { 2568}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI { 2571}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       3.200     1.400     2.000 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      3.905 ppm2      7.200 CV     1
  OR { 2571}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 41   and name HE21))
  ASSI { 2578}
    (( segid "    " and resid 42   and name HB1 ))
    (  segid "    " and resid 74   and name HD2%)
       3.300     1.500     2.200 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.48966E-03 ppm1      2.894 ppm2      0.690 CV     1
  OR { 2578}
    (( segid "    " and resid 42   and name HB1 ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 2578}
    (( segid "    " and resid 42   and name HB1 ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI { 2579}
    (( segid "    " and resid 42   and name HB1 ))
    (( segid "    " and resid 43   and name HN  ))
       3.900     2.100     2.100 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.26987E-03 ppm1      2.880 ppm2      8.456 CV     1
  OR { 2579}
    (( segid "    " and resid 42   and name HB1 ))
    (( segid "    " and resid 46   and name HN  ))
  OR { 2579}
    (( segid "    " and resid 42   and name HB1 ))
    (( segid "    " and resid 74   and name HN  ))
  ASSI { 2581}
    (( segid "    " and resid 42   and name HB1 ))
    (( segid "    " and resid 42   and name HD1 ))
       3.200     1.400     2.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.52305E-03 ppm1      2.880 ppm2      7.295 CV     1
  OR { 2581}
    (( segid "    " and resid 42   and name HB1 ))
    (( segid "    " and resid 39   and name HE3 ))
  ASSI { 2584}
    (( segid "    " and resid 42   and name HB2 ))
    (  segid "    " and resid 74   and name HD2%)
       3.300     1.500     2.200 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.68862E-03 ppm1      3.080 ppm2      0.702 CV     1
  OR { 2584}
    (( segid "    " and resid 42   and name HB2 ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 2584}
    (( segid "    " and resid 42   and name HB2 ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI { 2585}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 43   and name HN  ))
       4.100     2.300     1.900 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.85690E-03 ppm1      3.071 ppm2      8.464 CV     1
  OR { 2585}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 74   and name HN  ))
  OR { 2585}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI { 2587}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 42   and name HD1 ))
       3.200     1.400     2.100 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.30187E-02 ppm1      3.082 ppm2      7.305 CV     1
  OR { 2587}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 44   and name HN  ))
  OR { 2587}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 39   and name HE3 ))
  ASSI {  598}
    (( segid "    " and resid 43   and name HN  ))
    (  segid "    " and resid 74   and name HD2%)
       2.000     0.200     4.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.64266E-03 ppm1      8.453 ppm2      0.698 CV     1
  OR {  598}
    (( segid "    " and resid 43   and name HN  ))
    (  segid "    " and resid 34   and name HD1%)
  OR {  598}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 55   and name HG  ))
  ASSI {  599}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 45   and name HB2 ))
       4.000     2.200     2.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.58147E-03 ppm1      8.451 ppm2      1.327 CV     1
  OR {  599}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 46   and name HB2 ))
  ASSI {  600}
    (( segid "    " and resid 43   and name HN  ))
    (  segid "    " and resid 40   and name HB% )
       3.700     1.900     2.300 peak   600 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      8.454 ppm2      1.691 CV     1
  OR {  600}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 45   and name HD2 ))
  ASSI {  603}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 43   and name HA  ))
       2.700     0.900     1.400 peak   603 spectrum    1 weight  0.10000E+01 volume  0.24622E-02 ppm1      8.447 ppm2      2.844 CV     1
  OR {  603}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HB1 ))
  OR {  603}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 41   and name HG2 ))
  ASSI {  604}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
       3.200     1.400     2.100 peak   604 spectrum    1 weight  0.10000E+01 volume  0.14189E-02 ppm1      8.454 ppm2      4.125 CV     1
  OR {  604}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 41   and name HA  ))
  ASSI {  606}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 43   and name HE22))
       6.000     4.200     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.25596E-04 ppm1      8.453 ppm2      6.021 CV     1
  OR {  606}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HZ3 ))
  ASSI {  607}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 44   and name HN  ))
       2.800     1.000     1.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.16832E-02 ppm1      8.454 ppm2      7.324 CV     1
  OR {  607}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HD1 ))
  ASSI { 2590}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 40   and name HA  ))
       3.800     2.000     2.200 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.18641E-02 ppm1      2.852 ppm2      4.119 CV     1
  OR { 2590}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 39   and name HA  ))
  OR { 2590}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 47   and name HB  ))
  OR { 2590}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 41   and name HA  ))
  ASSI { 2591}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 47   and name HA  ))
       4.000     2.200     2.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.84716E-03 ppm1      2.849 ppm2      3.726 CV     1
  OR { 2591}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 45   and name HA  ))
  ASSI { 2594}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 43   and name HG1 ))
       3.300     1.500     2.200 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.11490E-02 ppm1      2.848 ppm2      2.062 CV     1
  OR { 2594}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 46   and name HG2 ))
  ASSI { 2596}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 66   and name HD1%)
       4.500     2.700     1.500 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.43402E-03 ppm1      2.855 ppm2      0.990 CV     1
  OR { 2596}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 50   and name HG2%)
  ASSI { 2598}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 43   and name HG2 ))
       4.200     2.400     1.800 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.79990E-03 ppm1      2.847 ppm2      1.651 CV     1
  OR { 2598}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 40   and name HB% )
  ASSI { 2599}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 46   and name HG1 ))
       3.300     1.500     2.200 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.31856E-02 ppm1      2.850 ppm2      1.866 CV     1
  OR { 2599}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 50   and name HB  ))
  ASSI { 2600}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 43   and name HN  ))
       3.200     1.400     2.100 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.89725E-03 ppm1      2.850 ppm2      8.466 CV     1
  OR { 2600}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI { 2604}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       3.700     1.900     2.300 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.90840E-03 ppm1      2.848 ppm2      7.203 CV     1
  OR { 2604}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 39   and name HD1 ))
  OR { 2604}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 46   and name HE21))
  ASSI { 2605}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       3.500     1.700     2.400 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.91254E-03 ppm1      2.850 ppm2      7.301 CV     1
  OR { 2605}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 42   and name HD1 ))
  ASSI { 2609}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 40   and name HA  ))
       2.600     0.800     1.300 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.36029E-02 ppm1      1.889 ppm2      4.135 CV     1
  OR { 2609}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 41   and name HA  ))
  ASSI { 2611}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 43   and name HA  ))
       2.600     0.800     1.400 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      1.909 ppm2      2.848 CV     1
  OR { 2611}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 42   and name HB1 ))
  ASSI { 2616}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 40   and name HA  ))
       4.100     2.300     1.900 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      2.071 ppm2      4.139 CV     1
  OR { 2616}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 47   and name HB  ))
  OR { 2616}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 41   and name HA  ))
  ASSI { 2624}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 43   and name HN  ))
       4.200     2.400     1.800 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      2.071 ppm2      8.460 CV     1
  OR { 2624}
    (( segid "    " and resid 43   and name HG1 ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI { 2629}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 40   and name HA  ))
       4.500     2.700     1.500 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.30883E-03 ppm1      1.649 ppm2      4.142 CV     1
  OR { 2629}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 47   and name HB  ))
  ASSI { 2639}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 43   and name HN  ))
       5.100     3.300     0.900 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.58425E-03 ppm1      1.651 ppm2      8.438 CV     1
  OR { 2639}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI { 2642}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 43   and name HE21))
       4.700     2.900     1.300 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.38255E-03 ppm1      1.651 ppm2      7.150 CV     1
  OR { 2642}
    (( segid "    " and resid 43   and name HG2 ))
    (( segid "    " and resid 45   and name HN  ))
  ASSI {  622}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 43   and name HN  ))
       3.500     1.700     2.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.46463E-03 ppm1      7.342 ppm2      8.439 CV     1
  OR {  622}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  624}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       3.000     1.200     3.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.67605E-04 ppm1      7.342 ppm2      7.836 CV     1
  OR {  624}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 55   and name HN  ))
  OR {  624}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 65   and name HN  ))
  ASSI { 2646}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       2.500     0.700     1.300 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.42428E-02 ppm1      4.229 ppm2      7.354 CV     1
  OR { 2646}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
  ASSI {  630}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 41   and name HB1 ))
       4.100     2.300     1.900 peak   630 spectrum    1 weight  0.10000E+01 volume  0.36029E-04 ppm1      7.165 ppm2      2.482 CV     1
  OR {  630}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 52   and name HG1 ))
  ASSI {  631}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 44   and name HB1 ))
       3.200     1.400     2.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.78320E-03 ppm1      7.166 ppm2      3.087 CV     1
  OR {  631}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 45   and name HE2 ))
  ASSI {  637}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
       3.600     1.800     2.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.32413E-03 ppm1      7.166 ppm2      8.462 CV     1
  OR {  637}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 43   and name HN  ))
  ASSI { 2659}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 47   and name HB  ))
       3.400     1.600     2.300 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      3.744 ppm2      4.109 CV     1
  OR { 2659}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 52   and name HA  ))
  ASSI { 2666}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HG1 ))
       3.900     2.100     2.100 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.12381E-02 ppm1      3.736 ppm2      1.142 CV     1
  OR { 2666}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 49   and name HB2 ))
  ASSI { 2667}
    (( segid "    " and resid 45   and name HA  ))
    (  segid "    " and resid 49   and name HD1%)
       4.900     3.100     1.100 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.71364E-03 ppm1      3.740 ppm2      0.917 CV     1
  OR { 2667}
    (( segid "    " and resid 45   and name HA  ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 2668}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       3.600     1.800     2.400 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.60094E-03 ppm1      3.734 ppm2      8.490 CV     1
  OR { 2668}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI { 2670}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       3.200     1.400     2.000 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.12881E-02 ppm1      3.742 ppm2      7.345 CV     1
  OR { 2670}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
  ASSI { 2676}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 45   and name HE2 ))
       4.100     2.300     1.900 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.10085E-02 ppm1      1.414 ppm2      3.086 CV     1
  OR { 2676}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 44   and name HB1 ))
  ASSI { 2678}
    (( segid "    " and resid 45   and name HB1 ))
    (  segid "    " and resid 49   and name HD1%)
       4.000     2.200     2.000 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      1.400 ppm2      0.851 CV     1
  OR { 2678}
    (( segid "    " and resid 45   and name HB1 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 2680}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 49   and name HN  ))
       3.900     2.100     2.100 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.96818E-03 ppm1      1.406 ppm2      8.501 CV     1
  OR { 2680}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI { 2683}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 48   and name HN  ))
       4.000     2.200     2.000 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.13215E-02 ppm1      1.412 ppm2      7.343 CV     1
  OR { 2683}
    (( segid "    " and resid 45   and name HB1 ))
    (( segid "    " and resid 44   and name HN  ))
  ASSI { 2689}
    (( segid "    " and resid 45   and name HD1 ))
    (( segid "    " and resid 46   and name HA  ))
       2.600     0.800     3.400 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.52862E-02 ppm1      1.560 ppm2      2.976 CV     1
  OR { 2689}
    (( segid "    " and resid 45   and name HD1 ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI { 2691}
    (( segid "    " and resid 45   and name HD1 ))
    (( segid "    " and resid 49   and name HB2 ))
       2.100     0.300     3.900 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.38811E-01 ppm1      1.565 ppm2      1.147 CV     1
  OR { 2691}
    (( segid "    " and resid 45   and name HD1 ))
    (  segid "    " and resid 47   and name HG2%)
  ASSI { 2697}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 48   and name HA  ))
       3.100     1.300     2.900 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.77901E-02 ppm1      1.694 ppm2      4.140 CV     1
  OR { 2697}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 47   and name HB  ))
  OR { 2697}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 69   and name HA  ))
  ASSI { 2698}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 45   and name HG1 ))
       2.300     0.500     1.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.38255E-02 ppm1      1.693 ppm2      1.095 CV     1
  OR { 2698}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 49   and name HB2 ))
  ASSI { 2699}
    (( segid "    " and resid 45   and name HD2 ))
    (  segid "    " and resid 49   and name HD1%)
       3.100     1.300     2.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.78875E-02 ppm1      1.693 ppm2      0.910 CV     1
  OR { 2699}
    (( segid "    " and resid 45   and name HD2 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 2703}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 46   and name HN  ))
       3.400     1.600     2.300 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      1.694 ppm2      8.484 CV     1
  OR { 2703}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 50   and name HN  ))
  OR { 2703}
    (( segid "    " and resid 45   and name HD2 ))
    (( segid "    " and resid 43   and name HN  ))
  ASSI { 2706}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 46   and name HA  ))
       4.100     2.300     1.900 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.10642E-02 ppm1      1.101 ppm2      2.976 CV     1
  OR { 2706}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI { 2707}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 46   and name HN  ))
       4.300     2.500     1.700 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      1.108 ppm2      8.481 CV     1
  OR { 2707}
    (( segid "    " and resid 45   and name HG1 ))
    (( segid "    " and resid 43   and name HN  ))
  ASSI { 2712}
    (( segid "    " and resid 45   and name HG2 ))
    (( segid "    " and resid 44   and name HB1 ))
       2.200     0.400     3.800 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.12478E-02 ppm1      1.228 ppm2      3.046 CV     1
  OR { 2712}
    (( segid "    " and resid 45   and name HG2 ))
    (( segid "    " and resid 42   and name HB2 ))
  OR { 2712}
    (( segid "    " and resid 45   and name HG2 ))
    (( segid "    " and resid 53   and name HE1 ))
  ASSI { 2714}
    (( segid "    " and resid 45   and name HG2 ))
    (  segid "    " and resid 49   and name HD1%)
       6.000     4.200     0.000 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.28935E-03 ppm1      1.222 ppm2      0.849 CV     1
  OR { 2714}
    (( segid "    " and resid 45   and name HG2 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI {  641}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HB2 ))
       2.600     0.800     1.400 peak   641 spectrum    1 weight  0.10000E+01 volume  0.26152E-02 ppm1      8.455 ppm2      1.318 CV     1
  OR {  641}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HB2 ))
  ASSI {  642}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HG2 ))
       3.600     1.800     2.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.29213E-02 ppm1      8.457 ppm2      2.037 CV     1
  OR {  642}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 43   and name HG1 ))
  ASSI {  645}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 47   and name HB  ))
       4.500     2.700     1.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.50358E-03 ppm1      8.454 ppm2      4.165 CV     1
  OR {  645}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 48   and name HA  ))
  ASSI {  648}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HE22))
       4.500     2.700     1.500 peak   648 spectrum    1 weight  0.10000E+01 volume  0.91950E-03 ppm1      8.453 ppm2      6.849 CV     1
  OR {  648}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 42   and name HZ2 ))
  ASSI {  649}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       3.100     1.300     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.90003E-03 ppm1      8.455 ppm2      7.187 CV     1
  OR {  649}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 46   and name HE21))
  ASSI { 2718}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 49   and name HA  ))
       3.200     1.400     2.800 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.53001E-02 ppm1      2.996 ppm2      3.990 CV     1
  OR { 2718}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 70   and name HA  ))
  ASSI { 2719}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HG1 ))
       3.000     1.200     1.800 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.20866E-02 ppm1      2.997 ppm2      1.923 CV     1
  OR { 2719}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 49   and name HB1 ))
  ASSI { 2723}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       3.100     1.300     2.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.93761E-03 ppm1      2.997 ppm2      8.486 CV     1
  OR { 2723}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI { 2725}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       3.600     1.800     2.400 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.67192E-03 ppm1      2.998 ppm2      7.302 CV     1
  OR { 2725}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 42   and name HD1 ))
  OR { 2725}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
  ASSI { 2727}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 43   and name HA  ))
       3.100     1.300     1.900 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.81377E-03 ppm1      0.467 ppm2      2.873 CV     1
  OR { 2727}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 42   and name HB1 ))
  ASSI { 2732}
    (( segid "    " and resid 46   and name HB1 ))
    (  segid "    " and resid 66   and name HD1%)
       4.500     2.700     1.500 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.59675E-03 ppm1      0.473 ppm2      1.048 CV     1
  OR { 2732}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 50   and name HG12))
  OR { 2732}
    (( segid "    " and resid 46   and name HB1 ))
    (  segid "    " and resid 50   and name HG2%)
  ASSI { 2733}
    (( segid "    " and resid 46   and name HB1 ))
    (  segid "    " and resid 50   and name HD1%)
       4.800     3.000     1.200 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.24344E-03 ppm1      0.471 ppm2      0.889 CV     1
  OR { 2733}
    (( segid "    " and resid 46   and name HB1 ))
    (  segid "    " and resid 49   and name HD1%)
  ASSI { 2738}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 46   and name HE22))
       6.000     4.200     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.18501E-03 ppm1      0.469 ppm2      6.881 CV     1
  OR { 2738}
    (( segid "    " and resid 46   and name HB1 ))
    (( segid "    " and resid 42   and name HZ2 ))
  ASSI { 2740}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 43   and name HA  ))
       3.500     1.700     2.500 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.77901E-03 ppm1      1.288 ppm2      2.879 CV     1
  OR { 2740}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 42   and name HB1 ))
  ASSI { 2741}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 46   and name HG1 ))
       3.600     1.800     2.400 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.83188E-03 ppm1      1.293 ppm2      1.894 CV     1
  OR { 2741}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 49   and name HB1 ))
  ASSI { 2746}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 46   and name HE22))
       4.700     2.900     1.300 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.25735E-03 ppm1      1.292 ppm2      6.862 CV     1
  OR { 2746}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 42   and name HZ2 ))
  ASSI { 2747}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 46   and name HA  ))
       3.600     1.800     2.400 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.52027E-03 ppm1      1.910 ppm2      2.981 CV     1
  OR { 2747}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI { 2749}
    (( segid "    " and resid 46   and name HG1 ))
    (  segid "    " and resid 66   and name HD1%)
       3.600     1.800     2.400 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.52862E-03 ppm1      1.910 ppm2      1.042 CV     1
  OR { 2749}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 50   and name HG12))
  OR { 2749}
    (( segid "    " and resid 46   and name HG1 ))
    (  segid "    " and resid 50   and name HG2%)
  ASSI { 2750}
    (( segid "    " and resid 46   and name HG1 ))
    (  segid "    " and resid 65   and name HD1%)
       4.800     3.000     1.200 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.51610E-03 ppm1      1.914 ppm2      0.934 CV     1
  OR { 2750}
    (( segid "    " and resid 46   and name HG1 ))
    (  segid "    " and resid 82   and name HG2%)
  ASSI { 2752}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 46   and name HN  ))
       5.400     3.600     0.600 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.16832E-03 ppm1      1.911 ppm2      8.451 CV     1
  OR { 2752}
    (( segid "    " and resid 46   and name HG1 ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI { 2757}
    (( segid "    " and resid 46   and name HG2 ))
    (  segid "    " and resid 50   and name HG2%)
       4.800     3.000     1.200 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      2.044 ppm2      0.979 CV     1
  OR { 2757}
    (( segid "    " and resid 46   and name HG2 ))
    (  segid "    " and resid 65   and name HD1%)
  ASSI { 2759}
    (( segid "    " and resid 46   and name HG2 ))
    (( segid "    " and resid 46   and name HN  ))
       4.200     2.400     1.800 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.13911E-02 ppm1      2.048 ppm2      8.462 CV     1
  OR { 2759}
    (( segid "    " and resid 46   and name HG2 ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI {  655}
    (( segid "    " and resid 47   and name HN  ))
    (  segid "    " and resid 47   and name HG2%)
       4.000     2.200     2.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.12270E-02 ppm1      7.537 ppm2      1.211 CV     1
  OR {  655}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 45   and name HG2 ))
  ASSI {  656}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HG2 ))
       4.000     2.200     2.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.96818E-03 ppm1      7.538 ppm2      2.052 CV     1
  OR {  656}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 43   and name HG1 ))
  ASSI {  659}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 47   and name HA  ))
       3.300     1.500     2.200 peak   659 spectrum    1 weight  0.10000E+01 volume  0.45906E-03 ppm1      7.537 ppm2      3.704 CV     1
  OR {  659}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 45   and name HA  ))
  ASSI {  660}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 47   and name HB  ))
       3.100     1.300     1.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.93484E-03 ppm1      7.537 ppm2      4.147 CV     1
  OR {  660}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 48   and name HA  ))
  ASSI {  663}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 48   and name HN  ))
       2.700     0.900     1.400 peak   663 spectrum    1 weight  0.10000E+01 volume  0.18641E-02 ppm1      7.537 ppm2      7.335 CV     1
  OR {  663}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 44   and name HN  ))
  ASSI {  665}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
       3.400     1.600     2.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.47297E-03 ppm1      7.537 ppm2      8.478 CV     1
  OR {  665}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI { 2762}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 47   and name HB  ))
       3.100     1.300     2.000 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.96404E-03 ppm1      3.688 ppm2      4.140 CV     1
  OR { 2762}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 48   and name HA  ))
  ASSI { 2764}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 51   and name HB1 ))
       5.000     3.200     1.000 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.52445E-03 ppm1      3.689 ppm2      2.947 CV     1
  OR { 2764}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 53   and name HE2 ))
  OR { 2764}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 56   and name HB2 ))
  ASSI { 2765}
    (( segid "    " and resid 47   and name HA  ))
    (  segid "    " and resid 57   and name HE% )
       4.300     2.500     1.700 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.13396E-02 ppm1      3.689 ppm2      2.093 CV     1
  OR { 2765}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 43   and name HG1 ))
  OR { 2765}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 57   and name HB1 ))
  ASSI { 2766}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 50   and name HB  ))
       2.700     0.900     1.400 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.14467E-02 ppm1      3.688 ppm2      1.869 CV     1
  OR { 2766}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 46   and name HG1 ))
  ASSI { 2771}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
       3.500     1.700     2.500 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.65800E-03 ppm1      3.689 ppm2      8.490 CV     1
  OR { 2771}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI { 2780}
    (( segid "    " and resid 47   and name HB  ))
    (( segid "    " and resid 46   and name HG2 ))
       4.000     2.200     2.000 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.71783E-03 ppm1      4.151 ppm2      2.060 CV     1
  OR { 2780}
    (( segid "    " and resid 47   and name HB  ))
    (( segid "    " and resid 43   and name HG1 ))
  OR { 2780}
    (( segid "    " and resid 47   and name HB  ))
    (  segid "    " and resid 57   and name HE% )
  ASSI { 2783}
    (( segid "    " and resid 47   and name HB  ))
    (( segid "    " and resid 46   and name HN  ))
       4.700     2.900     1.300 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.35751E-03 ppm1      4.144 ppm2      8.489 CV     1
  OR { 2783}
    (( segid "    " and resid 47   and name HB  ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI { 2787}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 47   and name HB  ))
       2.500     0.700     1.300 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.37559E-02 ppm1      1.179 ppm2      4.142 CV     1
  OR { 2787}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 48   and name HA  ))
  ASSI { 2789}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 51   and name HB1 ))
       5.100     3.300     0.900 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.51053E-03 ppm1      1.180 ppm2      2.905 CV     1
  OR { 2789}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 57   and name HG2 ))
  ASSI { 2791}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 50   and name HB  ))
       4.000     2.200     2.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.37838E-03 ppm1      1.180 ppm2      1.907 CV     1
  OR { 2791}
    (  segid "    " and resid 47   and name HG2%)
    (( segid "    " and resid 46   and name HG1 ))
  ASSI {  668}
    (( segid "    " and resid 48   and name HN  ))
    (  segid "    " and resid 49   and name HD1%)
       4.800     3.000     1.200 peak   668 spectrum    1 weight  0.10000E+01 volume  0.66354E-03 ppm1      7.321 ppm2      0.918 CV     1
  OR {  668}
    (( segid "    " and resid 48   and name HN  ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI {  670}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 45   and name HD2 ))
       5.000     3.200     1.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.34082E-03 ppm1      7.322 ppm2      1.690 CV     1
  OR {  670}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 53   and name HB2 ))
  OR {  670}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 53   and name HD1 ))
  ASSI {  673}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 46   and name HA  ))
       4.100     2.300     1.900 peak   673 spectrum    1 weight  0.10000E+01 volume  0.32552E-03 ppm1      7.323 ppm2      2.964 CV     1
  OR {  673}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI {  674}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 47   and name HA  ))
       3.700     1.900     2.300 peak   674 spectrum    1 weight  0.10000E+01 volume  0.36447E-03 ppm1      7.321 ppm2      3.715 CV     1
  OR {  674}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 45   and name HA  ))
  ASSI {  675}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 48   and name HA  ))
       3.000     1.200     1.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      7.322 ppm2      4.136 CV     1
  OR {  675}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 47   and name HB  ))
  ASSI {  679}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 49   and name HN  ))
       3.200     1.400     2.100 peak   679 spectrum    1 weight  0.10000E+01 volume  0.56200E-03 ppm1      7.322 ppm2      8.507 CV     1
  OR {  679}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI { 2801}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 70   and name HN  ))
       2.600     0.800     1.300 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.36864E-02 ppm1      4.146 ppm2      8.522 CV     1
  OR { 2801}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI { 2809}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 48   and name HA  ))
       2.800     1.000     1.600 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.30604E-02 ppm1      2.335 ppm2      4.145 CV     1
  OR { 2809}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 47   and name HB  ))
  ASSI { 2813}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 45   and name HD2 ))
       4.400     2.600     1.600 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.43263E-03 ppm1      2.335 ppm2      1.675 CV     1
  OR { 2813}
    (( segid "    " and resid 48   and name HB1 ))
    (( segid "    " and resid 53   and name HD1 ))
  ASSI { 2815}
    (( segid "    " and resid 67   and name HB1 ))
    (  segid "    " and resid 71   and name HG2%)
       3.600     1.800     2.400 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.21145E-02 ppm1      2.333 ppm2      1.172 CV     1
  OR { 2815}
    (( segid "    " and resid 48   and name HB1 ))
    (  segid "    " and resid 47   and name HG2%)
  OR { 2815}
    (( segid "    " and resid 67   and name HB1 ))
    (( segid "    " and resid 82   and name HG12))
  ASSI { 2816}
    (( segid "    " and resid 48   and name HB1 ))
    (  segid "    " and resid 49   and name HD1%)
       4.000     2.200     2.000 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.13535E-02 ppm1      2.336 ppm2      0.904 CV     1
  OR { 2816}
    (( segid "    " and resid 48   and name HB1 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 2819}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 48   and name HA  ))
       2.900     1.100     1.700 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.94735E-03 ppm1      2.547 ppm2      4.151 CV     1
  OR { 2819}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 47   and name HB  ))
  ASSI { 2825}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 45   and name HD2 ))
       4.900     3.100     1.100 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.66773E-03 ppm1      2.547 ppm2      1.667 CV     1
  OR { 2825}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 53   and name HD1 ))
  ASSI { 2829}
    (( segid "    " and resid 48   and name HB2 ))
    (  segid "    " and resid 49   and name HD1%)
       4.700     2.900     1.300 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.11003E-02 ppm1      2.543 ppm2      0.917 CV     1
  OR { 2829}
    (( segid "    " and resid 48   and name HB2 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 2830}
    (( segid "    " and resid 68   and name HG1 ))
    (( segid "    " and resid 68   and name HA  ))
       2.900     1.100     1.600 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.22535E-02 ppm1      2.529 ppm2      4.146 CV     1
  OR { 2830}
    (( segid "    " and resid 48   and name HG1 ))
    (( segid "    " and resid 48   and name HA  ))
  OR { 2830}
    (( segid "    " and resid 68   and name HG1 ))
    (( segid "    " and resid 69   and name HA  ))
  ASSI { 2831}
    (( segid "    " and resid 68   and name HG1 ))
    (( segid "    " and resid 80   and name HB  ))
       4.300     2.500     1.700 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.86805E-03 ppm1      2.523 ppm2      2.027 CV     1
  OR { 2831}
    (( segid "    " and resid 48   and name HG1 ))
    (( segid "    " and resid 52   and name HB1 ))
  OR { 2831}
    (( segid "    " and resid 68   and name HG1 ))
    (( segid "    " and resid 65   and name HB2 ))
  ASSI { 2834}
    (( segid "    " and resid 68   and name HG1 ))
    (  segid "    " and resid 65   and name HD1%)
       3.900     2.100     2.100 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      2.526 ppm2      1.003 CV     1
  OR { 2834}
    (( segid "    " and resid 68   and name HG1 ))
    (  segid "    " and resid 65   and name HD2%)
  OR { 2834}
    (( segid "    " and resid 48   and name HG1 ))
    (( segid "    " and resid 50   and name HG12))
  OR { 2834}
    (( segid "    " and resid 48   and name HG1 ))
    (  segid "    " and resid 50   and name HG2%)
  ASSI { 2835}
    (( segid "    " and resid 68   and name HG1 ))
    (( segid "    " and resid 69   and name HN  ))
       4.000     2.200     2.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.84020E-03 ppm1      2.517 ppm2      8.338 CV     1
  OR { 2835}
    (( segid "    " and resid 48   and name HG1 ))
    (( segid "    " and resid 53   and name HN  ))
  ASSI { 2838}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 68   and name HA  ))
       2.800     1.000     1.500 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      2.629 ppm2      4.127 CV     1
  OR { 2838}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 48   and name HA  ))
  OR { 2838}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 80   and name HA  ))
  OR { 2838}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 47   and name HB  ))
  ASSI { 2839}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 78   and name HE1 ))
       4.600     2.800     1.400 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.49801E-03 ppm1      2.644 ppm2      3.048 CV     1
  OR { 2839}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 81   and name HB1 ))
  OR { 2839}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 53   and name HE1 ))
  ASSI { 2841}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 68   and name HB2 ))
       2.500     0.700     1.300 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.44654E-02 ppm1      2.629 ppm2      2.285 CV     1
  OR { 2841}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 52   and name HG2 ))
  OR { 2841}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 67   and name HG2 ))
  ASSI { 2842}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 80   and name HB  ))
       2.800     1.000     1.600 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      2.631 ppm2      1.997 CV     1
  OR { 2842}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 65   and name HB2 ))
  ASSI { 2845}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 82   and name HG11))
       4.400     2.600     1.600 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      2.625 ppm2      1.457 CV     1
  OR { 2845}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 78   and name HG1 ))
  OR { 2845}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 53   and name HG1 ))
  ASSI { 2846}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 82   and name HG12))
       4.300     2.500     1.700 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.62879E-03 ppm1      2.632 ppm2      1.149 CV     1
  OR { 2846}
    (( segid "    " and resid 68   and name HG2 ))
    (  segid "    " and resid 71   and name HG2%)
  OR { 2846}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 49   and name HB2 ))
  OR { 2846}
    (( segid "    " and resid 48   and name HG2 ))
    (  segid "    " and resid 47   and name HG2%)
  ASSI { 2847}
    (( segid "    " and resid 68   and name HG2 ))
    (  segid "    " and resid 82   and name HG2%)
       3.700     1.900     2.300 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.29491E-02 ppm1      2.628 ppm2      0.960 CV     1
  OR { 2847}
    (( segid "    " and resid 68   and name HG2 ))
    (  segid "    " and resid 65   and name HD1%)
  ASSI { 2850}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 69   and name HN  ))
       4.200     2.400     1.800 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.93620E-03 ppm1      2.630 ppm2      8.330 CV     1
  OR { 2850}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 66   and name HN  ))
  OR { 2850}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 53   and name HN  ))
  ASSI { 2853}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 68   and name HE22))
       4.400     2.600     1.600 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.37142E-03 ppm1      2.632 ppm2      7.059 CV     1
  OR { 2853}
    (( segid "    " and resid 48   and name HG2 ))
    (( segid "    " and resid 51   and name HD22))
  OR { 2853}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 81   and name HD2 ))
  ASSI {  681}
    (( segid "    " and resid 49   and name HN  ))
    (  segid "    " and resid 49   and name HD1%)
       3.700     1.900     2.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      8.540 ppm2      0.914 CV     1
  OR {  681}
    (( segid "    " and resid 49   and name HN  ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI {  682}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 45   and name HD2 ))
       3.200     1.400     2.100 peak   682 spectrum    1 weight  0.10000E+01 volume  0.45211E-02 ppm1      8.535 ppm2      1.710 CV     1
  OR {  682}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 53   and name HB2 ))
  OR {  682}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 55   and name HB1 ))
  ASSI {  683}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 46   and name HG2 ))
       3.300     1.500     2.200 peak   683 spectrum    1 weight  0.10000E+01 volume  0.59817E-02 ppm1      8.527 ppm2      2.063 CV     1
  OR {  683}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 52   and name HB1 ))
  OR {  683}
    (( segid "    " and resid 49   and name HN  ))
    (  segid "    " and resid 57   and name HE% )
  ASSI {  685}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 46   and name HA  ))
       3.100     1.300     1.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13911E-02 ppm1      8.536 ppm2      3.013 CV     1
  OR {  685}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 53   and name HE1 ))
  ASSI {  686}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 47   and name HA  ))
       4.700     2.900     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.17389E-03 ppm1      8.532 ppm2      3.722 CV     1
  OR {  686}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 45   and name HA  ))
  ASSI { 2859}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 53   and name HD1 ))
       3.300     1.500     2.100 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.35056E-02 ppm1      3.999 ppm2      1.702 CV     1
  OR { 2859}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 53   and name HB2 ))
  OR { 2859}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 45   and name HD2 ))
  OR { 2859}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 55   and name HB1 ))
  ASSI { 2864}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 49   and name HN  ))
       2.800     1.000     1.500 peak  2864 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      4.004 ppm2      8.536 CV     1
  OR { 2864}
    (( segid "    " and resid 70   and name HA  ))
    (( segid "    " and resid 70   and name HN  ))
  ASSI { 2865}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 53   and name HN  ))
       2.600     0.800     1.300 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.32273E-02 ppm1      4.000 ppm2      8.308 CV     1
  OR { 2865}
    (( segid "    " and resid 70   and name HA  ))
    (( segid "    " and resid 73   and name HN  ))
  ASSI { 2869}
    (( segid "    " and resid 49   and name HB1 ))
    (( segid "    " and resid 53   and name HE2 ))
       1.900     0.100     0.700 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.19058E-02 ppm1      1.926 ppm2      2.985 CV     1
  OR { 2869}
    (( segid "    " and resid 49   and name HB1 ))
    (( segid "    " and resid 46   and name HA  ))
  ASSI { 2871}
    (( segid "    " and resid 49   and name HB1 ))
    (  segid "    " and resid 49   and name HD1%)
       2.100     0.300     3.900 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.75399E-02 ppm1      1.924 ppm2      0.892 CV     1
  OR { 2871}
    (( segid "    " and resid 49   and name HB1 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 2872}
    (( segid "    " and resid 49   and name HB1 ))
    (( segid "    " and resid 49   and name HN  ))
       2.700     0.900     1.500 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.46741E-02 ppm1      1.920 ppm2      8.515 CV     1
  OR { 2872}
    (( segid "    " and resid 49   and name HB1 ))
    (( segid "    " and resid 50   and name HN  ))
  ASSI { 2874}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 46   and name HA  ))
       3.000     1.200     1.800 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.12381E-02 ppm1      1.120 ppm2      2.971 CV     1
  OR { 2874}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI { 2875}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 52   and name HB2 ))
       4.500     2.700     1.500 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.51610E-03 ppm1      1.123 ppm2      2.204 CV     1
  OR { 2875}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 70   and name HG1 ))
  ASSI { 2877}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 45   and name HD2 ))
       4.300     2.500     1.700 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.99602E-03 ppm1      1.125 ppm2      1.681 CV     1
  OR { 2877}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 53   and name HD1 ))
  OR { 2877}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 53   and name HB2 ))
  ASSI { 2880}
    (( segid "    " and resid 49   and name HB2 ))
    (  segid "    " and resid 49   and name HD1%)
       3.500     1.700     2.500 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.19336E-02 ppm1      1.122 ppm2      0.913 CV     1
  OR { 2880}
    (( segid "    " and resid 49   and name HB2 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 2883}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 46   and name HA  ))
       3.100     1.300     1.900 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.20310E-02 ppm1      0.882 ppm2      2.977 CV     1
  OR { 2883}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 53   and name HE2 ))
  ASSI { 2885}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 48   and name HB1 ))
       3.400     1.600     2.300 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      0.886 ppm2      2.326 CV     1
  OR { 2885}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 69   and name HB1 ))
  OR { 2885}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 69   and name HG1 ))
  OR { 2885}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 83   and name HG2 ))
  ASSI { 2886}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 49   and name HB1 ))
       2.400     0.600     1.100 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.38673E-02 ppm1      0.886 ppm2      1.926 CV     1
  OR { 2886}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 53   and name HB1 ))
  ASSI { 2887}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 45   and name HD2 ))
       2.300     0.500     1.100 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.81660E-02 ppm1      0.881 ppm2      1.678 CV     1
  OR { 2887}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 53   and name HD1 ))
  OR { 2887}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 53   and name HB2 ))
  ASSI { 2889}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 49   and name HB2 ))
       2.000     0.200     0.800 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.53835E-01 ppm1      0.887 ppm2      1.071 CV     1
  OR { 2889}
    (  segid "    " and resid 49   and name HD1%)
    (  segid "    " and resid 65   and name HD2%)
  ASSI {  693}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 49   and name HB1 ))
       2.700     0.900     1.500 peak   693 spectrum    1 weight  0.10000E+01 volume  0.48549E-02 ppm1      8.485 ppm2      1.915 CV     1
  OR {  693}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 46   and name HG1 ))
  OR {  693}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 53   and name HB1 ))
  ASSI {  694}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 53   and name HE2 ))
       4.100     2.300     1.900 peak   694 spectrum    1 weight  0.10000E+01 volume  0.83607E-03 ppm1      8.485 ppm2      2.930 CV     1
  OR {  694}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 51   and name HB1 ))
  OR {  694}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 57   and name HG2 ))
  ASSI { 2916}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 54   and name HA  ))
       5.200     3.400     0.800 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.21701E-03 ppm1      3.405 ppm2      4.133 CV     1
  OR { 2916}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 48   and name HA  ))
  OR { 2916}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 47   and name HB  ))
  OR { 2916}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 66   and name HA  ))
  ASSI { 2921}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 50   and name HB  ))
       3.200     1.400     2.100 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.14189E-02 ppm1      3.393 ppm2      1.898 CV     1
  OR { 2921}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 49   and name HB1 ))
  OR { 2921}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 53   and name HB1 ))
  ASSI { 2929}
    (( segid "    " and resid 50   and name HB  ))
    (( segid "    " and resid 48   and name HA  ))
       3.900     2.100     2.100 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.57592E-03 ppm1      1.869 ppm2      4.188 CV     1
  OR { 2929}
    (( segid "    " and resid 50   and name HB  ))
    (( segid "    " and resid 63   and name HA  ))
  ASSI { 2942}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 66   and name HN  ))
       4.600     2.800     1.400 peak  2942 spectrum    1 weight  0.10000E+01 volume  0.77347E-03 ppm1      0.877 ppm2      8.302 CV     1
  OR { 2942}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 53   and name HN  ))
  OR { 2942}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 67   and name HN  ))
  ASSI { 2948}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 83   and name HA  ))
       4.100     2.300     1.900 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.12812E-02 ppm1      1.034 ppm2      4.596 CV     1
  OR { 2948}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 62   and name HA  ))
  OR { 2948}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 51   and name HA  ))
  ASSI { 2949}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 65   and name HA  ))
       2.900     1.100     1.700 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.24344E-02 ppm1      1.035 ppm2      4.308 CV     1
  OR { 2949}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 53   and name HA  ))
  ASSI { 2951}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 66   and name HA  ))
       3.000     1.200     1.700 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.34499E-02 ppm1      1.037 ppm2      4.125 CV     1
  OR { 2951}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 47   and name HB  ))
  OR { 2951}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 66   and name HA  ))
  OR { 2951}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 54   and name HA  ))
  OR { 2951}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 69   and name HA  ))
  OR { 2951}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 68   and name HA  ))
  ASSI { 2954}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 53   and name HE2 ))
       3.200     1.400     2.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      1.039 ppm2      2.984 CV     1
  OR { 2954}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI { 2955}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 69   and name HG2 ))
       4.100     2.300     1.900 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.66354E-03 ppm1      1.036 ppm2      2.602 CV     1
  OR { 2955}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 68   and name HG2 ))
  ASSI { 2957}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 66   and name HG  ))
       2.000     0.200     0.800 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.11170E-01 ppm1      1.035 ppm2      1.970 CV     1
  OR { 2957}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 65   and name HB1 ))
  OR { 2957}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 66   and name HB1 ))
  OR { 2957}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 66   and name HB1 ))
  ASSI { 2961}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 67   and name HN  ))
       3.400     1.600     2.300 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.24205E-02 ppm1      1.033 ppm2      8.310 CV     1
  OR { 2961}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 66   and name HN  ))
  OR { 2961}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 66   and name HN  ))
  OR { 2961}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 53   and name HN  ))
  OR { 2961}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 67   and name HN  ))
  OR { 2961}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 82   and name HN  ))
  ASSI { 2962}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 65   and name HN  ))
       4.200     2.400     1.800 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.12909E-02 ppm1      1.033 ppm2      7.846 CV     1
  OR { 2962}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 55   and name HN  ))
  OR { 2962}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 65   and name HN  ))
  ASSI { 2963}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 68   and name HN  ))
       4.200     2.400     1.800 peak  2963 spectrum    1 weight  0.10000E+01 volume  0.62183E-03 ppm1      1.032 ppm2      8.053 CV     1
  OR { 2963}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 71   and name HN  ))
  OR { 2963}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 68   and name HN  ))
  OR { 2963}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 71   and name HN  ))
  ASSI { 2965}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 48   and name HN  ))
       3.700     1.900     2.300 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      1.034 ppm2      7.301 CV     1
  OR { 2965}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 42   and name HD1 ))
  OR { 2965}
    (  segid "    " and resid 65   and name HD2%)
    (  segid "    " and resid 73   and name HE% )
  OR { 2965}
    (  segid "    " and resid 66   and name HD1%)
    (  segid "    " and resid 73   and name HE% )
  OR { 2965}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 59   and name HD21))
  ASSI { 2966}
    (( segid "    " and resid 50   and name HG12))
    (( segid "    " and resid 46   and name HE22))
       3.500     1.700     2.400 peak  2966 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      1.034 ppm2      6.841 CV     1
  OR { 2966}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 42   and name HZ2 ))
  OR { 2966}
    (  segid "    " and resid 66   and name HD1%)
    (( segid "    " and resid 46   and name HE22))
  OR { 2966}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 46   and name HE22))
  OR { 2966}
    (  segid "    " and resid 65   and name HD2%)
    (( segid "    " and resid 42   and name HZ2 ))
  ASSI { 2971}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 54   and name HA  ))
       4.300     2.500     1.700 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.46184E-03 ppm1      1.004 ppm2      4.122 CV     1
  OR { 2971}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 47   and name HB  ))
  OR { 2971}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 48   and name HA  ))
  OR { 2971}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 66   and name HA  ))
  ASSI { 2974}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 57   and name HG2 ))
       4.200     2.400     1.800 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.35473E-03 ppm1      1.006 ppm2      2.912 CV     1
  OR { 2974}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 51   and name HB1 ))
  OR { 2974}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 53   and name HE2 ))
  OR { 2974}
    (  segid "    " and resid 50   and name HG2%)
    (( segid "    " and resid 62   and name HB2 ))
  ASSI {  705}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 50   and name HB  ))
       3.000     1.200     1.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.93620E-03 ppm1      7.722 ppm2      1.884 CV     1
  OR {  705}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 49   and name HB1 ))
  OR {  705}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 53   and name HB1 ))
  ASSI {  708}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 51   and name HB1 ))
       4.000     2.200     2.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.11101E-02 ppm1      7.722 ppm2      2.914 CV     1
  OR {  708}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI {  711}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 52   and name HA  ))
       4.600     2.800     1.400 peak   711 spectrum    1 weight  0.10000E+01 volume  0.46045E-03 ppm1      7.722 ppm2      4.110 CV     1
  OR {  711}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 54   and name HA  ))
  OR {  711}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 47   and name HB  ))
  ASSI { 2984}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 54   and name HA  ))
       3.000     1.200     1.700 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.18919E-02 ppm1      4.594 ppm2      4.101 CV     1
  OR { 2984}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 52   and name HA  ))
  ASSI { 2987}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 50   and name HB  ))
       3.000     1.200     1.800 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.31717E-02 ppm1      4.595 ppm2      1.847 CV     1
  OR { 2987}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 54   and name HB1 ))
  ASSI { 2988}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 53   and name HB2 ))
       4.100     2.300     1.900 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.91118E-03 ppm1      4.597 ppm2      1.706 CV     1
  OR { 2988}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 55   and name HB1 ))
  OR { 2988}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 53   and name HD1 ))
  ASSI { 2989}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 54   and name HG1 ))
       3.400     1.600     2.300 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.13563E-02 ppm1      4.595 ppm2      1.447 CV     1
  OR { 2989}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 53   and name HG1 ))
  ASSI { 2996}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 48   and name HA  ))
       4.100     2.300     1.900 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      2.927 ppm2      4.125 CV     1
  OR { 2996}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 54   and name HA  ))
  OR { 2996}
    (( segid "    " and resid 51   and name HB1 ))
    (( segid "    " and resid 47   and name HB  ))
  ASSI {  721}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 51   and name HB1 ))
       3.800     2.000     2.200 peak   721 spectrum    1 weight  0.10000E+01 volume  0.96127E-03 ppm1      8.952 ppm2      2.915 CV     1
  OR {  721}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI {  723}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 52   and name HA  ))
       3.100     1.300     2.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.11852E-02 ppm1      8.952 ppm2      4.085 CV     1
  OR {  723}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 54   and name HA  ))
  ASSI {  725}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 51   and name HD22))
       2.800     1.000     3.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.10628E-03 ppm1      8.953 ppm2      7.062 CV     1
  OR {  725}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 68   and name HE22))
  ASSI {  736}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 52   and name HA  ))
       3.600     1.800     2.400 peak   736 spectrum    1 weight  0.10000E+01 volume  0.10809E-02 ppm1      8.317 ppm2      4.093 CV     1
  OR {  736}
    (( segid "    " and resid 53   and name HN  ))
    (( segid "    " and resid 54   and name HA  ))
  ASSI { 3029}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HB1 ))
       2.400     0.600     1.100 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.31856E-02 ppm1      4.350 ppm2      1.923 CV     1
  OR { 3029}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 49   and name HB1 ))
  ASSI { 3038}
    (( segid "    " and resid 53   and name HB1 ))
    (  segid "    " and resid 65   and name HD2%)
       3.900     2.100     2.100 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.60094E-02 ppm1      1.937 ppm2      1.030 CV     1
  OR { 3038}
    (( segid "    " and resid 53   and name HB1 ))
    (  segid "    " and resid 50   and name HG2%)
  OR { 3038}
    (( segid "    " and resid 53   and name HB1 ))
    (( segid "    " and resid 50   and name HG12))
  ASSI { 3044}
    (( segid "    " and resid 53   and name HD1 ))
    (  segid "    " and resid 65   and name HD1%)
       2.900     1.100     1.700 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.59675E-02 ppm1      1.659 ppm2      0.950 CV     1
  OR { 3044}
    (( segid "    " and resid 53   and name HD1 ))
    (  segid "    " and resid 82   and name HG2%)
  ASSI { 3057}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 49   and name HB1 ))
       4.000     2.200     2.000 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.31021E-04 ppm1      2.942 ppm2      1.906 CV     1
  OR { 3057}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 53   and name HB1 ))
  OR { 3057}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 50   and name HB  ))
  OR { 3057}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 65   and name HG  ))
  ASSI { 3061}
    (( segid "    " and resid 53   and name HE2 ))
    (  segid "    " and resid 49   and name HD1%)
       3.000     1.200     1.800 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.22675E-02 ppm1      2.940 ppm2      0.872 CV     1
  OR { 3061}
    (( segid "    " and resid 53   and name HE2 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI { 3070}
    (( segid "    " and resid 53   and name HG1 ))
    (( segid "    " and resid 53   and name HB1 ))
       1.900     0.100     4.100 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.19058E-01 ppm1      1.475 ppm2      1.910 CV     1
  OR { 3070}
    (( segid "    " and resid 53   and name HG1 ))
    (( segid "    " and resid 49   and name HB1 ))
  ASSI {  744}
    (( segid "    " and resid 54   and name HN  ))
    (  segid "    " and resid 50   and name HG2%)
       3.900     2.100     2.100 peak   744 spectrum    1 weight  0.10000E+01 volume  0.79990E-03 ppm1      7.515 ppm2      0.985 CV     1
  OR {  744}
    (( segid "    " and resid 54   and name HN  ))
    (  segid "    " and resid 65   and name HD1%)
  ASSI {  745}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 54   and name HG1 ))
       3.900     2.100     2.100 peak   745 spectrum    1 weight  0.10000E+01 volume  0.13452E-02 ppm1      7.515 ppm2      1.444 CV     1
  OR {  745}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 53   and name HG1 ))
  ASSI {  750}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 54   and name HA  ))
       2.800     1.000     1.500 peak   750 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      7.515 ppm2      4.115 CV     1
  OR {  750}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 52   and name HA  ))
  ASSI { 3091}
    (( segid "    " and resid 78   and name HG2 ))
    (( segid "    " and resid 78   and name HA  ))
       3.500     1.700     2.500 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      1.403 ppm2      4.404 CV     1
  OR { 3091}
    (( segid "    " and resid 54   and name HG1 ))
    (( segid "    " and resid 55   and name HA  ))
  ASSI { 3092}
    (( segid "    " and resid 54   and name HG1 ))
    (( segid "    " and resid 54   and name HA  ))
       2.400     0.600     1.200 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.24900E-02 ppm1      1.415 ppm2      4.112 CV     1
  OR { 3092}
    (( segid "    " and resid 78   and name HG2 ))
    (( segid "    " and resid 68   and name HA  ))
  ASSI { 3093}
    (( segid "    " and resid 54   and name HG1 ))
    (( segid "    " and resid 54   and name HE1 ))
       2.400     0.600     1.200 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.25318E-02 ppm1      1.406 ppm2      3.064 CV     1
  OR { 3093}
    (( segid "    " and resid 78   and name HG2 ))
    (( segid "    " and resid 78   and name HE1 ))
  ASSI { 3097}
    (( segid "    " and resid 78   and name HG2 ))
    (( segid "    " and resid 73   and name HN  ))
       4.200     2.400     1.800 peak  3097 spectrum    1 weight  0.10000E+01 volume  0.64130E-03 ppm1      1.423 ppm2      8.335 CV     1
  OR { 3097}
    (( segid "    " and resid 54   and name HG1 ))
    (( segid "    " and resid 53   and name HN  ))
  OR { 3097}
    (( segid "    " and resid 78   and name HG2 ))
    (( segid "    " and resid 69   and name HN  ))
  ASSI {  759}
    (( segid "    " and resid 55   and name HN  ))
    (  segid "    " and resid 50   and name HG2%)
       3.600     1.800     2.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      7.830 ppm2      0.996 CV     1
  OR {  759}
    (( segid "    " and resid 55   and name HN  ))
    (  segid "    " and resid 65   and name HD2%)
  OR {  759}
    (( segid "    " and resid 55   and name HN  ))
    (  segid "    " and resid 65   and name HD1%)
  ASSI { 3103}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 56   and name HB1 ))
       4.400     2.600     1.600 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.60236E-03 ppm1      4.438 ppm2      3.268 CV     1
  OR { 3103}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 59   and name HB1 ))
  ASSI { 3104}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 56   and name HB2 ))
       5.900     4.100     0.100 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.24762E-03 ppm1      4.439 ppm2      2.929 CV     1
  OR { 3104}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 62   and name HB2 ))
  OR { 3104}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI { 3105}
    (( segid "    " and resid 55   and name HA  ))
    (  segid "    " and resid 57   and name HE% )
       3.900     2.100     2.100 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.12840E-02 ppm1      4.449 ppm2      2.042 CV     1
  OR { 3105}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 65   and name HB2 ))
  ASSI { 3106}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 55   and name HB1 ))
       2.600     0.800     1.400 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.20727E-02 ppm1      4.440 ppm2      1.697 CV     1
  OR { 3106}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 53   and name HB2 ))
  ASSI { 3108}
    (( segid "    " and resid 55   and name HA  ))
    (  segid "    " and resid 50   and name HG2%)
       4.300     2.500     1.700 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.67328E-03 ppm1      4.440 ppm2      0.990 CV     1
  OR { 3108}
    (( segid "    " and resid 55   and name HA  ))
    (  segid "    " and resid 65   and name HD1%)
  OR { 3108}
    (( segid "    " and resid 55   and name HA  ))
    (  segid "    " and resid 66   and name HD1%)
  ASSI { 3114}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 55   and name HN  ))
       3.000     1.200     1.800 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.71783E-03 ppm1      4.439 ppm2      7.847 CV     1
  OR { 3114}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 56   and name HD21))
  OR { 3114}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI { 3119}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 62   and name HB2 ))
       3.400     1.600     2.400 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      1.181 ppm2      2.929 CV     1
  OR { 3119}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 56   and name HB2 ))
  OR { 3119}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 53   and name HE2 ))
  OR { 3119}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 57   and name HG2 ))
  ASSI { 3127}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 55   and name HN  ))
       4.300     2.500     1.700 peak  3127 spectrum    1 weight  0.10000E+01 volume  0.33525E-03 ppm1      1.181 ppm2      7.834 CV     1
  OR { 3127}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 62   and name HN  ))
  OR { 3127}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 56   and name HD21))
  ASSI { 3129}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 62   and name HA  ))
       1.800     0.000     4.200 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.99880E-03 ppm1      0.162 ppm2      4.618 CV     1
  OR { 3129}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 51   and name HA  ))
  ASSI { 3131}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 62   and name HB1 ))
       2.200     0.400     1.000 peak  3131 spectrum    1 weight  0.10000E+01 volume  0.33665E-03 ppm1      0.164 ppm2      4.067 CV     1
  OR { 3131}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 52   and name HA  ))
  ASSI { 3134}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 53   and name HB1 ))
       3.100     1.300     2.000 peak  3134 spectrum    1 weight  0.10000E+01 volume  0.11003E-02 ppm1      0.163 ppm2      1.941 CV     1
  OR { 3134}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 49   and name HB1 ))
  ASSI { 3135}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 55   and name HB1 ))
       1.800     0.000     4.200 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.20727E-02 ppm1      0.164 ppm2      1.695 CV     1
  OR { 3135}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 53   and name HB2 ))
  OR { 3135}
    (  segid "    " and resid 55   and name HD2%)
    (( segid "    " and resid 53   and name HD1 ))
  ASSI { 3149}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 53   and name HE2 ))
       5.000     3.200     1.000 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.41315E-03 ppm1      0.729 ppm2      2.918 CV     1
  OR { 3149}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 62   and name HB2 ))
  OR { 3149}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 57   and name HG2 ))
  ASSI { 3150}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 53   and name HB1 ))
       4.100     2.300     1.900 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.22814E-02 ppm1      0.728 ppm2      1.956 CV     1
  OR { 3150}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 49   and name HB1 ))
  OR { 3150}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 65   and name HB1 ))
  ASSI { 3151}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 55   and name HB1 ))
       2.800     1.000     1.500 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.35056E-02 ppm1      0.728 ppm2      1.697 CV     1
  OR { 3151}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 53   and name HB2 ))
  OR { 3151}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 53   and name HD1 ))
  ASSI { 3153}
    (( segid "    " and resid 55   and name HG  ))
    (  segid "    " and resid 50   and name HG2%)
       2.100     0.300     0.900 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.90280E-02 ppm1      0.727 ppm2      1.036 CV     1
  OR { 3153}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 50   and name HG12))
  OR { 3153}
    (( segid "    " and resid 55   and name HG  ))
    (  segid "    " and resid 65   and name HD2%)
  ASSI { 3159}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 50   and name HN  ))
       4.900     3.100     1.100 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.41038E-03 ppm1      0.726 ppm2      8.510 CV     1
  OR { 3159}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 61   and name HN  ))
  ASSI { 3160}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 53   and name HN  ))
       5.100     3.300     0.900 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.44793E-03 ppm1      0.728 ppm2      8.316 CV     1
  OR { 3160}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 66   and name HN  ))
  ASSI { 3161}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 55   and name HN  ))
       3.600     1.800     2.400 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.34777E-03 ppm1      0.728 ppm2      7.832 CV     1
  OR { 3161}
    (( segid "    " and resid 55   and name HG  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  776}
    (( segid "    " and resid 56   and name HN  ))
    (  segid "    " and resid 57   and name HE% )
       4.500     2.700     1.500 peak   776 spectrum    1 weight  0.10000E+01 volume  0.22397E-03 ppm1     12.186 ppm2      2.052 CV     1
  OR {  776}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 65   and name HB2 ))
  ASSI {  778}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 56   and name HB2 ))
       3.800     2.000     2.200 peak   778 spectrum    1 weight  0.10000E+01 volume  0.47993E-03 ppm1     12.186 ppm2      2.952 CV     1
  OR {  778}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 53   and name HE2 ))
  ASSI {  779}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 56   and name HB1 ))
       3.600     1.800     2.400 peak   779 spectrum    1 weight  0.10000E+01 volume  0.49106E-03 ppm1     12.186 ppm2      3.251 CV     1
  OR {  779}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 59   and name HB1 ))
  ASSI {  784}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 56   and name HD21))
       4.200     2.400     1.800 peak   784 spectrum    1 weight  0.10000E+01 volume  0.35473E-03 ppm1     12.186 ppm2      7.865 CV     1
  OR {  784}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 55   and name HN  ))
  OR {  784}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  786}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 58   and name HN  ))
       6.000     4.200     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.73311E-04 ppm1     12.187 ppm2      8.422 CV     1
  OR {  786}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 60   and name HN  ))
  ASSI { 3167}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 58   and name HB2 ))
       6.000     4.200     0.000 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.42428E-04 ppm1      4.931 ppm2      2.145 CV     1
  OR { 3167}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 57   and name HB1 ))
  ASSI {  793}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 56   and name HB1 ))
       5.100     3.300     0.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.32134E-03 ppm1      9.118 ppm2      3.254 CV     1
  OR {  793}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 59   and name HB1 ))
  ASSI {  794}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 57   and name HA  ))
       3.500     1.700     2.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.49245E-03 ppm1      9.116 ppm2      4.510 CV     1
  OR {  794}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 58   and name HA  ))
  ASSI {  796}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 56   and name HD21))
       5.500     3.700     0.500 peak   796 spectrum    1 weight  0.10000E+01 volume  0.10990E-03 ppm1      9.116 ppm2      7.882 CV     1
  OR {  796}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI { 3172}
    (( segid "    " and resid 57   and name HA  ))
    (  segid "    " and resid 50   and name HG2%)
       4.500     2.700     1.500 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.10823E-02 ppm1      4.502 ppm2      1.015 CV     1
  OR { 3172}
    (( segid "    " and resid 57   and name HA  ))
    (  segid "    " and resid 66   and name HD1%)
  OR { 3172}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 50   and name HG12))
  ASSI { 3174}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HB1 ))
       1.800     0.000     4.200 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.15302E-01 ppm1      4.505 ppm2      2.135 CV     1
  OR { 3174}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 58   and name HB2 ))
  OR { 3174}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 63   and name HB1 ))
  ASSI { 3176}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 62   and name HB2 ))
       2.600     0.800     1.300 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.44932E-02 ppm1      4.507 ppm2      2.888 CV     1
  OR { 3176}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HG2 ))
  ASSI { 3181}
    (( segid "    " and resid 57   and name HB1 ))
    (( segid "    " and resid 57   and name HN  ))
       3.300     1.500     2.200 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.29631E-02 ppm1      2.116 ppm2      9.123 CV     1
  OR { 3181}
    (( segid "    " and resid 58   and name HB2 ))
    (( segid "    " and resid 57   and name HN  ))
  ASSI { 3182}
    (( segid "    " and resid 58   and name HB1 ))
    (( segid "    " and resid 58   and name HA  ))
       3.000     1.200     1.900 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.21979E-02 ppm1      2.262 ppm2      4.533 CV     1
  OR { 3182}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 57   and name HA  ))
  OR { 3182}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 58   and name HA  ))
  ASSI { 3188}
    (( segid "    " and resid 71   and name HB  ))
    (( segid "    " and resid 78   and name HN  ))
       3.200     1.400     2.100 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.33665E-02 ppm1      2.236 ppm2      8.069 CV     1
  OR { 3188}
    (( segid "    " and resid 71   and name HB  ))
    (( segid "    " and resid 75   and name HN  ))
  ASSI { 3193}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 63   and name HA  ))
       3.900     2.100     2.100 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.78043E-03 ppm1      2.072 ppm2      4.139 CV     1
  OR { 3193}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 66   and name HA  ))
  ASSI { 3196}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 62   and name HB2 ))
       3.200     1.400     2.000 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.74143E-03 ppm1      2.072 ppm2      2.904 CV     1
  OR { 3196}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 57   and name HG2 ))
  ASSI { 3199}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 53   and name HD1 ))
       4.200     2.400     1.800 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.42707E-03 ppm1      2.071 ppm2      1.683 CV     1
  OR { 3199}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 64   and name HG2 ))
  ASSI { 3205}
    (  segid "    " and resid 57   and name HE% )
    (  segid "    " and resid 50   and name HG2%)
       2.600     0.800     1.300 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.27266E-02 ppm1      2.071 ppm2      1.026 CV     1
  OR { 3205}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 50   and name HG12))
  OR { 3205}
    (  segid "    " and resid 57   and name HE% )
    (  segid "    " and resid 66   and name HD1%)
  ASSI { 3209}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 62   and name HN  ))
       4.600     2.800     1.400 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.33525E-03 ppm1      2.073 ppm2      7.843 CV     1
  OR { 3209}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 56   and name HD21))
  OR { 3209}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 65   and name HN  ))
  ASSI { 3212}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 46   and name HE22))
       4.600     2.800     1.400 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.40759E-03 ppm1      2.073 ppm2      6.886 CV     1
  OR { 3212}
    (  segid "    " and resid 57   and name HE% )
    (( segid "    " and resid 42   and name HZ2 ))
  ASSI {  803}
    (( segid "    " and resid 58   and name HN  ))
    (  segid "    " and resid 58   and name HE% )
       3.500     1.700     2.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.50914E-02 ppm1      8.445 ppm2      2.166 CV     1
  OR {  803}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 63   and name HB1 ))
  ASSI {  804}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 58   and name HG1 ))
       3.300     1.500     2.200 peak   804 spectrum    1 weight  0.10000E+01 volume  0.47714E-02 ppm1      8.445 ppm2      2.553 CV     1
  OR {  804}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 57   and name HG1 ))
  ASSI {  808}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 58   and name HA  ))
       2.700     0.900     1.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      8.445 ppm2      4.512 CV     1
  OR {  808}
    (( segid "    " and resid 58   and name HN  ))
    (( segid "    " and resid 57   and name HA  ))
  ASSI { 3231}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 58   and name HB1 ))
       2.500     0.700     1.300 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.83884E-02 ppm1      4.532 ppm2      2.250 CV     1
  OR { 3231}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 57   and name HB2 ))
  ASSI { 3232}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 58   and name HB2 ))
       2.100     0.300     0.900 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.93484E-02 ppm1      4.528 ppm2      2.113 CV     1
  OR { 3232}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 57   and name HB1 ))
  ASSI { 3250}
    (  segid "    " and resid 58   and name HE% )
    (( segid "    " and resid 58   and name HN  ))
       2.000     0.200     4.000 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.58147E-03 ppm1      2.166 ppm2      8.435 CV     1
  OR { 3250}
    (  segid "    " and resid 58   and name HE% )
    (( segid "    " and resid 60   and name HN  ))
  ASSI { 3256}
    (( segid "    " and resid 58   and name HG2 ))
    (( segid "    " and resid 58   and name HN  ))
       4.400     2.600     1.600 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.67192E-03 ppm1      2.791 ppm2      8.428 CV     1
  OR { 3256}
    (( segid "    " and resid 58   and name HG2 ))
    (( segid "    " and resid 60   and name HN  ))
  ASSI {  820}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 59   and name HB1 ))
       2.700     0.900     1.400 peak   820 spectrum    1 weight  0.10000E+01 volume  0.20032E-02 ppm1      8.188 ppm2      3.245 CV     1
  OR {  820}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 56   and name HB1 ))
  ASSI {  821}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 58   and name HB2 ))
       3.500     1.700     2.400 peak   821 spectrum    1 weight  0.10000E+01 volume  0.29074E-02 ppm1      8.191 ppm2      2.094 CV     1
  OR {  821}
    (( segid "    " and resid 59   and name HN  ))
    (  segid "    " and resid 57   and name HE% )
  OR {  821}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 57   and name HB1 ))
  ASSI {  824}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 56   and name HD21))
       1.800     0.000     4.200 peak   824 spectrum    1 weight  0.10000E+01 volume  0.11324E-01 ppm1      8.191 ppm2      7.857 CV     1
  OR {  824}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI { 3268}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HB1 ))
       3.500     1.700     2.400 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.66773E-03 ppm1      4.755 ppm2      3.252 CV     1
  OR { 3268}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 56   and name HB1 ))
  ASSI { 3269}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HB2 ))
       2.700     0.900     1.500 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      4.755 ppm2      2.440 CV     1
  OR { 3269}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 61   and name HG2 ))
  ASSI { 3270}
    (( segid "    " and resid 59   and name HA  ))
    (  segid "    " and resid 58   and name HE% )
       2.300     0.500     3.700 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.56619E-03 ppm1      4.753 ppm2      2.193 CV     1
  OR { 3270}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 67   and name HG1 ))
  OR { 3270}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 70   and name HG1 ))
  ASSI { 3274}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 56   and name HD21))
       5.700     3.900     0.300 peak  3274 spectrum    1 weight  0.10000E+01 volume  0.10099E-03 ppm1      4.756 ppm2      7.891 CV     1
  OR { 3274}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI { 3278}
    (( segid "    " and resid 59   and name HB1 ))
    (( segid "    " and resid 57   and name HA  ))
       4.300     2.500     1.700 peak  3278 spectrum    1 weight  0.10000E+01 volume  0.79848E-03 ppm1      3.253 ppm2      4.469 CV     1
  OR { 3278}
    (( segid "    " and resid 59   and name HB1 ))
    (( segid "    " and resid 55   and name HA  ))
  ASSI { 3281}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 64   and name HB1 ))
       3.900     2.100     2.100 peak  3281 spectrum    1 weight  0.10000E+01 volume  0.19476E-02 ppm1      3.962 ppm2      2.072 CV     1
  OR { 3281}
    (( segid "    " and resid 60   and name HA  ))
    (  segid "    " and resid 57   and name HE% )
  ASSI { 3285}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 60   and name HN  ))
       3.300     1.500     2.200 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.86946E-03 ppm1      3.963 ppm2      8.418 CV     1
  OR { 3285}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
  ASSI { 3286}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 64   and name HN  ))
       4.100     2.300     1.900 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.55504E-03 ppm1      3.955 ppm2      7.904 CV     1
  OR { 3286}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 56   and name HD21))
  ASSI { 3292}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 61   and name HG2 ))
       4.700     2.900     1.300 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.47576E-03 ppm1      1.588 ppm2      2.445 CV     1
  OR { 3292}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 59   and name HB2 ))
  ASSI { 3294}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 63   and name HB2 ))
       4.000     2.200     2.000 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.10753E-02 ppm1      1.584 ppm2      2.038 CV     1
  OR { 3294}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 64   and name HB1 ))
  ASSI { 3298}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 62   and name HN  ))
       4.700     2.900     1.300 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.50914E-03 ppm1      1.587 ppm2      7.883 CV     1
  OR { 3298}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 64   and name HN  ))
  OR { 3298}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 56   and name HD21))
  OR { 3298}
    (  segid "    " and resid 60   and name HB% )
    (( segid "    " and resid 65   and name HN  ))
  ASSI {  832}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 61   and name HG2 ))
       3.300     1.500     2.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.32413E-02 ppm1      8.527 ppm2      2.417 CV     1
  OR {  832}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 59   and name HB2 ))
  ASSI {  834}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 59   and name HB1 ))
       3.600     1.800     2.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.63853E-03 ppm1      8.523 ppm2      3.253 CV     1
  OR {  834}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 63   and name HD1 ))
  ASSI {  842}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
       3.000     1.200     1.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.70249E-03 ppm1      8.524 ppm2      7.860 CV     1
  OR {  842}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 56   and name HD21))
  ASSI { 3300}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 61   and name HB1 ))
       1.800     0.000     0.700 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.20032E-01 ppm1      4.243 ppm2      2.281 CV     1
  OR { 3300}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 67   and name HG2 ))
  ASSI { 3302}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 64   and name HD1 ))
       2.300     0.500     1.100 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.64549E-02 ppm1      4.243 ppm2      1.805 CV     1
  OR { 3302}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 64   and name HD1 ))
  ASSI { 3303}
    (( segid "    " and resid 61   and name HA  ))
    (  segid "    " and resid 60   and name HB% )
       2.800     1.000     1.600 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.51053E-02 ppm1      4.245 ppm2      1.606 CV     1
  OR { 3303}
    (( segid "    " and resid 64   and name HA  ))
    (  segid "    " and resid 60   and name HB% )
  ASSI { 3305}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 67   and name HN  ))
       2.700     0.900     1.500 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.31856E-02 ppm1      4.245 ppm2      8.312 CV     1
  OR { 3305}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 66   and name HN  ))
  OR { 3305}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 66   and name HN  ))
  ASSI { 3306}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 64   and name HN  ))
       2.600     0.800     1.300 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      4.244 ppm2      7.897 CV     1
  OR { 3306}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 64   and name HN  ))
  ASSI { 3307}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 62   and name HD2 ))
       3.800     2.000     2.200 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.13716E-02 ppm1      4.239 ppm2      6.855 CV     1
  OR { 3307}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 62   and name HD2 ))
  OR { 3307}
    (( segid "    " and resid 64   and name HA  ))
    (( segid "    " and resid 42   and name HZ2 ))
  ASSI { 3309}
    (( segid "    " and resid 61   and name HB1 ))
    (( segid "    " and resid 61   and name HG2 ))
       1.800     0.000     4.200 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.11921E+00 ppm1      2.296 ppm2      2.434 CV     1
  OR { 3309}
    (( segid "    " and resid 61   and name HB1 ))
    (( segid "    " and resid 59   and name HB2 ))
  ASSI { 3312}
    (( segid "    " and resid 61   and name HB1 ))
    (( segid "    " and resid 62   and name HN  ))
       3.600     1.800     2.400 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.13702E-02 ppm1      2.290 ppm2      7.871 CV     1
  OR { 3312}
    (( segid "    " and resid 61   and name HB1 ))
    (( segid "    " and resid 56   and name HD21))
  ASSI { 3318}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 62   and name HN  ))
       2.800     1.000     1.500 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.12200E-02 ppm1      2.237 ppm2      7.883 CV     1
  OR { 3318}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 64   and name HN  ))
  OR { 3318}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 56   and name HD21))
  ASSI { 3321}
    (( segid "    " and resid 61   and name HG1 ))
    (  segid "    " and resid 60   and name HB% )
       3.000     1.200     1.800 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.21423E-02 ppm1      2.515 ppm2      1.582 CV     1
  OR { 3321}
    (( segid "    " and resid 61   and name HG1 ))
    (( segid "    " and resid 64   and name HG1 ))
  ASSI { 3324}
    (( segid "    " and resid 61   and name HG1 ))
    (( segid "    " and resid 62   and name HN  ))
       5.100     3.300     0.900 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.28796E-03 ppm1      2.512 ppm2      7.877 CV     1
  OR { 3324}
    (( segid "    " and resid 61   and name HG1 ))
    (( segid "    " and resid 64   and name HN  ))
  OR { 3324}
    (( segid "    " and resid 61   and name HG1 ))
    (( segid "    " and resid 56   and name HD21))
  ASSI { 3328}
    (( segid "    " and resid 61   and name HG2 ))
    (  segid "    " and resid 60   and name HB% )
       3.300     1.500     2.200 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.30743E-02 ppm1      2.411 ppm2      1.552 CV     1
  OR { 3328}
    (( segid "    " and resid 61   and name HG2 ))
    (( segid "    " and resid 64   and name HG1 ))
  ASSI {  847}
    (( segid "    " and resid 62   and name HN  ))
    (  segid "    " and resid 65   and name HD2%)
       4.500     2.700     1.500 peak   847 spectrum    1 weight  0.10000E+01 volume  0.78043E-03 ppm1      7.858 ppm2      1.054 CV     1
  OR {  847}
    (( segid "    " and resid 62   and name HN  ))
    (  segid "    " and resid 66   and name HD1%)
  OR {  847}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 50   and name HG12))
  ASSI {  849}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 65   and name HB2 ))
       3.500     1.700     2.400 peak   849 spectrum    1 weight  0.10000E+01 volume  0.26014E-02 ppm1      7.863 ppm2      2.053 CV     1
  OR {  849}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 64   and name HB1 ))
  OR {  849}
    (( segid "    " and resid 62   and name HN  ))
    (  segid "    " and resid 57   and name HE% )
  ASSI {  852}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 59   and name HB1 ))
       3.200     1.400     2.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.35195E-03 ppm1      7.861 ppm2      3.265 CV     1
  OR {  852}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 63   and name HD1 ))
  ASSI { 3331}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 61   and name HA  ))
       3.000     1.200     1.800 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.29908E-02 ppm1      4.595 ppm2      4.254 CV     1
  OR { 3331}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 64   and name HA  ))
  ASSI { 3335}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 65   and name HB2 ))
       2.300     0.500     1.100 peak  3335 spectrum    1 weight  0.10000E+01 volume  0.63156E-02 ppm1      4.612 ppm2      2.036 CV     1
  OR { 3335}
    (( segid "    " and resid 62   and name HA  ))
    (  segid "    " and resid 57   and name HE% )
  OR { 3335}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 63   and name HB2 ))
  ASSI { 3336}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 64   and name HG2 ))
       3.800     2.000     2.200 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      4.607 ppm2      1.685 CV     1
  OR { 3336}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 53   and name HD1 ))
  ASSI { 3337}
    (( segid "    " and resid 62   and name HA  ))
    (  segid "    " and resid 65   and name HD2%)
       3.700     1.900     2.300 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.18501E-02 ppm1      4.600 ppm2      1.025 CV     1
  OR { 3337}
    (( segid "    " and resid 62   and name HA  ))
    (  segid "    " and resid 66   and name HD1%)
  OR { 3337}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 50   and name HG12))
  ASSI { 3342}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
       2.600     0.800     1.300 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      4.606 ppm2      7.857 CV     1
  OR { 3342}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 65   and name HN  ))
  ASSI { 3348}
    (( segid "    " and resid 62   and name HB1 ))
    (  segid "    " and resid 65   and name HD1%)
       3.900     2.100     2.100 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.59958E-03 ppm1      4.037 ppm2      0.992 CV     1
  OR { 3348}
    (( segid "    " and resid 62   and name HB1 ))
    (  segid "    " and resid 66   and name HD1%)
  ASSI { 3350}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 62   and name HN  ))
       4.300     2.500     1.700 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.47436E-03 ppm1      4.024 ppm2      7.885 CV     1
  OR { 3350}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 65   and name HN  ))
  OR { 3350}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 64   and name HN  ))
  OR { 3350}
    (( segid "    " and resid 62   and name HB1 ))
    (( segid "    " and resid 56   and name HD21))
  ASSI { 3355}
    (( segid "    " and resid 62   and name HB2 ))
    (  segid "    " and resid 65   and name HD2%)
       3.900     2.100     2.100 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      2.901 ppm2      1.016 CV     1
  OR { 3355}
    (( segid "    " and resid 62   and name HB2 ))
    (  segid "    " and resid 66   and name HD1%)
  OR { 3355}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 50   and name HG12))
  ASSI { 3358}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 57   and name HA  ))
       3.500     1.700     2.400 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.61487E-03 ppm1      2.895 ppm2      4.510 CV     1
  OR { 3358}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 58   and name HA  ))
  ASSI { 3359}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 62   and name HN  ))
       3.700     1.900     2.300 peak  3359 spectrum    1 weight  0.10000E+01 volume  0.19476E-03 ppm1      2.909 ppm2      7.879 CV     1
  OR { 3359}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 56   and name HD21))
  OR { 3359}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 64   and name HN  ))
  OR { 3359}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 65   and name HN  ))
  ASSI {  864}
    (( segid "    " and resid 63   and name HN  ))
    (  segid "    " and resid 65   and name HD2%)
       4.100     2.300     1.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      8.380 ppm2      1.023 CV     1
  OR {  864}
    (( segid "    " and resid 63   and name HN  ))
    (  segid "    " and resid 66   and name HD1%)
  OR {  864}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 50   and name HG12))
  ASSI {  866}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 64   and name HB1 ))
       3.400     1.600     2.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.30187E-02 ppm1      8.378 ppm2      2.055 CV     1
  OR {  866}
    (( segid "    " and resid 63   and name HN  ))
    (  segid "    " and resid 57   and name HE% )
  OR {  866}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 65   and name HB2 ))
  ASSI {  873}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
       2.900     1.100     1.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.96404E-03 ppm1      8.378 ppm2      7.874 CV     1
  OR {  873}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 65   and name HN  ))
  ASSI { 3360}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HB2 ))
       2.200     0.400     0.900 peak  3360 spectrum    1 weight  0.10000E+01 volume  0.10614E-01 ppm1      4.168 ppm2      2.020 CV     1
  OR { 3360}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 66   and name HB1 ))
  OR { 3360}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 66   and name HG  ))
  OR { 3360}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 46   and name HG2 ))
  ASSI { 3364}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 64   and name HN  ))
       2.900     1.100     1.600 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.18641E-02 ppm1      4.167 ppm2      7.890 CV     1
  OR { 3364}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  876}
    (( segid "    " and resid 64   and name HN  ))
    (  segid "    " and resid 65   and name HD2%)
       5.400     3.600     0.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.32969E-03 ppm1      7.917 ppm2      1.002 CV     1
  OR {  876}
    (( segid "    " and resid 64   and name HN  ))
    (  segid "    " and resid 65   and name HD1%)
  OR {  876}
    (( segid "    " and resid 64   and name HN  ))
    (  segid "    " and resid 66   and name HD1%)
  ASSI {  882}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 60   and name HA  ))
       3.700     1.900     2.300 peak   882 spectrum    1 weight  0.10000E+01 volume  0.91254E-03 ppm1      7.918 ppm2      3.982 CV     1
  OR {  882}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 67   and name HA  ))
  ASSI {  884}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 62   and name HA  ))
       3.800     2.000     2.200 peak   884 spectrum    1 weight  0.10000E+01 volume  0.47297E-03 ppm1      7.916 ppm2      4.592 CV     1
  OR {  884}
    (( segid "    " and resid 64   and name HN  ))
    (( segid "    " and resid 83   and name HA  ))
  ASSI { 3367}
    (( segid "    " and resid 64   and name HB1 ))
    (( segid "    " and resid 64   and name HA  ))
       2.000     0.200     0.800 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.82910E-02 ppm1      2.062 ppm2      4.247 CV     1
  OR { 3367}
    (( segid "    " and resid 64   and name HB1 ))
    (( segid "    " and resid 61   and name HA  ))
  ASSI { 3369}
    (( segid "    " and resid 64   and name HB1 ))
    (( segid "    " and resid 66   and name HN  ))
       3.200     1.400     2.000 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.33386E-02 ppm1      2.073 ppm2      8.302 CV     1
  OR { 3369}
    (( segid "    " and resid 64   and name HB1 ))
    (( segid "    " and resid 67   and name HN  ))
  ASSI { 3372}
    (( segid "    " and resid 64   and name HD1 ))
    (( segid "    " and resid 63   and name HN  ))
       2.300     0.500     3.700 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      1.776 ppm2      8.369 CV     1
  OR { 3372}
    (( segid "    " and resid 64   and name HD1 ))
    (( segid "    " and resid 69   and name HN  ))
  ASSI { 3376}
    (( segid "    " and resid 64   and name HG2 ))
    (( segid "    " and resid 64   and name HA  ))
       3.000     1.200     1.800 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.95431E-03 ppm1      1.681 ppm2      4.250 CV     1
  OR { 3376}
    (( segid "    " and resid 64   and name HG2 ))
    (( segid "    " and resid 61   and name HA  ))
  ASSI {  893}
    (( segid "    " and resid 65   and name HN  ))
    (  segid "    " and resid 65   and name HD2%)
       4.700     2.900     1.300 peak   893 spectrum    1 weight  0.10000E+01 volume  0.64826E-03 ppm1      7.850 ppm2      1.014 CV     1
  OR {  893}
    (( segid "    " and resid 65   and name HN  ))
    (  segid "    " and resid 66   and name HD1%)
  ASSI {  895}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 65   and name HB2 ))
       2.400     0.600     1.100 peak   895 spectrum    1 weight  0.10000E+01 volume  0.31160E-02 ppm1      7.849 ppm2      2.013 CV     1
  OR {  895}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 66   and name HB1 ))
  OR {  895}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 63   and name HB2 ))
  ASSI {  898}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 62   and name HA  ))
       3.400     1.600     2.300 peak   898 spectrum    1 weight  0.10000E+01 volume  0.74839E-03 ppm1      7.850 ppm2      4.595 CV     1
  OR {  898}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 83   and name HA  ))
  ASSI {  899}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 62   and name HD2 ))
       4.800     3.000     1.200 peak   899 spectrum    1 weight  0.10000E+01 volume  0.41038E-03 ppm1      7.849 ppm2      6.844 CV     1
  OR {  899}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 46   and name HE22))
  OR {  899}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 42   and name HZ2 ))
  ASSI {  901}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 66   and name HN  ))
       3.000     1.200     1.700 peak   901 spectrum    1 weight  0.10000E+01 volume  0.10656E-02 ppm1      7.849 ppm2      8.293 CV     1
  OR {  901}
    (( segid "    " and resid 65   and name HN  ))
    (( segid "    " and resid 67   and name HN  ))
  ASSI { 3383}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 68   and name HB1 ))
       2.900     1.100     1.700 peak  3383 spectrum    1 weight  0.10000E+01 volume  0.77347E-02 ppm1      4.314 ppm2      2.425 CV     1
  OR { 3383}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 83   and name HG1 ))
  OR { 3383}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 69   and name HB2 ))
  ASSI { 3384}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 65   and name HB2 ))
       2.200     0.400     0.900 peak  3384 spectrum    1 weight  0.10000E+01 volume  0.74703E-02 ppm1      4.314 ppm2      1.998 CV     1
  OR { 3384}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 65   and name HB1 ))
  OR { 3384}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 66   and name HB1 ))
  ASSI { 3386}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 66   and name HN  ))
       3.200     1.400     2.100 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.12478E-02 ppm1      4.315 ppm2      8.308 CV     1
  OR { 3386}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 67   and name HN  ))
  OR { 3386}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 82   and name HN  ))
  ASSI { 3389}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 62   and name HA  ))
       3.600     1.800     2.400 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.42707E-03 ppm1      1.974 ppm2      4.600 CV     1
  OR { 3389}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 83   and name HA  ))
  ASSI { 3391}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 66   and name HA  ))
       3.000     1.200     1.700 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.23370E-02 ppm1      1.974 ppm2      4.092 CV     1
  OR { 3391}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 68   and name HA  ))
  ASSI { 3393}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 53   and name HD2 ))
       3.800     2.000     2.200 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.12200E-02 ppm1      1.954 ppm2      1.511 CV     1
  OR { 3393}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 82   and name HG11))
  ASSI { 3398}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 66   and name HN  ))
       2.000     0.200     0.800 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.75677E-02 ppm1      1.978 ppm2      8.312 CV     1
  OR { 3398}
    (( segid "    " and resid 65   and name HB1 ))
    (( segid "    " and resid 67   and name HN  ))
  ASSI { 3403}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 62   and name HA  ))
       3.300     1.500     2.200 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.61209E-03 ppm1      2.029 ppm2      4.591 CV     1
  OR { 3403}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 83   and name HA  ))
  ASSI { 3404}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 66   and name HA  ))
       3.400     1.600     2.300 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.39090E-02 ppm1      2.011 ppm2      4.102 CV     1
  OR { 3404}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 68   and name HA  ))
  ASSI { 3411}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 66   and name HN  ))
       3.100     1.300     1.900 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.42567E-02 ppm1      2.012 ppm2      8.270 CV     1
  OR { 3411}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 67   and name HN  ))
  ASSI { 3413}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 65   and name HN  ))
       2.800     1.000     1.600 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.10280E-02 ppm1      2.029 ppm2      7.878 CV     1
  OR { 3413}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 64   and name HN  ))
  ASSI { 3414}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 83   and name HA  ))
       4.100     2.300     1.900 peak  3414 spectrum    1 weight  0.10000E+01 volume  0.53418E-03 ppm1      0.970 ppm2      4.601 CV     1
  OR { 3414}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 62   and name HA  ))
  ASSI { 3416}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 66   and name HA  ))
       4.400     2.600     1.600 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.74284E-03 ppm1      0.973 ppm2      4.096 CV     1
  OR { 3416}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 68   and name HA  ))
  OR { 3416}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 72   and name HB1 ))
  ASSI { 3418}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 69   and name HG2 ))
       5.900     4.100     0.100 peak  3418 spectrum    1 weight  0.10000E+01 volume  0.49940E-03 ppm1      0.971 ppm2      2.612 CV     1
  OR { 3418}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 68   and name HG2 ))
  ASSI { 3419}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 83   and name HG2 ))
       2.400     0.600     1.200 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.85135E-03 ppm1      0.971 ppm2      2.334 CV     1
  OR { 3419}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 69   and name HG1 ))
  OR { 3419}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 83   and name HB1 ))
  ASSI { 3421}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 53   and name HD2 ))
       2.400     0.600     3.600 peak  3421 spectrum    1 weight  0.10000E+01 volume  0.58843E-02 ppm1      0.983 ppm2      1.517 CV     1
  OR { 3421}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 82   and name HG11))
  ASSI { 3427}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 70   and name HN  ))
       3.600     1.800     2.400 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.76509E-03 ppm1      0.971 ppm2      8.538 CV     1
  OR { 3427}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 79   and name HN  ))
  ASSI { 3428}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 68   and name HN  ))
       4.100     2.300     1.900 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.14189E-02 ppm1      0.974 ppm2      8.075 CV     1
  OR { 3428}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 80   and name HN  ))
  ASSI { 3433}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 68   and name HE22))
       5.000     3.200     1.000 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.57870E-03 ppm1      0.973 ppm2      7.073 CV     1
  OR { 3433}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 81   and name HD2 ))
  ASSI { 3434}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 46   and name HE22))
       3.600     1.800     2.400 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.54114E-03 ppm1      0.966 ppm2      6.834 CV     1
  OR { 3434}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 42   and name HZ2 ))
  OR { 3434}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 62   and name HD2 ))
  ASSI { 3435}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 66   and name HN  ))
       4.300     2.500     1.700 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.96263E-03 ppm1      0.966 ppm2      8.316 CV     1
  OR { 3435}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 67   and name HN  ))
  OR { 3435}
    (  segid "    " and resid 65   and name HD1%)
    (( segid "    " and resid 82   and name HN  ))
  ASSI {  904}
    (( segid "    " and resid 66   and name HN  ))
    (  segid "    " and resid 66   and name HD1%)
       3.600     1.800     2.400 peak   904 spectrum    1 weight  0.10000E+01 volume  0.13660E-02 ppm1      8.288 ppm2      1.018 CV     1
  OR {  904}
    (( segid "    " and resid 66   and name HN  ))
    (  segid "    " and resid 65   and name HD2%)
  ASSI {  906}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 66   and name HB1 ))
       2.500     0.700     1.300 peak   906 spectrum    1 weight  0.10000E+01 volume  0.29908E-02 ppm1      8.288 ppm2      1.997 CV     1
  OR {  906}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 65   and name HB1 ))
  OR {  906}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 65   and name HB2 ))
  OR {  906}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 66   and name HG  ))
  ASSI {  907}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 67   and name HB1 ))
       4.100     2.300     1.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.93484E-03 ppm1      8.288 ppm2      2.323 CV     1
  OR {  907}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 83   and name HG2 ))
  OR {  907}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 69   and name HG1 ))
  OR {  907}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 67   and name HG2 ))
  OR {  907}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 68   and name HB2 ))
  OR {  907}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 69   and name HB1 ))
  ASSI {  909}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 66   and name HA  ))
       2.900     1.100     1.700 peak   909 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      8.288 ppm2      4.149 CV     1
  OR {  909}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 63   and name HA  ))
  ASSI {  910}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 62   and name HA  ))
       4.400     2.600     1.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.26431E-03 ppm1      8.292 ppm2      4.600 CV     1
  OR {  910}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 83   and name HA  ))
  ASSI {  911}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 46   and name HE22))
       5.000     3.200     1.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.18501E-03 ppm1      8.290 ppm2      6.852 CV     1
  OR {  911}
    (( segid "    " and resid 66   and name HN  ))
    (( segid "    " and resid 42   and name HZ2 ))
  ASSI { 3442}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 46   and name HB1 ))
       4.000     2.200     2.000 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.22397E-02 ppm1      4.125 ppm2      0.443 CV     1
  OR { 3442}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 74   and name HB1 ))
  ASSI { 3443}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 68   and name HB2 ))
       2.200     0.400     1.000 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.11352E-01 ppm1      4.139 ppm2      2.330 CV     1
  OR { 3443}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 67   and name HB1 ))
  OR { 3443}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 69   and name HB1 ))
  OR { 3443}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 69   and name HG1 ))
  OR { 3443}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 67   and name HG2 ))
  OR { 3443}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 67   and name HB1 ))
  OR { 3443}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 69   and name HG1 ))
  OR { 3443}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 69   and name HB1 ))
  OR { 3443}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 68   and name HB2 ))
  OR { 3443}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 83   and name HG2 ))
  ASSI { 3444}
    (( segid "    " and resid 66   and name HA  ))
    (  segid "    " and resid 57   and name HE% )
       2.400     0.600     3.600 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.12993E-01 ppm1      4.130 ppm2      2.106 CV     1
  OR { 3444}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 64   and name HB1 ))
  OR { 3444}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 64   and name HB1 ))
  ASSI { 3445}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 80   and name HN  ))
       3.600     1.800     2.400 peak  3445 spectrum    1 weight  0.10000E+01 volume  0.51331E-02 ppm1      4.123 ppm2      8.088 CV     1
  OR { 3445}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 78   and name HN  ))
  ASSI { 3446}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 66   and name HN  ))
       2.700     0.900     1.500 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      4.127 ppm2      8.302 CV     1
  OR { 3446}
    (( segid "    " and resid 66   and name HA  ))
    (( segid "    " and resid 67   and name HN  ))
  OR { 3446}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 67   and name HN  ))
  OR { 3446}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 82   and name HN  ))
  ASSI { 3448}
    (( segid "    " and resid 66   and name HG  ))
    (( segid "    " and resid 66   and name HA  ))
       2.600     0.800     1.300 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      1.975 ppm2      4.144 CV     1
  OR { 3448}
    (( segid "    " and resid 66   and name HG  ))
    (( segid "    " and resid 63   and name HA  ))
  ASSI { 3449}
    (( segid "    " and resid 66   and name HG  ))
    (  segid "    " and resid 66   and name HD1%)
       2.300     0.500     1.100 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.37559E-02 ppm1      1.974 ppm2      1.029 CV     1
  OR { 3449}
    (( segid "    " and resid 66   and name HG  ))
    (  segid "    " and resid 65   and name HD2%)
  ASSI { 3451}
    (( segid "    " and resid 66   and name HG  ))
    (( segid "    " and resid 66   and name HN  ))
       3.900     2.100     2.100 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.12659E-02 ppm1      1.971 ppm2      8.297 CV     1
  OR { 3451}
    (( segid "    " and resid 66   and name HG  ))
    (( segid "    " and resid 67   and name HN  ))
  ASSI { 3452}
    (( segid "    " and resid 66   and name HG  ))
    (( segid "    " and resid 42   and name HD1 ))
       4.300     2.500     1.700 peak  3452 spectrum    1 weight  0.10000E+01 volume  0.46324E-03 ppm1      1.973 ppm2      7.309 CV     1
  OR { 3452}
    (( segid "    " and resid 66   and name HG  ))
    (  segid "    " and resid 73   and name HE% )
  ASSI {  918}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 64   and name HG1 ))
       1.800     0.000     4.200 peak   918 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      8.282 ppm2      1.528 CV     1
  OR {  918}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 26   and name HG  ))
  ASSI {  919}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 66   and name HB1 ))
       2.700     0.900     1.500 peak   919 spectrum    1 weight  0.10000E+01 volume  0.18224E-02 ppm1      8.280 ppm2      2.012 CV     1
  OR {  919}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 66   and name HG  ))
  OR {  919}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 65   and name HB2 ))
  ASSI {  920}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 67   and name HB1 ))
       2.500     0.700     1.300 peak   920 spectrum    1 weight  0.10000E+01 volume  0.42011E-02 ppm1      8.280 ppm2      2.325 CV     1
  OR {  920}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 67   and name HG2 ))
  OR {  920}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 68   and name HB2 ))
  ASSI { 3454}
    (( segid "    " and resid 67   and name HA  ))
    (( segid "    " and resid 67   and name HB1 ))
       2.300     0.500     1.000 peak  3454 spectrum    1 weight  0.10000E+01 volume  0.16554E-01 ppm1      4.010 ppm2      2.319 CV     1
  OR { 3454}
    (( segid "    " and resid 67   and name HA  ))
    (( segid "    " and resid 67   and name HG2 ))
  OR { 3454}
    (( segid "    " and resid 67   and name HA  ))
    (( segid "    " and resid 68   and name HB2 ))
  ASSI { 3455}
    (( segid "    " and resid 67   and name HA  ))
    (  segid "    " and resid 71   and name HG2%)
       2.700     0.900     1.500 peak  3455 spectrum    1 weight  0.10000E+01 volume  0.47158E-02 ppm1      4.010 ppm2      1.143 CV     1
  OR { 3455}
    (( segid "    " and resid 67   and name HA  ))
    (( segid "    " and resid 82   and name HG12))
  ASSI { 3457}
    (( segid "    " and resid 67   and name HA  ))
    (  segid "    " and resid 30   and name HD1%)
       3.000     1.200     3.000 peak  3457 spectrum    1 weight  0.10000E+01 volume  0.51192E-02 ppm1      4.010 ppm2      0.910 CV     1
  OR { 3457}
    (( segid "    " and resid 67   and name HA  ))
    (  segid "    " and resid 26   and name HD1%)
  OR { 3457}
    (( segid "    " and resid 67   and name HA  ))
    (  segid "    " and resid 82   and name HG2%)
  OR { 3457}
    (( segid "    " and resid 67   and name HA  ))
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 3461}
    (( segid "    " and resid 67   and name HG1 ))
    (  segid "    " and resid 80   and name HG1%)
       4.600     2.800     1.400 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.34638E-03 ppm1      2.179 ppm2      0.840 CV     1
  OR { 3461}
    (( segid "    " and resid 67   and name HG1 ))
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 3463}
    (( segid "    " and resid 67   and name HG1 ))
    (( segid "    " and resid 67   and name HN  ))
       5.500     3.700     0.500 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.26431E-03 ppm1      2.176 ppm2      8.300 CV     1
  OR { 3463}
    (( segid "    " and resid 67   and name HG1 ))
    (( segid "    " and resid 66   and name HN  ))
  ASSI { 3469}
    (( segid "    " and resid 67   and name HG2 ))
    (  segid "    " and resid 80   and name HG1%)
       4.400     2.600     1.600 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.53835E-03 ppm1      2.311 ppm2      0.859 CV     1
  OR { 3469}
    (( segid "    " and resid 67   and name HG2 ))
    (  segid "    " and resid 30   and name HD1%)
  OR { 3469}
    (( segid "    " and resid 67   and name HG2 ))
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 3471}
    (( segid "    " and resid 67   and name HG2 ))
    (( segid "    " and resid 67   and name HN  ))
       4.900     3.100     1.100 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.71918E-03 ppm1      2.309 ppm2      8.311 CV     1
  OR { 3471}
    (( segid "    " and resid 67   and name HG2 ))
    (( segid "    " and resid 66   and name HN  ))
  ASSI {  926}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 67   and name HB1 ))
       2.100     0.300     0.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.51749E-02 ppm1      8.043 ppm2      2.321 CV     1
  OR {  926}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 68   and name HB2 ))
  OR {  926}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 67   and name HG2 ))
  OR {  926}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 69   and name HG1 ))
  OR {  926}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 69   and name HB1 ))
  ASSI {  927}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 68   and name HA  ))
       2.700     0.900     1.500 peak   927 spectrum    1 weight  0.10000E+01 volume  0.21701E-02 ppm1      8.043 ppm2      4.114 CV     1
  OR {  927}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 66   and name HA  ))
  OR {  927}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 69   and name HA  ))
  ASSI {  931}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 67   and name HN  ))
       2.400     0.600     1.200 peak   931 spectrum    1 weight  0.10000E+01 volume  0.32413E-02 ppm1      8.043 ppm2      8.316 CV     1
  OR {  931}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 66   and name HN  ))
  OR {  931}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 82   and name HN  ))
  ASSI { 3474}
    (( segid "    " and resid 68   and name HB1 ))
    (( segid "    " and resid 68   and name HA  ))
       2.300     0.500     1.100 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      2.458 ppm2      4.132 CV     1
  OR { 3474}
    (( segid "    " and resid 68   and name HB1 ))
    (( segid "    " and resid 69   and name HA  ))
  OR { 3474}
    (( segid "    " and resid 68   and name HB1 ))
    (( segid "    " and resid 80   and name HA  ))
  ASSI { 3480}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 68   and name HA  ))
       2.400     0.600     1.200 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.51192E-02 ppm1      2.297 ppm2      4.155 CV     1
  OR { 3480}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 69   and name HA  ))
  OR { 3480}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 66   and name HA  ))
  ASSI { 3482}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 78   and name HB2 ))
       3.600     1.800     2.400 peak  3482 spectrum    1 weight  0.10000E+01 volume  0.13535E-02 ppm1      2.294 ppm2      1.912 CV     1
  OR { 3482}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 65   and name HG  ))
  ASSI {  935}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 69   and name HB2 ))
       2.100     0.300     0.900 peak   935 spectrum    1 weight  0.10000E+01 volume  0.36725E-02 ppm1      8.373 ppm2      2.362 CV     1
  OR {  935}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 69   and name HG1 ))
  OR {  935}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 83   and name HG1 ))
  ASSI {  936}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 69   and name HA  ))
       2.400     0.600     1.200 peak   936 spectrum    1 weight  0.10000E+01 volume  0.32552E-02 ppm1      8.368 ppm2      4.124 CV     1
  OR {  936}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 66   and name HA  ))
  OR {  936}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 68   and name HA  ))
  ASSI {  939}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 68   and name HN  ))
       2.900     1.100     1.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.96540E-03 ppm1      8.373 ppm2      8.018 CV     1
  OR {  939}
    (( segid "    " and resid 69   and name HN  ))
    (( segid "    " and resid 71   and name HN  ))
  ASSI { 3496}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 66   and name HA  ))
       2.700     0.900     1.500 peak  3496 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      2.399 ppm2      4.157 CV     1
  OR { 3496}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 69   and name HA  ))
  ASSI { 3497}
    (( segid "    " and resid 69   and name HB2 ))
    (  segid "    " and resid 65   and name HD1%)
       3.900     2.100     2.100 peak  3497 spectrum    1 weight  0.10000E+01 volume  0.22258E-02 ppm1      2.394 ppm2      0.959 CV     1
  OR { 3497}
    (( segid "    " and resid 69   and name HB2 ))
    (  segid "    " and resid 82   and name HG2%)
  ASSI { 3501}
    (( segid "    " and resid 69   and name HG1 ))
    (( segid "    " and resid 69   and name HA  ))
       2.700     0.900     1.500 peak  3501 spectrum    1 weight  0.10000E+01 volume  0.24622E-02 ppm1      2.334 ppm2      4.149 CV     1
  OR { 3501}
    (( segid "    " and resid 69   and name HG1 ))
    (( segid "    " and resid 66   and name HA  ))
  OR { 3501}
    (( segid "    " and resid 69   and name HG1 ))
    (( segid "    " and resid 68   and name HA  ))
  ASSI { 3503}
    (( segid "    " and resid 69   and name HG1 ))
    (( segid "    " and resid 66   and name HG  ))
       2.900     1.100     3.100 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.43820E-02 ppm1      2.325 ppm2      1.973 CV     1
  OR { 3503}
    (( segid "    " and resid 69   and name HG1 ))
    (( segid "    " and resid 65   and name HB1 ))
  OR { 3503}
    (( segid "    " and resid 69   and name HG1 ))
    (( segid "    " and resid 66   and name HB1 ))
  ASSI { 3507}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 69   and name HA  ))
       2.300     0.500     1.000 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.27683E-02 ppm1      2.617 ppm2      4.140 CV     1
  OR { 3507}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 66   and name HA  ))
  OR { 3507}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 68   and name HA  ))
  ASSI { 3509}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 66   and name HG  ))
       3.900     2.100     2.100 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      2.620 ppm2      2.021 CV     1
  OR { 3509}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 66   and name HB1 ))
  OR { 3509}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 65   and name HB2 ))
  OR { 3509}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 46   and name HG2 ))
  OR { 3509}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 80   and name HB  ))
  ASSI { 3511}
    (( segid "    " and resid 69   and name HG2 ))
    (  segid "    " and resid 82   and name HG2%)
       2.200     0.400     1.000 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      2.618 ppm2      0.935 CV     1
  OR { 3511}
    (( segid "    " and resid 69   and name HG2 ))
    (  segid "    " and resid 65   and name HD1%)
  ASSI {  941}
    (( segid "    " and resid 70   and name HN  ))
    (  segid "    " and resid 82   and name HG2%)
       4.200     2.400     1.800 peak   941 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      8.545 ppm2      0.931 CV     1
  OR {  941}
    (( segid "    " and resid 70   and name HN  ))
    (  segid "    " and resid 26   and name HD1%)
  ASSI {  942}
    (( segid "    " and resid 70   and name HN  ))
    (  segid "    " and resid 71   and name HG1%)
       4.000     2.200     2.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      8.548 ppm2      1.045 CV     1
  OR {  942}
    (( segid "    " and resid 70   and name HN  ))
    (  segid "    " and resid 65   and name HD2%)
  ASSI {  943}
    (( segid "    " and resid 70   and name HN  ))
    (  segid "    " and resid 70   and name HE% )
       4.900     3.100     1.100 peak   943 spectrum    1 weight  0.10000E+01 volume  0.93761E-03 ppm1      8.549 ppm2      1.446 CV     1
  OR {  943}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 82   and name HG11))
  OR {  943}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 78   and name HG2 ))
  ASSI {  945}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 69   and name HB1 ))
       3.400     1.600     2.300 peak   945 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      8.549 ppm2      2.305 CV     1
  OR {  945}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 69   and name HG1 ))
  OR {  945}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 68   and name HB2 ))
  OR {  945}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 67   and name HG2 ))
  ASSI {  946}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 73   and name HB1 ))
       5.400     3.600     0.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.28656E-03 ppm1      8.543 ppm2      3.044 CV     1
  OR {  946}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 78   and name HE1 ))
  ASSI {  949}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 68   and name HA  ))
       3.400     1.600     2.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.93484E-03 ppm1      8.550 ppm2      4.099 CV     1
  OR {  949}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 66   and name HA  ))
  OR {  949}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
  ASSI {  952}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 42   and name HD1 ))
       5.600     3.800     0.400 peak   952 spectrum    1 weight  0.10000E+01 volume  0.25318E-03 ppm1      8.549 ppm2      7.301 CV     1
  OR {  952}
    (( segid "    " and resid 70   and name HN  ))
    (  segid "    " and resid 73   and name HE% )
  ASSI {  953}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 71   and name HN  ))
       3.200     1.400     2.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.56339E-03 ppm1      8.550 ppm2      8.040 CV     1
  OR {  953}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 68   and name HN  ))
  ASSI {  958}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 78   and name HG1 ))
       4.100     2.300     1.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.12812E-02 ppm1      8.033 ppm2      1.464 CV     1
  OR {  958}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 82   and name HG11))
  ASSI {  962}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 73   and name HB1 ))
       6.000     4.200     0.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.18224E-03 ppm1      8.037 ppm2      3.031 CV     1
  OR {  962}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 78   and name HE1 ))
  ASSI { 3520}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 68   and name HA  ))
       4.200     2.400     1.800 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.62602E-03 ppm1      3.737 ppm2      4.101 CV     1
  OR { 3520}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 74   and name HA  ))
  OR { 3520}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 80   and name HA  ))
  ASSI { 3522}
    (( segid "    " and resid 71   and name HA  ))
    (  segid "    " and resid 70   and name HE% )
       3.600     1.800     2.400 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.93620E-03 ppm1      3.742 ppm2      1.401 CV     1
  OR { 3522}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 78   and name HG2 ))
  ASSI { 3527}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 75   and name HN  ))
       3.300     1.500     2.100 peak  3527 spectrum    1 weight  0.10000E+01 volume  0.75813E-03 ppm1      3.743 ppm2      8.062 CV     1
  OR { 3527}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 78   and name HN  ))
  ASSI { 3531}
    (( segid "    " and resid 71   and name HB  ))
    (  segid "    " and resid 80   and name HG1%)
       3.500     1.700     2.400 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.34638E-02 ppm1      2.244 ppm2      0.865 CV     1
  OR { 3531}
    (( segid "    " and resid 71   and name HB  ))
    (  segid "    " and resid 82   and name HD1%)
  OR { 3531}
    (( segid "    " and resid 71   and name HB  ))
    (  segid "    " and resid 30   and name HD1%)
  ASSI { 3534}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 68   and name HA  ))
       4.200     2.400     1.800 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.92788E-03 ppm1      1.077 ppm2      4.128 CV     1
  OR { 3534}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 69   and name HA  ))
  OR { 3534}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 74   and name HA  ))
  OR { 3534}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 80   and name HA  ))
  ASSI { 3537}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 75   and name HB1 ))
       3.600     1.800     2.400 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.38255E-03 ppm1      1.076 ppm2      3.099 CV     1
  OR { 3537}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 78   and name HE1 ))
  ASSI { 3538}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 68   and name HG2 ))
       6.000     4.200     0.000 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.88197E-04 ppm1      1.075 ppm2      2.658 CV     1
  OR { 3538}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 79   and name HB2 ))
  ASSI { 3541}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 78   and name HG2 ))
       3.700     1.900     2.300 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.93065E-03 ppm1      1.078 ppm2      1.433 CV     1
  OR { 3541}
    (  segid "    " and resid 71   and name HG1%)
    (  segid "    " and resid 70   and name HE% )
  ASSI { 3543}
    (  segid "    " and resid 71   and name HG1%)
    (  segid "    " and resid 30   and name HD1%)
       3.800     2.000     2.200 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      1.077 ppm2      0.863 CV     1
  OR { 3543}
    (  segid "    " and resid 71   and name HG1%)
    (  segid "    " and resid 80   and name HG1%)
  OR { 3543}
    (  segid "    " and resid 71   and name HG1%)
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 3544}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 79   and name HN  ))
       5.200     3.400     0.800 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.35612E-03 ppm1      1.077 ppm2      8.524 CV     1
  OR { 3544}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 70   and name HN  ))
  ASSI { 3545}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 78   and name HN  ))
       4.000     2.200     2.000 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.90840E-03 ppm1      1.076 ppm2      8.073 CV     1
  OR { 3545}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 75   and name HN  ))
  OR { 3545}
    (  segid "    " and resid 71   and name HG1%)
    (( segid "    " and resid 80   and name HN  ))
  ASSI { 3549}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 68   and name HA  ))
       3.500     1.700     2.500 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.75116E-03 ppm1      1.179 ppm2      4.121 CV     1
  OR { 3549}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 69   and name HA  ))
  OR { 3549}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 74   and name HA  ))
  ASSI { 3551}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 75   and name HB1 ))
       4.500     2.700     1.500 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.77347E-03 ppm1      1.181 ppm2      3.085 CV     1
  OR { 3551}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 78   and name HE1 ))
  ASSI { 3554}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 30   and name HB  ))
       4.000     2.200     2.000 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.51331E-03 ppm1      1.170 ppm2      2.022 CV     1
  OR { 3554}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 80   and name HB  ))
  ASSI { 3555}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 70   and name HB2 ))
       3.300     1.500     2.200 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.14467E-02 ppm1      1.180 ppm2      1.787 CV     1
  OR { 3555}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 78   and name HB1 ))
  ASSI { 3556}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 78   and name HG1 ))
       2.800     1.000     1.500 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.58011E-02 ppm1      1.166 ppm2      1.518 CV     1
  OR { 3556}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 29   and name HG2 ))
  OR { 3556}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 82   and name HG11))
  ASSI { 3558}
    (  segid "    " and resid 71   and name HG2%)
    (  segid "    " and resid 30   and name HD1%)
       3.000     1.200     1.800 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.22535E-02 ppm1      1.180 ppm2      0.854 CV     1
  OR { 3558}
    (  segid "    " and resid 71   and name HG2%)
    (  segid "    " and resid 80   and name HG1%)
  OR { 3558}
    (  segid "    " and resid 71   and name HG2%)
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 3560}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 70   and name HN  ))
       4.700     2.900     1.300 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.51331E-03 ppm1      1.179 ppm2      8.535 CV     1
  OR { 3560}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 79   and name HN  ))
  ASSI { 3561}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 75   and name HN  ))
       3.700     1.900     2.300 peak  3561 spectrum    1 weight  0.10000E+01 volume  0.13869E-02 ppm1      1.179 ppm2      8.057 CV     1
  OR { 3561}
    (  segid "    " and resid 71   and name HG2%)
    (( segid "    " and resid 78   and name HN  ))
  ASSI {  964}
    (( segid "    " and resid 72   and name HN  ))
    (  segid "    " and resid 82   and name HD1%)
       4.500     2.700     1.500 peak   964 spectrum    1 weight  0.10000E+01 volume  0.53279E-03 ppm1      8.174 ppm2      0.841 CV     1
  OR {  964}
    (( segid "    " and resid 72   and name HN  ))
    (  segid "    " and resid 30   and name HD1%)
  ASSI {  966}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 78   and name HG2 ))
       3.000     1.200     1.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.79990E-03 ppm1      8.171 ppm2      1.442 CV     1
  OR {  966}
    (( segid "    " and resid 72   and name HN  ))
    (  segid "    " and resid 70   and name HE% )
  ASSI {  967}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 78   and name HB1 ))
       4.400     2.600     1.600 peak   967 spectrum    1 weight  0.10000E+01 volume  0.32273E-03 ppm1      8.172 ppm2      1.798 CV     1
  OR {  967}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 70   and name HB2 ))
  ASSI {  968}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 71   and name HB  ))
       3.100     1.300     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.10642E-02 ppm1      8.171 ppm2      2.280 CV     1
  OR {  968}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 68   and name HB2 ))
  OR {  968}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 76   and name HB2 ))
  ASSI {  969}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 73   and name HB1 ))
       6.000     4.200     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.15580E-03 ppm1      8.170 ppm2      3.047 CV     1
  OR {  969}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 78   and name HE1 ))
  ASSI {  970}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 75   and name HB2 ))
       5.700     3.900     0.300 peak   970 spectrum    1 weight  0.10000E+01 volume  0.14328E-03 ppm1      8.171 ppm2      3.379 CV     1
  OR {  970}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 73   and name HB2 ))
  ASSI {  976}
    (( segid "    " and resid 72   and name HN  ))
    (  segid "    " and resid 73   and name HE% )
       5.700     3.900     0.300 peak   976 spectrum    1 weight  0.10000E+01 volume  0.30187E-03 ppm1      8.171 ppm2      7.310 CV     1
  OR {  976}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 42   and name HD1 ))
  ASSI {  979}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 76   and name HN  ))
       4.300     2.500     1.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.20727E-03 ppm1      8.170 ppm2      7.658 CV     1
  OR {  979}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 68   and name HE21))
  ASSI { 3570}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 75   and name HB1 ))
       2.500     0.700     3.500 peak  3570 spectrum    1 weight  0.10000E+01 volume  0.40203E-02 ppm1      4.228 ppm2      3.132 CV     1
  OR { 3570}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 81   and name HB2 ))
  ASSI { 3571}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 78   and name HE1 ))
       5.100     3.300     0.900 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.79294E-03 ppm1      4.228 ppm2      3.038 CV     1
  OR { 3571}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 73   and name HB1 ))
  ASSI { 3572}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 76   and name HG1 ))
       3.400     1.600     2.300 peak  3572 spectrum    1 weight  0.10000E+01 volume  0.33665E-02 ppm1      4.232 ppm2      2.317 CV     1
  OR { 3572}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 76   and name HB2 ))
  OR { 3572}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 68   and name HB2 ))
  OR { 3572}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 69   and name HB1 ))
  OR { 3572}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 69   and name HG1 ))
  ASSI { 3574}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 78   and name HG1 ))
       1.900     0.100     0.700 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.53418E-02 ppm1      4.238 ppm2      1.517 CV     1
  OR { 3574}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 82   and name HG11))
  ASSI { 3577}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HN  ))
       2.200     0.400     1.000 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.60372E-02 ppm1      4.227 ppm2      8.140 CV     1
  OR { 3577}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 80   and name HN  ))
  ASSI { 3579}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 69   and name HB1 ))
       3.400     1.600     2.400 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.23231E-02 ppm1      4.053 ppm2      2.321 CV     1
  OR { 3579}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 69   and name HG1 ))
  OR { 3579}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 68   and name HB2 ))
  OR { 3579}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 76   and name HB2 ))
  OR { 3579}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 83   and name HG2 ))
  ASSI { 3583}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 73   and name HB2 ))
       3.600     1.800     2.400 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      4.055 ppm2      3.421 CV     1
  OR { 3583}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 75   and name HB2 ))
  ASSI { 3584}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 73   and name HB1 ))
       4.400     2.600     1.600 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      4.053 ppm2      3.038 CV     1
  OR { 3584}
    (( segid "    " and resid 72   and name HB1 ))
    (( segid "    " and resid 78   and name HE1 ))
  ASSI {  987}
    (( segid "    " and resid 73   and name HN  ))
    (  segid "    " and resid 73   and name HE% )
       4.300     2.500     1.700 peak   987 spectrum    1 weight  0.10000E+01 volume  0.12909E-02 ppm1      8.317 ppm2      7.265 CV     1
  OR {  987}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 42   and name HD1 ))
  ASSI { 3590}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 76   and name HG1 ))
       2.600     0.800     1.300 peak  3590 spectrum    1 weight  0.10000E+01 volume  0.66909E-02 ppm1      4.345 ppm2      2.315 CV     1
  OR { 3590}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 76   and name HB2 ))
  OR { 3590}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 69   and name HB1 ))
  OR { 3590}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 69   and name HG1 ))
  ASSI { 3593}
    (( segid "    " and resid 73   and name HA  ))
    (  segid "    " and resid 74   and name HD2%)
       3.800     2.000     2.200 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.13285E-02 ppm1      4.347 ppm2      0.683 CV     1
  OR { 3593}
    (( segid "    " and resid 73   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  OR { 3593}
    (( segid "    " and resid 73   and name HA  ))
    (  segid "    " and resid 30   and name HG2%)
  ASSI { 3597}
    (( segid "    " and resid 73   and name HA  ))
    (  segid "    " and resid 73   and name HE% )
       3.500     1.700     2.500 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.22535E-02 ppm1      4.353 ppm2      7.274 CV     1
  OR { 3597}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 42   and name HD1 ))
  ASSI {  992}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 74   and name HG  ))
       2.800     1.000     1.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.95012E-03 ppm1      8.482 ppm2      1.760 CV     1
  OR {  992}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 70   and name HB2 ))
  ASSI {  994}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 73   and name HB2 ))
       2.800     1.000     1.600 peak   994 spectrum    1 weight  0.10000E+01 volume  0.84858E-03 ppm1      8.484 ppm2      3.397 CV     1
  OR {  994}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 75   and name HB2 ))
  ASSI {  995}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 73   and name HB1 ))
       3.400     1.600     2.300 peak   995 spectrum    1 weight  0.10000E+01 volume  0.12631E-02 ppm1      8.484 ppm2      3.050 CV     1
  OR {  995}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 42   and name HB2 ))
  ASSI {  997}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
       3.200     1.400     2.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.58289E-03 ppm1      8.482 ppm2      4.067 CV     1
  OR {  997}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 72   and name HB1 ))
  ASSI { 1003}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 75   and name HN  ))
       3.300     1.500     2.100 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.50358E-03 ppm1      8.477 ppm2      8.046 CV     1
  OR { 1003}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 71   and name HN  ))
  ASSI { 3600}
    (( segid "    " and resid 74   and name HB1 ))
    (( segid "    " and resid 74   and name HA  ))
       3.800     2.000     2.200 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.12965E-03 ppm1      0.468 ppm2      4.086 CV     1
  OR { 3600}
    (( segid "    " and resid 74   and name HB1 ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI { 3601}
    (( segid "    " and resid 74   and name HB1 ))
    (( segid "    " and resid 74   and name HG  ))
       3.700     1.900     2.300 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.44237E-03 ppm1      0.483 ppm2      1.763 CV     1
  OR { 3601}
    (( segid "    " and resid 74   and name HB1 ))
    (( segid "    " and resid 70   and name HB2 ))
  ASSI { 3607}
    (( segid "    " and resid 74   and name HB1 ))
    (( segid "    " and resid 39   and name HE3 ))
       4.800     3.000     1.200 peak  3607 spectrum    1 weight  0.10000E+01 volume  0.26848E-03 ppm1      0.470 ppm2      7.362 CV     1
  OR { 3607}
    (( segid "    " and resid 74   and name HB1 ))
    (  segid "    " and resid 75   and name HE% )
  ASSI { 3608}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 74   and name HA  ))
       4.000     2.200     2.000 peak  3608 spectrum    1 weight  0.10000E+01 volume  0.21284E-03 ppm1      1.342 ppm2      4.117 CV     1
  OR { 3608}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI { 3616}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 39   and name HA  ))
       3.800     2.000     2.200 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.98210E-03 ppm1      0.799 ppm2      4.081 CV     1
  OR { 3616}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 74   and name HA  ))
  ASSI { 3618}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 39   and name HB1 ))
       2.300     0.500     3.700 peak  3618 spectrum    1 weight  0.10000E+01 volume  0.28100E-03 ppm1      0.796 ppm2      3.432 CV     1
  OR { 3618}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 75   and name HB2 ))
  ASSI { 3619}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 42   and name HB2 ))
       4.500     2.700     1.500 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.54253E-03 ppm1      0.799 ppm2      3.076 CV     1
  OR { 3619}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 73   and name HB1 ))
  ASSI { 3621}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 70   and name HG1 ))
       1.800     0.000     4.200 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      0.803 ppm2      2.212 CV     1
  OR { 3621}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 71   and name HB  ))
  OR { 3621}
    (  segid "    " and resid 74   and name HD1%)
    (( segid "    " and resid 67   and name HG1 ))
  ASSI { 3634}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 73   and name HB2 ))
       2.300     0.500     3.700 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.25596E-03 ppm1      0.662 ppm2      3.398 CV     1
  OR { 3634}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 39   and name HB1 ))
  OR { 3634}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 75   and name HB2 ))
  ASSI { 3635}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 42   and name HB2 ))
       3.000     1.200     1.800 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.10851E-02 ppm1      0.662 ppm2      3.084 CV     1
  OR { 3635}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 73   and name HB1 ))
  ASSI { 3637}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 76   and name HB2 ))
       2.200     0.400     3.800 peak  3637 spectrum    1 weight  0.10000E+01 volume  0.39507E-03 ppm1      0.660 ppm2      2.338 CV     1
  OR { 3637}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 69   and name HB1 ))
  OR { 3637}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 76   and name HG1 ))
  OR { 3637}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 69   and name HG1 ))
  OR { 3637}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 17   and name HB1 ))
  OR { 3637}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 20   and name HG2 ))
  OR { 3637}
    (  segid "    " and resid 74   and name HD2%)
    (( segid "    " and resid 68   and name HB2 ))
  ASSI { 1008}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 74   and name HG  ))
       4.300     2.500     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.52445E-03 ppm1      8.044 ppm2      1.753 CV     1
  OR { 1008}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 78   and name HD1 ))
  ASSI { 1009}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 76   and name HB2 ))
       3.900     2.100     2.100 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.79848E-03 ppm1      8.045 ppm2      2.318 CV     1
  OR { 1009}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 76   and name HG1 ))
  OR { 1009}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 69   and name HB1 ))
  ASSI { 1011}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 75   and name HB2 ))
       3.300     1.500     2.200 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.54114E-03 ppm1      8.045 ppm2      3.395 CV     1
  OR { 1011}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 73   and name HB2 ))
  ASSI { 1013}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
       3.200     1.400     2.100 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.86527E-03 ppm1      8.045 ppm2      4.077 CV     1
  OR { 1013}
    (( segid "    " and resid 75   and name HN  ))
    (( segid "    " and resid 72   and name HB1 ))
  ASSI { 1031}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 74   and name HA  ))
       3.600     1.800     2.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.81377E-03 ppm1      7.654 ppm2      4.054 CV     1
  OR { 1031}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 72   and name HB1 ))
  OR { 1031}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 8    and name HA  ))
  ASSI { 3656}
    (( segid "    " and resid 76   and name HB2 ))
    (( segid "    " and resid 75   and name HB2 ))
       1.900     0.100     4.100 peak  3656 spectrum    1 weight  0.10000E+01 volume  0.81937E-03 ppm1      2.318 ppm2      3.387 CV     1
  OR { 3656}
    (( segid "    " and resid 76   and name HB2 ))
    (( segid "    " and resid 73   and name HB2 ))
  OR { 3656}
    (( segid "    " and resid 76   and name HB2 ))
    (( segid "    " and resid 11   and name HA  ))
  ASSI { 3662}
    (( segid "    " and resid 76   and name HG1 ))
    (( segid "    " and resid 77   and name HA1 ))
       3.500     1.700     2.500 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      2.308 ppm2      4.020 CV     1
  OR { 3662}
    (( segid "    " and resid 76   and name HG1 ))
    (( segid "    " and resid 72   and name HB1 ))
  ASSI { 1041}
    (( segid "    " and resid 77   and name HN  ))
    (  segid "    " and resid 82   and name HD1%)
       6.000     4.200     0.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.22814E-03 ppm1      8.750 ppm2      0.843 CV     1
  OR { 1041}
    (( segid "    " and resid 77   and name HN  ))
    (  segid "    " and resid 80   and name HG1%)
  ASSI { 1045}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 76   and name HB2 ))
       3.500     1.700     2.500 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.11518E-02 ppm1      8.750 ppm2      2.324 CV     1
  OR { 1045}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 68   and name HB2 ))
  OR { 1045}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 69   and name HG1 ))
  ASSI { 1046}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 75   and name HB1 ))
       5.400     3.600     0.600 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.12075E-03 ppm1      8.749 ppm2      3.072 CV     1
  OR { 1046}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 78   and name HE1 ))
  ASSI { 1047}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 75   and name HB2 ))
       3.000     1.200     1.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.55644E-04 ppm1      8.754 ppm2      3.394 CV     1
  OR { 1047}
    (( segid "    " and resid 77   and name HN  ))
    (( segid "    " and resid 73   and name HB2 ))
  ASSI { 3672}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 76   and name HG1 ))
       2.300     0.500     3.700 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.94593E-03 ppm1      4.026 ppm2      2.316 CV     1
  OR { 3672}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 76   and name HB2 ))
  OR { 3672}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 68   and name HB2 ))
  OR { 3672}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 69   and name HB1 ))
  OR { 3672}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 69   and name HG1 ))
  ASSI { 1057}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 68   and name HB2 ))
       3.400     1.600     2.400 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.11379E-02 ppm1      8.096 ppm2      2.320 CV     1
  OR { 1057}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 69   and name HG1 ))
  OR { 1057}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 69   and name HB1 ))
  OR { 1057}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 83   and name HG2 ))
  ASSI { 1059}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 75   and name HB2 ))
       2.400     0.600     3.600 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.19058E-03 ppm1      8.095 ppm2      3.390 CV     1
  OR { 1059}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 73   and name HB2 ))
  ASSI { 3681}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 77   and name HA1 ))
       5.100     3.300     0.900 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.18641E-03 ppm1      4.446 ppm2      4.021 CV     1
  OR { 3681}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 72   and name HB1 ))
  ASSI { 3683}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 79   and name HB2 ))
       5.000     3.200     1.000 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.76231E-03 ppm1      4.439 ppm2      2.607 CV     1
  OR { 3683}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 68   and name HG2 ))
  ASSI { 3686}
    (( segid "    " and resid 78   and name HA  ))
    (  segid "    " and resid 80   and name HG1%)
       4.800     3.000     1.200 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.10906E-02 ppm1      4.437 ppm2      0.854 CV     1
  OR { 3686}
    (( segid "    " and resid 78   and name HA  ))
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 3691}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 78   and name HN  ))
       3.200     1.400     2.000 peak  3691 spectrum    1 weight  0.10000E+01 volume  0.11393E-02 ppm1      4.438 ppm2      8.125 CV     1
  OR { 3691}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 80   and name HN  ))
  ASSI { 3696}
    (( segid "    " and resid 78   and name HB1 ))
    (( segid "    " and resid 78   and name HG1 ))
       2.000     0.200     0.800 peak  3696 spectrum    1 weight  0.10000E+01 volume  0.79429E-02 ppm1      1.811 ppm2      1.483 CV     1
  OR { 3696}
    (( segid "    " and resid 78   and name HB1 ))
    (( segid "    " and resid 82   and name HG11))
  ASSI { 3698}
    (( segid "    " and resid 78   and name HB1 ))
    (  segid "    " and resid 80   and name HG1%)
       5.100     3.300     0.900 peak  3698 spectrum    1 weight  0.10000E+01 volume  0.63434E-03 ppm1      1.810 ppm2      0.893 CV     1
  OR { 3698}
    (( segid "    " and resid 78   and name HB1 ))
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 3700}
    (( segid "    " and resid 78   and name HB1 ))
    (( segid "    " and resid 78   and name HN  ))
       3.100     1.300     1.900 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.11226E-02 ppm1      1.813 ppm2      8.124 CV     1
  OR { 3700}
    (( segid "    " and resid 78   and name HB1 ))
    (( segid "    " and resid 80   and name HN  ))
  ASSI { 3703}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 80   and name HA  ))
       5.100     3.300     0.900 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.55226E-03 ppm1      1.901 ppm2      4.059 CV     1
  OR { 3703}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 72   and name HB1 ))
  ASSI { 3704}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 78   and name HE1 ))
       4.600     2.800     1.400 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.32552E-03 ppm1      1.883 ppm2      3.077 CV     1
  OR { 3704}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 75   and name HB1 ))
  ASSI { 3706}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 78   and name HG1 ))
       2.000     0.200     0.800 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.10447E-01 ppm1      1.897 ppm2      1.498 CV     1
  OR { 3706}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 82   and name HG11))
  ASSI { 3709}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 80   and name HN  ))
       2.900     1.100     1.600 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      1.897 ppm2      8.124 CV     1
  OR { 3709}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 78   and name HN  ))
  ASSI { 3712}
    (( segid "    " and resid 78   and name HD1 ))
    (( segid "    " and resid 68   and name HA  ))
       3.100     1.300     1.900 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.39646E-02 ppm1      1.707 ppm2      4.120 CV     1
  OR { 3712}
    (( segid "    " and resid 78   and name HD1 ))
    (( segid "    " and resid 80   and name HA  ))
  OR { 3712}
    (( segid "    " and resid 78   and name HD1 ))
    (( segid "    " and resid 69   and name HA  ))
  ASSI { 3714}
    (( segid "    " and resid 78   and name HD1 ))
    (( segid "    " and resid 80   and name HN  ))
       3.900     2.100     2.100 peak  3714 spectrum    1 weight  0.10000E+01 volume  0.17945E-02 ppm1      1.713 ppm2      8.120 CV     1
  OR { 3714}
    (( segid "    " and resid 78   and name HD1 ))
    (( segid "    " and resid 78   and name HN  ))
  ASSI { 1069}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 79   and name HB2 ))
       3.100     1.300     2.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.47019E-02 ppm1      8.565 ppm2      2.635 CV     1
  OR { 1069}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 68   and name HG2 ))
  ASSI { 1073}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 80   and name HN  ))
       2.600     0.800     1.400 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.57032E-03 ppm1      8.564 ppm2      8.104 CV     1
  OR { 1073}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 78   and name HN  ))
  ASSI { 3728}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 78   and name HG1 ))
       3.100     1.300     2.900 peak  3728 spectrum    1 weight  0.10000E+01 volume  0.34638E-02 ppm1      4.668 ppm2      1.488 CV     1
  OR { 3728}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 82   and name HG11))
  ASSI { 3730}
    (( segid "    " and resid 79   and name HA  ))
    (  segid "    " and resid 80   and name HG1%)
       4.300     2.500     1.700 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.10099E-02 ppm1      4.654 ppm2      0.860 CV     1
  OR { 3730}
    (( segid "    " and resid 79   and name HA  ))
    (  segid "    " and resid 82   and name HD1%)
  ASSI { 3736}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 81   and name HA  ))
       4.300     2.500     1.700 peak  3736 spectrum    1 weight  0.10000E+01 volume  0.47714E-03 ppm1      4.093 ppm2      4.673 CV     1
  OR { 3736}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 79   and name HA  ))
  ASSI { 3741}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 68   and name HB2 ))
       3.300     1.500     2.700 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.73311E-02 ppm1      4.095 ppm2      2.264 CV     1
  OR { 3741}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 71   and name HB  ))
  ASSI { 3749}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 85   and name HN  ))
       2.500     0.700     3.500 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.91118E-02 ppm1      2.018 ppm2      8.181 CV     1
  OR { 3749}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 72   and name HN  ))
  ASSI { 1088}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 84   and name HA1 ))
       4.100     2.300     1.900 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      8.664 ppm2      4.050 CV     1
  OR { 1088}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 72   and name HB1 ))
  ASSI { 1091}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 81   and name HD2 ))
       5.500     3.700     0.500 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.12589E-03 ppm1      8.660 ppm2      7.088 CV     1
  OR { 1091}
    (( segid "    " and resid 81   and name HN  ))
    (( segid "    " and resid 68   and name HE22))
  OR { 1091}
    (( segid "    " and resid 81   and name HN  ))
    (  segid "    " and resid 85   and name HE% )
  ASSI { 3755}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 81   and name HD2 ))
       4.100     2.300     1.900 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.37559E-03 ppm1      4.711 ppm2      7.063 CV     1
  OR { 3755}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 68   and name HE22))
  ASSI { 3761}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 81   and name HD2 ))
       3.800     2.000     2.200 peak  3761 spectrum    1 weight  0.10000E+01 volume  0.11170E-02 ppm1      3.153 ppm2      7.067 CV     1
  OR { 3761}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 68   and name HE22))
  ASSI { 1099}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 78   and name HE1 ))
       3.500     1.700     2.500 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.92227E-03 ppm1      8.281 ppm2      3.094 CV     1
  OR { 1099}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 81   and name HB1 ))
  ASSI { 1100}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 82   and name HA  ))
       3.000     1.200     1.800 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.82492E-03 ppm1      8.286 ppm2      4.182 CV     1
  OR { 1100}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 69   and name HA  ))
  ASSI { 1103}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 81   and name HD2 ))
       4.200     2.400     1.800 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.15441E-03 ppm1      8.281 ppm2      7.087 CV     1
  OR { 1103}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 68   and name HE22))
  ASSI { 3763}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 69   and name HA  ))
       2.900     1.100     1.700 peak  3763 spectrum    1 weight  0.10000E+01 volume  0.62041E-03 ppm1      0.873 ppm2      4.181 CV     1
  OR { 3763}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 82   and name HA  ))
  ASSI { 3764}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 81   and name HA  ))
       2.200     0.400     3.800 peak  3764 spectrum    1 weight  0.10000E+01 volume  0.33386E-03 ppm1      0.874 ppm2      4.680 CV     1
  OR { 3764}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 79   and name HA  ))
  ASSI { 3765}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 70   and name HA  ))
       2.300     0.500     3.700 peak  3765 spectrum    1 weight  0.10000E+01 volume  0.27822E-03 ppm1      0.871 ppm2      3.975 CV     1
  OR { 3765}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 67   and name HA  ))
  OR { 3765}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 77   and name HA1 ))
  OR { 3765}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 84   and name HA2 ))
  ASSI { 3767}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 78   and name HE1 ))
       2.200     0.400     3.800 peak  3767 spectrum    1 weight  0.10000E+01 volume  0.37559E-03 ppm1      0.875 ppm2      3.077 CV     1
  OR { 3767}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 73   and name HB1 ))
  OR { 3767}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 81   and name HB1 ))
  OR { 3767}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 75   and name HB1 ))
  ASSI { 3773}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 70   and name HN  ))
       2.000     0.200     4.000 peak  3773 spectrum    1 weight  0.10000E+01 volume  0.71500E-03 ppm1      0.875 ppm2      8.535 CV     1
  OR { 3773}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 79   and name HN  ))
  ASSI { 3774}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 78   and name HN  ))
       1.800     0.000     4.200 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.12339E-02 ppm1      0.872 ppm2      8.093 CV     1
  OR { 3774}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 80   and name HN  ))
  ASSI { 3778}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 81   and name HD2 ))
       1.900     0.100     4.100 peak  3778 spectrum    1 weight  0.10000E+01 volume  0.81795E-03 ppm1      0.871 ppm2      7.072 CV     1
  OR { 3778}
    (  segid "    " and resid 82   and name HD1%)
    (( segid "    " and resid 68   and name HE22))
  OR { 3778}
    (  segid "    " and resid 82   and name HD1%)
    (  segid "    " and resid 9    and name HD% )
  ASSI { 3780}
    (( segid "    " and resid 82   and name HG12))
    (( segid "    " and resid 82   and name HB  ))
       3.000     1.200     1.900 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.15580E-02 ppm1      1.177 ppm2      1.893 CV     1
  OR { 3780}
    (( segid "    " and resid 82   and name HG12))
    (( segid "    " and resid 65   and name HG  ))
  ASSI { 3787}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 78   and name HE1 ))
       2.600     0.800     3.400 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.13215E-03 ppm1      0.932 ppm2      3.040 CV     1
  OR { 3787}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 73   and name HB1 ))
  OR { 3787}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 53   and name HE1 ))
  OR { 3787}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 64   and name HE1 ))
  ASSI { 3792}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 72   and name HN  ))
       4.800     3.000     1.200 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.61345E-03 ppm1      0.934 ppm2      8.185 CV     1
  OR { 3792}
    (  segid "    " and resid 82   and name HG2%)
    (( segid "    " and resid 85   and name HN  ))
  ASSI { 1109}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 65   and name HB2 ))
       3.400     1.600     2.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      8.776 ppm2      2.051 CV     1
  OR { 1109}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 80   and name HB  ))
  ASSI { 1110}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 83   and name HG2 ))
       3.800     2.000     2.200 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.65245E-03 ppm1      8.776 ppm2      2.342 CV     1
  OR { 1110}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 83   and name HB1 ))
  OR { 1110}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 69   and name HG1 ))
  ASSI { 1116}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 68   and name HE22))
       4.300     2.500     1.700 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.23092E-04 ppm1      8.777 ppm2      7.087 CV     1
  OR { 1116}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 81   and name HD2 ))
  ASSI { 1117}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 82   and name HN  ))
       4.600     2.800     1.400 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.28379E-03 ppm1      8.776 ppm2      8.271 CV     1
  OR { 1117}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 86   and name HN  ))
  ASSI { 1140}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 81   and name HD2 ))
       3.400     1.600     2.300 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.11699E-02 ppm1      8.172 ppm2      7.090 CV     1
  OR { 1140}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 68   and name HE22))
  OR { 1140}
    (( segid "    " and resid 85   and name HN  ))
    (  segid "    " and resid 85   and name HE% )
  ASSI { 1152}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 88   and name HB2 ))
       2.800     1.000     1.500 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.23510E-02 ppm1      8.623 ppm2      2.034 CV     1
  OR { 1152}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 87   and name HG1 ))

!H-bond
assign ( residue   16 and name HN  ) ( residue   3  and name O )  1.80  0.00  0.50
assign ( residue   16 and name N  )  ( residue   3  and name O )  2.80  0.00  0.50
assign ( residue   5 and name HN  ) ( residue   14  and name O )  1.80  0.00  0.50
assign ( residue   5 and name N  )  ( residue   14  and name O )  2.80  0.00  0.50
assign ( residue   29 and name HN  ) ( residue   25  and name O )  1.80  0.00  0.50
assign ( residue   29 and name N  )  ( residue   25  and name O )  2.80  0.00  0.50
assign ( residue   30 and name HN  ) ( residue   26  and name O )  1.80  0.00  0.50
assign ( residue   30 and name N  )  ( residue   26  and name O )  2.80  0.00  0.50
assign ( residue   31 and name HN  ) ( residue   27  and name O )  1.80  0.00  0.50
assign ( residue   31 and name N  )  ( residue   27  and name O )  2.80  0.00  0.50
assign ( residue   32 and name HN  ) ( residue   28  and name O )  1.80  0.00  0.50
assign ( residue   32 and name N  )  ( residue   28  and name O )  2.80  0.00  0.50
assign ( residue   65 and name HN  ) ( residue   61  and name O )  1.80  0.00  0.50
assign ( residue   65 and name N  )  ( residue   61  and name O )  2.80  0.00  0.50
assign ( residue   66 and name HN  ) ( residue   62  and name O )  1.80  0.00  0.50
assign ( residue   66 and name N  )  ( residue   62  and name O )  2.80  0.00  0.50
assign ( residue   67 and name HN  ) ( residue   63  and name O )  1.80  0.00  0.50
assign ( residue   67 and name N  )  ( residue   63  and name O )  2.80  0.00  0.50
assign ( residue   68 and name HN  ) ( residue   64  and name O )  1.80  0.00  0.50
assign ( residue   68 and name N  )  ( residue   64  and name O )  2.80  0.00  0.50
assign ( residue   69 and name HN  ) ( residue   65  and name O )  1.80  0.00  0.50
assign ( residue   69 and name N  )  ( residue   65  and name O )  2.80  0.00  0.50
assign ( residue   70 and name HN  ) ( residue   66  and name O )  1.80  0.00  0.50
assign ( residue   70 and name N  )  ( residue   66  and name O )  2.80  0.00  0.50
assign ( residue   71 and name HN  ) ( residue   67  and name O )  1.80  0.00  0.50
assign ( residue   71 and name N  )  ( residue   67  and name O )  2.80  0.00  0.50
assign ( residue   72 and name HN  ) ( residue   68  and name O )  1.80  0.00  0.50
assign ( residue   72 and name N  )  ( residue   68  and name O )  2.80  0.00  0.50
assign ( residue   73 and name HN  ) ( residue   69  and name O )  1.80  0.00  0.50
assign ( residue   73 and name N  )  ( residue   69  and name O )  2.80  0.00  0.50
assign ( residue   41 and name HN  ) ( residue   37  and name O )  1.80  0.00  0.50
assign ( residue   41 and name N  )  ( residue   37  and name O )  2.80  0.00  0.50
assign ( residue   42 and name HN  ) ( residue   38  and name O )  1.80  0.00  0.50
assign ( residue   42 and name N  )  ( residue   38  and name O )  2.80  0.00  0.50
assign ( residue   43 and name HN  ) ( residue   39  and name O )  1.80  0.00  0.50
assign ( residue   43 and name N  )  ( residue   39  and name O )  2.80  0.00  0.50
assign ( residue   44 and name HN  ) ( residue   40  and name O )  1.80  0.00  0.50
assign ( residue   44 and name N  )  ( residue   40  and name O )  2.80  0.00  0.50
assign ( residue   45 and name HN  ) ( residue   41  and name O )  1.80  0.00  0.50
assign ( residue   45 and name N  )  ( residue   41  and name O )  2.80  0.00  0.50
assign ( residue   46 and name HN  ) ( residue   42  and name O )  1.80  0.00  0.50
assign ( residue   46 and name N  )  ( residue   42  and name O )  2.80  0.00  0.50
assign ( residue   47 and name HN  ) ( residue   43  and name O )  1.80  0.00  0.50
assign ( residue   47 and name N  )  ( residue   43  and name O )  2.80  0.00  0.50
assign ( residue   48 and name HN  ) ( residue   44  and name O )  1.80  0.00  0.50
assign ( residue   48 and name N  )  ( residue   44  and name O )  2.80  0.00  0.50
assign ( residue   49 and name HN  ) ( residue   45  and name O )  1.80  0.00  0.50
assign ( residue   49 and name N  )  ( residue   45  and name O )  2.80  0.00  0.50
assign ( residue   50 and name HN  ) ( residue   46  and name O )  1.80  0.00  0.50
assign ( residue   50 and name N  )  ( residue   46  and name O )  2.80  0.00  0.50
assign ( residue   51 and name HN  ) ( residue   47  and name O )  1.80  0.00  0.50
assign ( residue   51 and name N  )  ( residue   47  and name O )  2.80  0.00  0.50

!dihedrals
! R 3 Phi  -112.65

assign ( resid   2 and name  C ) ( resid   3 and name  N ) 
       ( resid   3 and name CA ) ( resid   3 and name  C ) 1  -112.65    30.00 2 

! T 4 Phi   -97.59

assign ( resid   3 and name  C ) ( resid   4 and name  N ) 
       ( resid   4 and name CA ) ( resid   4 and name  C ) 1   -97.59    30.00 2 

! F 6 Phi   -99.91

assign ( resid   5 and name  C ) ( resid   6 and name  N ) 
       ( resid   6 and name CA ) ( resid   6 and name  C ) 1   -99.91    30.00 2 

! Y 9 Phi   -70.15

assign ( resid   8 and name  C ) ( resid   9 and name  N ) 
       ( resid   9 and name CA ) ( resid   9 and name  C ) 1   -70.15    30.00 2 

! D 13 Phi   -85.69

assign ( resid  12 and name  C ) ( resid  13 and name  N ) 
       ( resid  13 and name CA ) ( resid  13 and name  C ) 1   -85.69    30.00 2 

! A 14 Phi  -127.66

assign ( resid  13 and name  C ) ( resid  14 and name  N ) 
       ( resid  14 and name CA ) ( resid  14 and name  C ) 1  -127.66    30.00 2 

! E 25 Phi   -61.43

assign ( resid  24 and name  C ) ( resid  25 and name  N ) 
       ( resid  25 and name CA ) ( resid  25 and name  C ) 1   -61.43    30.00 2 

! L 26 Phi   -63.74

assign ( resid  25 and name  C ) ( resid  26 and name  N ) 
       ( resid  26 and name CA ) ( resid  26 and name  C ) 1   -63.74    30.00 2 

! G 27 Phi   -65.70

assign ( resid  26 and name  C ) ( resid  27 and name  N ) 
       ( resid  27 and name CA ) ( resid  27 and name  C ) 1   -65.70    30.00 2 

! K 28 Phi   -66.12

assign ( resid  27 and name  C ) ( resid  28 and name  N ) 
       ( resid  28 and name CA ) ( resid  28 and name  C ) 1   -66.12    30.00 2 

! R 29 Phi   -70.66

assign ( resid  28 and name  C ) ( resid  29 and name  N ) 
       ( resid  29 and name CA ) ( resid  29 and name  C ) 1   -70.66    30.00 2 

! I 30 Phi   -64.97

assign ( resid  29 and name  C ) ( resid  30 and name  N ) 
       ( resid  30 and name CA ) ( resid  30 and name  C ) 1   -64.97    30.00 2 

! Y 31 Phi   -69.07

assign ( resid  30 and name  C ) ( resid  31 and name  N ) 
       ( resid  31 and name CA ) ( resid  31 and name  C ) 1   -69.07    30.00 2 

! N 32 Phi   -73.47

assign ( resid  31 and name  C ) ( resid  32 and name  N ) 
       ( resid  32 and name CA ) ( resid  32 and name  C ) 1   -73.47    30.00 2 

! K 36 Phi   -64.91

assign ( resid  35 and name  C ) ( resid  36 and name  N ) 
       ( resid  36 and name CA ) ( resid  36 and name  C ) 1   -64.91    30.00 2 

! D 37 Phi   -66.00

assign ( resid  36 and name  C ) ( resid  37 and name  N ) 
       ( resid  37 and name CA ) ( resid  37 and name  C ) 1   -66.00    30.00 2 

! A 38 Phi   -65.31

assign ( resid  37 and name  C ) ( resid  38 and name  N ) 
       ( resid  38 and name CA ) ( resid  38 and name  C ) 1   -65.31    30.00 2 

! W 39 Phi   -62.95

assign ( resid  38 and name  C ) ( resid  39 and name  N ) 
       ( resid  39 and name CA ) ( resid  39 and name  C ) 1   -62.95    30.00 2 

! A 40 Phi   -65.22

assign ( resid  39 and name  C ) ( resid  40 and name  N ) 
       ( resid  40 and name CA ) ( resid  40 and name  C ) 1   -65.22    30.00 2 

! Q 41 Phi   -66.26

assign ( resid  40 and name  C ) ( resid  41 and name  N ) 
       ( resid  41 and name CA ) ( resid  41 and name  C ) 1   -66.26    30.00 2 

! W 42 Phi   -67.89

assign ( resid  41 and name  C ) ( resid  42 and name  N ) 
       ( resid  42 and name CA ) ( resid  42 and name  C ) 1   -67.89    30.00 2 

! Q 43 Phi   -63.42

assign ( resid  42 and name  C ) ( resid  43 and name  N ) 
       ( resid  43 and name CA ) ( resid  43 and name  C ) 1   -63.42    30.00 2 

! H 44 Phi   -65.53

assign ( resid  43 and name  C ) ( resid  44 and name  N ) 
       ( resid  44 and name CA ) ( resid  44 and name  C ) 1   -65.53    30.00 2 

! K 45 Phi   -68.36

assign ( resid  44 and name  C ) ( resid  45 and name  N ) 
       ( resid  45 and name CA ) ( resid  45 and name  C ) 1   -68.36    30.00 2 

! Q 46 Phi   -64.54

assign ( resid  45 and name  C ) ( resid  46 and name  N ) 
       ( resid  46 and name CA ) ( resid  46 and name  C ) 1   -64.54    30.00 2 

! T 47 Phi   -68.57

assign ( resid  46 and name  C ) ( resid  47 and name  N ) 
       ( resid  47 and name CA ) ( resid  47 and name  C ) 1   -68.57    30.00 2 

! M 48 Phi   -65.27

assign ( resid  47 and name  C ) ( resid  48 and name  N ) 
       ( resid  48 and name CA ) ( resid  48 and name  C ) 1   -65.27    30.00 2 

! L 49 Phi   -64.75

assign ( resid  48 and name  C ) ( resid  49 and name  N ) 
       ( resid  49 and name CA ) ( resid  49 and name  C ) 1   -64.75    30.00 2 

! I 50 Phi   -66.95

assign ( resid  49 and name  C ) ( resid  50 and name  N ) 
       ( resid  50 and name CA ) ( resid  50 and name  C ) 1   -66.95    30.00 2 

! N 51 Phi   -64.73

assign ( resid  50 and name  C ) ( resid  51 and name  N ) 
       ( resid  51 and name CA ) ( resid  51 and name  C ) 1   -64.73    30.00 2 

! K 53 Phi   -89.49

assign ( resid  52 and name  C ) ( resid  53 and name  N ) 
       ( resid  53 and name CA ) ( resid  53 and name  C ) 1   -89.49    30.00 2 

! N 56 Phi   -90.64

assign ( resid  55 and name  C ) ( resid  56 and name  N ) 
       ( resid  56 and name CA ) ( resid  56 and name  C ) 1   -90.64    30.00 2 

! A 60 Phi   -61.20

assign ( resid  59 and name  C ) ( resid  60 and name  N ) 
       ( resid  60 and name CA ) ( resid  60 and name  C ) 1   -61.20    30.00 2 

! E 61 Phi   -61.48

assign ( resid  60 and name  C ) ( resid  61 and name  N ) 
       ( resid  61 and name CA ) ( resid  61 and name  C ) 1   -61.48    30.00 2 

! H 62 Phi   -63.42

assign ( resid  61 and name  C ) ( resid  62 and name  N ) 
       ( resid  62 and name CA ) ( resid  62 and name  C ) 1   -63.42    30.00 2 

! R 63 Phi   -64.59

assign ( resid  62 and name  C ) ( resid  63 and name  N ) 
       ( resid  63 and name CA ) ( resid  63 and name  C ) 1   -64.59    30.00 2 

! K 64 Phi   -66.21

assign ( resid  63 and name  C ) ( resid  64 and name  N ) 
       ( resid  64 and name CA ) ( resid  64 and name  C ) 1   -66.21    30.00 2 

! L 65 Phi   -65.12

assign ( resid  64 and name  C ) ( resid  65 and name  N ) 
       ( resid  65 and name CA ) ( resid  65 and name  C ) 1   -65.12    30.00 2 

! L 66 Phi   -64.56

assign ( resid  65 and name  C ) ( resid  66 and name  N ) 
       ( resid  66 and name CA ) ( resid  66 and name  C ) 1   -64.56    30.00 2 

! E 67 Phi   -66.59

assign ( resid  66 and name  C ) ( resid  67 and name  N ) 
       ( resid  67 and name CA ) ( resid  67 and name  C ) 1   -66.59    30.00 2 

! Q 68 Phi   -64.21

assign ( resid  67 and name  C ) ( resid  68 and name  N ) 
       ( resid  68 and name CA ) ( resid  68 and name  C ) 1   -64.21    30.00 2 

! E 69 Phi   -64.97

assign ( resid  68 and name  C ) ( resid  69 and name  N ) 
       ( resid  69 and name CA ) ( resid  69 and name  C ) 1   -64.97    30.00 2 

! M 70 Phi   -65.23

assign ( resid  69 and name  C ) ( resid  70 and name  N ) 
       ( resid  70 and name CA ) ( resid  70 and name  C ) 1   -65.23    30.00 2 

! V 71 Phi   -65.94

assign ( resid  70 and name  C ) ( resid  71 and name  N ) 
       ( resid  71 and name CA ) ( resid  71 and name  C ) 1   -65.94    30.00 2 

! S 72 Phi   -64.00

assign ( resid  71 and name  C ) ( resid  72 and name  N ) 
       ( resid  72 and name CA ) ( resid  72 and name  C ) 1   -64.00    30.00 2 

! F 73 Phi   -69.23

assign ( resid  72 and name  C ) ( resid  73 and name  N ) 
       ( resid  73 and name CA ) ( resid  73 and name  C ) 1   -69.23    30.00 2 

! L 74 Phi   -82.21

assign ( resid  73 and name  C ) ( resid  74 and name  N ) 
       ( resid  74 and name CA ) ( resid  74 and name  C ) 1   -82.21    30.00 2 

! F 75 Phi  -107.57

assign ( resid  74 and name  C ) ( resid  75 and name  N ) 
       ( resid  75 and name CA ) ( resid  75 and name  C ) 1  -107.57    30.00 2 

! K 78 Phi   -94.18

assign ( resid  77 and name  C ) ( resid  78 and name  N ) 
       ( resid  78 and name CA ) ( resid  78 and name  C ) 1   -94.18    30.00 2 

! V 80 Phi   -96.12

assign ( resid  79 and name  C ) ( resid  80 and name  N ) 
       ( resid  80 and name CA ) ( resid  80 and name  C ) 1   -96.12    30.00 2 

! H 81 Phi   -91.42

assign ( resid  80 and name  C ) ( resid  81 and name  N ) 
       ( resid  81 and name CA ) ( resid  81 and name  C ) 1   -91.42    30.00 2 

! I 82 Phi   -99.18

assign ( resid  81 and name  C ) ( resid  82 and name  N ) 
       ( resid  82 and name CA ) ( resid  82 and name  C ) 1   -99.18    30.00 2 

! T 86 Phi  -105.31

assign ( resid  85 and name  C ) ( resid  86 and name  N ) 
       ( resid  86 and name CA ) ( resid  86 and name  C ) 1  -105.31    30.00 2 


! R 3 Psi   122.63

assign ( resid   3 and name  N ) ( resid   3 and name CA ) 
       ( resid   3 and name  C ) ( resid   4 and name  N ) 1   122.63    30.00 2 

! T 4 Psi   125.92

assign ( resid   4 and name  N ) ( resid   4 and name CA ) 
       ( resid   4 and name  C ) ( resid   5 and name  N ) 1   125.92    30.00 2 

! F 6 Psi   119.87

assign ( resid   6 and name  N ) ( resid   6 and name CA ) 
       ( resid   6 and name  C ) ( resid   7 and name  N ) 1   119.87    30.00 2 

! Y 9 Psi   -32.94

assign ( resid   9 and name  N ) ( resid   9 and name CA ) 
       ( resid   9 and name  C ) ( resid  10 and name  N ) 1   -32.94    30.00 2 

! D 13 Psi   130.99

assign ( resid  13 and name  N ) ( resid  13 and name CA ) 
       ( resid  13 and name  C ) ( resid  14 and name  N ) 1   130.99    30.00 2 

! A 14 Psi   148.94

assign ( resid  14 and name  N ) ( resid  14 and name CA ) 
       ( resid  14 and name  C ) ( resid  15 and name  N ) 1   148.94    30.00 2 

! E 25 Psi   -38.92

assign ( resid  25 and name  N ) ( resid  25 and name CA ) 
       ( resid  25 and name  C ) ( resid  26 and name  N ) 1   -38.92    30.00 2 

! L 26 Psi   -42.44

assign ( resid  26 and name  N ) ( resid  26 and name CA ) 
       ( resid  26 and name  C ) ( resid  27 and name  N ) 1   -42.44    30.00 2 

! G 27 Psi   -36.52

assign ( resid  27 and name  N ) ( resid  27 and name CA ) 
       ( resid  27 and name  C ) ( resid  28 and name  N ) 1   -36.52    30.00 2 

! K 28 Psi   -40.94

assign ( resid  28 and name  N ) ( resid  28 and name CA ) 
       ( resid  28 and name  C ) ( resid  29 and name  N ) 1   -40.94    30.00 2 

! R 29 Psi   -33.07

assign ( resid  29 and name  N ) ( resid  29 and name CA ) 
       ( resid  29 and name  C ) ( resid  30 and name  N ) 1   -33.07    30.00 2 

! I 30 Psi   -41.60

assign ( resid  30 and name  N ) ( resid  30 and name CA ) 
       ( resid  30 and name  C ) ( resid  31 and name  N ) 1   -41.60    30.00 2 

! Y 31 Psi   -39.35

assign ( resid  31 and name  N ) ( resid  31 and name CA ) 
       ( resid  31 and name  C ) ( resid  32 and name  N ) 1   -39.35    30.00 2 

! N 32 Psi   -29.88

assign ( resid  32 and name  N ) ( resid  32 and name CA ) 
       ( resid  32 and name  C ) ( resid  33 and name  N ) 1   -29.88    30.00 2 

! K 36 Psi   -40.38

assign ( resid  36 and name  N ) ( resid  36 and name CA ) 
       ( resid  36 and name  C ) ( resid  37 and name  N ) 1   -40.38    30.00 2 

! D 37 Psi   -41.65

assign ( resid  37 and name  N ) ( resid  37 and name CA ) 
       ( resid  37 and name  C ) ( resid  38 and name  N ) 1   -41.65    30.00 2 

! A 38 Psi   -42.90

assign ( resid  38 and name  N ) ( resid  38 and name CA ) 
       ( resid  38 and name  C ) ( resid  39 and name  N ) 1   -42.90    30.00 2 

! W 39 Psi   -41.57

assign ( resid  39 and name  N ) ( resid  39 and name CA ) 
       ( resid  39 and name  C ) ( resid  40 and name  N ) 1   -41.57    30.00 2 

! A 40 Psi   -39.35

assign ( resid  40 and name  N ) ( resid  40 and name CA ) 
       ( resid  40 and name  C ) ( resid  41 and name  N ) 1   -39.35    30.00 2 

! Q 41 Psi   -39.47

assign ( resid  41 and name  N ) ( resid  41 and name CA ) 
       ( resid  41 and name  C ) ( resid  42 and name  N ) 1   -39.47    30.00 2 

! W 42 Psi   -41.88

assign ( resid  42 and name  N ) ( resid  42 and name CA ) 
       ( resid  42 and name  C ) ( resid  43 and name  N ) 1   -41.88    30.00 2 

! Q 43 Psi   -45.96

assign ( resid  43 and name  N ) ( resid  43 and name CA ) 
       ( resid  43 and name  C ) ( resid  44 and name  N ) 1   -45.96    30.00 2 

! H 44 Psi   -36.45

assign ( resid  44 and name  N ) ( resid  44 and name CA ) 
       ( resid  44 and name  C ) ( resid  45 and name  N ) 1   -36.45    30.00 2 

! K 45 Psi   -39.81

assign ( resid  45 and name  N ) ( resid  45 and name CA ) 
       ( resid  45 and name  C ) ( resid  46 and name  N ) 1   -39.81    30.00 2 

! Q 46 Psi   -40.24

assign ( resid  46 and name  N ) ( resid  46 and name CA ) 
       ( resid  46 and name  C ) ( resid  47 and name  N ) 1   -40.24    30.00 2 

! T 47 Psi   -37.09

assign ( resid  47 and name  N ) ( resid  47 and name CA ) 
       ( resid  47 and name  C ) ( resid  48 and name  N ) 1   -37.09    30.00 2 

! M 48 Psi   -38.91

assign ( resid  48 and name  N ) ( resid  48 and name CA ) 
       ( resid  48 and name  C ) ( resid  49 and name  N ) 1   -38.91    30.00 2 

! L 49 Psi   -43.80

assign ( resid  49 and name  N ) ( resid  49 and name CA ) 
       ( resid  49 and name  C ) ( resid  50 and name  N ) 1   -43.80    30.00 2 

! I 50 Psi   -40.63

assign ( resid  50 and name  N ) ( resid  50 and name CA ) 
       ( resid  50 and name  C ) ( resid  51 and name  N ) 1   -40.63    30.00 2 

! N 51 Psi   -38.68

assign ( resid  51 and name  N ) ( resid  51 and name CA ) 
       ( resid  51 and name  C ) ( resid  52 and name  N ) 1   -38.68    30.00 2 

! K 53 Psi     2.07

assign ( resid  53 and name  N ) ( resid  53 and name CA ) 
       ( resid  53 and name  C ) ( resid  54 and name  N ) 1     2.07    30.00 2 

! N 56 Psi   119.38

assign ( resid  56 and name  N ) ( resid  56 and name CA ) 
       ( resid  56 and name  C ) ( resid  57 and name  N ) 1   119.38    30.00 2 

! A 60 Psi   -35.45

assign ( resid  60 and name  N ) ( resid  60 and name CA ) 
       ( resid  60 and name  C ) ( resid  61 and name  N ) 1   -35.45    30.00 2 

! E 61 Psi   -44.93

assign ( resid  61 and name  N ) ( resid  61 and name CA ) 
       ( resid  61 and name  C ) ( resid  62 and name  N ) 1   -44.93    30.00 2 

! H 62 Psi   -42.32

assign ( resid  62 and name  N ) ( resid  62 and name CA ) 
       ( resid  62 and name  C ) ( resid  63 and name  N ) 1   -42.32    30.00 2 

! R 63 Psi   -40.17

assign ( resid  63 and name  N ) ( resid  63 and name CA ) 
       ( resid  63 and name  C ) ( resid  64 and name  N ) 1   -40.17    30.00 2 

! K 64 Psi   -42.99

assign ( resid  64 and name  N ) ( resid  64 and name CA ) 
       ( resid  64 and name  C ) ( resid  65 and name  N ) 1   -42.99    30.00 2 

! L 65 Psi   -38.82

assign ( resid  65 and name  N ) ( resid  65 and name CA ) 
       ( resid  65 and name  C ) ( resid  66 and name  N ) 1   -38.82    30.00 2 

! L 66 Psi   -39.50

assign ( resid  66 and name  N ) ( resid  66 and name CA ) 
       ( resid  66 and name  C ) ( resid  67 and name  N ) 1   -39.50    30.00 2 

! E 67 Psi   -43.03

assign ( resid  67 and name  N ) ( resid  67 and name CA ) 
       ( resid  67 and name  C ) ( resid  68 and name  N ) 1   -43.03    30.00 2 

! Q 68 Psi   -37.42

assign ( resid  68 and name  N ) ( resid  68 and name CA ) 
       ( resid  68 and name  C ) ( resid  69 and name  N ) 1   -37.42    30.00 2 

! E 69 Psi   -37.29

assign ( resid  69 and name  N ) ( resid  69 and name CA ) 
       ( resid  69 and name  C ) ( resid  70 and name  N ) 1   -37.29    30.00 2 

! M 70 Psi   -43.39

assign ( resid  70 and name  N ) ( resid  70 and name CA ) 
       ( resid  70 and name  C ) ( resid  71 and name  N ) 1   -43.39    30.00 2 

! V 71 Psi   -38.45

assign ( resid  71 and name  N ) ( resid  71 and name CA ) 
       ( resid  71 and name  C ) ( resid  72 and name  N ) 1   -38.45    30.00 2 

! S 72 Psi   -40.61

assign ( resid  72 and name  N ) ( resid  72 and name CA ) 
       ( resid  72 and name  C ) ( resid  73 and name  N ) 1   -40.61    30.00 2 

! F 73 Psi   -33.59

assign ( resid  73 and name  N ) ( resid  73 and name CA ) 
       ( resid  73 and name  C ) ( resid  74 and name  N ) 1   -33.59    30.00 2 

! L 74 Psi   -24.34

assign ( resid  74 and name  N ) ( resid  74 and name CA ) 
       ( resid  74 and name  C ) ( resid  75 and name  N ) 1   -24.34    30.00 2 

! F 75 Psi   -12.56

assign ( resid  75 and name  N ) ( resid  75 and name CA ) 
       ( resid  75 and name  C ) ( resid  76 and name  N ) 1   -12.56    30.00 2 

! K 78 Psi   148.78

assign ( resid  78 and name  N ) ( resid  78 and name CA ) 
       ( resid  78 and name  C ) ( resid  79 and name  N ) 1   148.78    30.00 2 

! V 80 Psi   115.48

assign ( resid  80 and name  N ) ( resid  80 and name CA ) 
       ( resid  80 and name  C ) ( resid  81 and name  N ) 1   115.48    30.00 2 

! H 81 Psi   129.50

assign ( resid  81 and name  N ) ( resid  81 and name CA ) 
       ( resid  81 and name  C ) ( resid  82 and name  N ) 1   129.50    30.00 2 

! I 82 Psi   118.34

assign ( resid  82 and name  N ) ( resid  82 and name CA ) 
       ( resid  82 and name  C ) ( resid  83 and name  N ) 1   118.34    30.00 2 

! T 86 Psi   125.67

assign ( resid  86 and name  N ) ( resid  86 and name CA ) 
       ( resid  86 and name  C ) ( resid  87 and name  N ) 1   125.67    30.00 2 

    
    


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1   3.136 -23.454  12.827
    2   2H    MET   1          2HT       MET   1   2.490 -23.603  14.379
    3   3H    MET   1          3HT       MET   1   2.438 -22.114  13.584
    4    HA   MET   1           HA       MET   1   1.044 -24.559  12.696
    5   1HB   MET   1          2HB       MET   1  -0.022 -22.074  14.056
    6   2HB   MET   1          1HB       MET   1  -1.026 -23.323  13.333
    7   1HG   MET   1          2HG       MET   1  -0.045 -24.954  14.924
    8   2HG   MET   1          1HG       MET   1   0.820 -23.623  15.691
    9   1HE   MET   1          1HE       MET   1  -3.769 -24.130  15.667
   10   2HE   MET   1          2HE       MET   1  -2.630 -25.285  14.977
   11   3HE   MET   1          3HE       MET   1  -2.863 -23.713  14.212
   12    H    SER   2           H        SER   2   1.459 -24.406  10.551
   13    HA   SER   2           HA       SER   2   1.310 -21.889   9.165
   14   1HB   SER   2          2HB       SER   2   1.608 -24.729   8.169
   15   2HB   SER   2          1HB       SER   2   1.685 -23.297   7.140
   16    HG   SER   2           HG       SER   2   3.586 -22.767   7.956
   17    H    ARG   3           H        ARG   3  -0.648 -21.003   9.036
   18    HA   ARG   3           HA       ARG   3  -3.017 -22.597   8.630
   19   1HB   ARG   3          2HB       ARG   3  -3.104 -20.594  10.051
   20   2HB   ARG   3          1HB       ARG   3  -2.645 -19.593   8.680
   21   1HG   ARG   3          2HG       ARG   3  -5.034 -19.451   9.141
   22   2HG   ARG   3          1HG       ARG   3  -4.729 -20.156   7.552
   23   1HD   ARG   3          2HD       ARG   3  -5.113 -22.382   8.446
   24   2HD   ARG   3          1HD       ARG   3  -5.337 -21.715  10.062
   25    HE   ARG   3           HE       ARG   3  -7.204 -20.423   8.566
   26   1HH1  ARG   3          1HH1      ARG   3  -6.438 -23.797   9.093
   27   2HH1  ARG   3          2HH1      ARG   3  -8.074 -24.331   8.902
   28   1HH2  ARG   3          1HH2      ARG   3  -9.357 -21.114   8.311
   29   2HH2  ARG   3          2HH2      ARG   3  -9.742 -22.800   8.455
   30    H    THR   4           H        THR   4  -3.761 -23.205   6.730
   31    HA   THR   4           HA       THR   4  -2.471 -22.270   4.323
   32    HB   THR   4           HB       THR   4  -4.078 -24.017   3.292
   33    HG1  THR   4           1HG      THR   4  -4.476 -25.609   5.186
   34   1HG2  THR   4          1HG2      THR   4  -1.676 -24.383   3.597
   35   2HG2  THR   4          2HG2      THR   4  -2.587 -25.852   3.953
   36   3HG2  THR   4          3HG2      THR   4  -1.957 -24.864   5.271
   37    H    ILE   5           H        ILE   5  -3.230 -20.765   3.030
   38    HA   ILE   5           HA       ILE   5  -6.137 -20.403   2.814
   39    HB   ILE   5           HB       ILE   5  -5.694 -17.938   2.395
   40   1HG1  ILE   5          2HG1      ILE   5  -3.634 -17.135   3.784
   41   2HG1  ILE   5          1HG1      ILE   5  -3.006 -18.750   3.480
   42   1HG2  ILE   5          1HG2      ILE   5  -5.707 -17.372   4.780
   43   2HG2  ILE   5          2HG2      ILE   5  -5.217 -19.022   5.164
   44   3HG2  ILE   5          3HG2      ILE   5  -6.781 -18.719   4.406
   45   1HD1  ILE   5          1HD1      ILE   5  -2.124 -17.181   1.875
   46   2HD1  ILE   5          2HD1      ILE   5  -3.754 -16.703   1.406
   47   3HD1  ILE   5          3HD1      ILE   5  -3.183 -18.335   1.064
   48    H    PHE   6           H        PHE   6  -6.512 -18.917   0.743
   49    HA   PHE   6           HA       PHE   6  -4.781 -20.019  -1.371
   50   1HB   PHE   6          2HB       PHE   6  -7.687 -19.178  -1.534
   51   2HB   PHE   6          1HB       PHE   6  -6.716 -19.722  -2.900
   52    HD1  PHE   6           1HD      PHE   6  -5.661 -22.056  -2.716
   53    HD2  PHE   6           2HD      PHE   6  -8.867 -20.714  -0.266
   54    HE1  PHE   6           1HE      PHE   6  -6.241 -24.391  -2.199
   55    HE2  PHE   6           2HE      PHE   6  -9.454 -23.041   0.255
   56    HZ   PHE   6           HZ       PHE   6  -8.140 -24.885  -0.713
   57    H    CYS   7           H        CYS   7  -3.328 -18.529  -1.833
   58    HA   CYS   7           HA       CYS   7  -3.876 -15.728  -1.540
   59   1HB   CYS   7          2HB       CYS   7  -1.654 -16.655  -1.025
   60   2HB   CYS   7          1HB       CYS   7  -1.460 -17.119  -2.712
   61    HG   CYS   7           HG       CYS   7  -2.114 -13.864  -2.166
   62    H    THR   8           H        THR   8  -4.351 -14.262  -3.057
   63    HA   THR   8           HA       THR   8  -5.481 -14.991  -5.505
   64    HB   THR   8           HB       THR   8  -5.136 -12.466  -6.007
   65    HG1  THR   8           1HG      THR   8  -4.317 -11.261  -4.378
   66   1HG2  THR   8          1HG2      THR   8  -6.938 -11.855  -4.459
   67   2HG2  THR   8          2HG2      THR   8  -6.668 -13.346  -3.556
   68   3HG2  THR   8          3HG2      THR   8  -7.250 -13.416  -5.220
   69    H    TYR   9           H        TYR   9  -2.247 -13.882  -4.708
   70    HA   TYR   9           HA       TYR   9  -1.444 -13.457  -7.417
   71   1HB   TYR   9          2HB       TYR   9  -0.538 -12.223  -5.444
   72   2HB   TYR   9          1HB       TYR   9   0.262 -13.702  -4.932
   73    HD1  TYR   9           1HD      TYR   9   2.473 -14.016  -5.543
   74    HD2  TYR   9           2HD      TYR   9   0.027 -11.461  -7.907
   75    HE1  TYR   9           1HE      TYR   9   4.429 -13.414  -6.904
   76    HE2  TYR   9           2HE      TYR   9   1.975 -10.859  -9.279
   77    HH   TYR   9           HH       TYR   9   4.964 -12.549  -9.071
   78    H    LEU  10           H        LEU  10  -1.688 -16.227  -5.459
   79    HA   LEU  10           HA       LEU  10   0.311 -17.649  -7.087
   80   1HB   LEU  10          2HB       LEU  10  -0.767 -18.338  -4.355
   81   2HB   LEU  10          1HB       LEU  10   0.365 -19.321  -5.262
   82    HG   LEU  10           HG       LEU  10   0.899 -16.529  -4.241
   83   1HD1  LEU  10          1HD1      LEU  10   2.474 -17.644  -2.721
   84   2HD1  LEU  10          2HD1      LEU  10   1.906 -19.212  -3.301
   85   3HD1  LEU  10          3HD1      LEU  10   0.806 -18.140  -2.435
   86   1HD2  LEU  10          1HD2      LEU  10   2.694 -18.485  -5.672
   87   2HD2  LEU  10          2HD2      LEU  10   3.216 -16.969  -4.936
   88   3HD2  LEU  10          3HD2      LEU  10   2.102 -16.947  -6.303
   89    H    GLN  11           H        GLN  11  -3.003 -17.642  -6.000
   90    HA   GLN  11           HA       GLN  11  -4.853 -18.765  -6.656
   91   1HB   GLN  11          2HB       GLN  11  -3.093 -19.422  -9.013
   92   2HB   GLN  11          1HB       GLN  11  -4.762 -19.961  -8.899
   93   1HG   GLN  11          2HG       GLN  11  -3.805 -17.110  -8.916
   94   2HG   GLN  11          1HG       GLN  11  -4.600 -17.958 -10.241
   95   1HE2  GLN  11          1HE2      GLN  11  -5.003 -16.356  -7.215
   96   2HE2  GLN  11          2HE2      GLN  11  -6.733 -16.337  -7.207
   97    H    ARG  12           H        ARG  12  -2.687 -20.039  -5.053
   98    HA   ARG  12           HA       ARG  12  -3.830 -22.714  -5.096
   99   1HB   ARG  12          2HB       ARG  12  -1.612 -23.767  -4.822
  100   2HB   ARG  12          1HB       ARG  12  -1.793 -22.998  -6.391
  101   1HG   ARG  12          2HG       ARG  12  -0.305 -21.304  -5.880
  102   2HG   ARG  12          1HG       ARG  12  -0.504 -21.514  -4.140
  103   1HD   ARG  12          2HD       ARG  12   0.814 -23.522  -5.960
  104   2HD   ARG  12          1HD       ARG  12   1.685 -22.314  -5.016
  105    HE   ARG  12           HE       ARG  12   0.162 -23.607  -3.167
  106   1HH1  ARG  12          1HH1      ARG  12   2.479 -24.662  -5.569
  107   2HH1  ARG  12          2HH1      ARG  12   2.994 -26.040  -4.653
  108   1HH2  ARG  12          1HH2      ARG  12   0.826 -25.431  -1.951
  109   2HH2  ARG  12          2HH2      ARG  12   2.055 -26.480  -2.594
  110    H    ASP  13           H        ASP  13  -2.812 -23.958  -3.130
  111    HA   ASP  13           HA       ASP  13  -3.436 -22.625  -0.751
  112   1HB   ASP  13          2HB       ASP  13  -2.416 -24.549   0.387
  113   2HB   ASP  13          1HB       ASP  13  -3.437 -25.076  -0.946
  114    H    ALA  14           H        ALA  14  -2.310 -21.419   0.616
  115    HA   ALA  14           HA       ALA  14   0.592 -21.235   0.396
  116   1HB   ALA  14          1HB       ALA  14   0.570 -18.823   0.204
  117   2HB   ALA  14          2HB       ALA  14  -1.192 -18.810   0.207
  118   3HB   ALA  14          3HB       ALA  14  -0.319 -19.532  -1.146
  119    H    GLU  15           H        GLU  15   1.456 -19.798   2.190
  120    HA   GLU  15           HA       GLU  15   0.033 -20.520   4.625
  121   1HB   GLU  15          2HB       GLU  15   2.470 -21.022   4.364
  122   2HB   GLU  15          1HB       GLU  15   2.782 -19.292   4.311
  123   1HG   GLU  15          2HG       GLU  15   1.908 -19.047   6.564
  124   2HG   GLU  15          1HG       GLU  15   1.536 -20.770   6.617
  125    H    GLY  16           H        GLY  16  -1.053 -19.105   5.819
  126   1HA   GLY  16          2HA       GLY  16  -1.655 -16.528   4.893
  127   2HA   GLY  16          1HA       GLY  16  -2.013 -17.139   6.500
  128    H    GLN  17           H        GLN  17  -1.212 -14.487   5.738
  129    HA   GLN  17           HA       GLN  17   1.492 -13.991   6.358
  130   1HB   GLN  17          2HB       GLN  17  -0.799 -12.507   5.599
  131   2HB   GLN  17          1HB       GLN  17  -0.161 -11.756   7.052
  132   1HG   GLN  17          2HG       GLN  17   1.406 -12.331   4.546
  133   2HG   GLN  17          1HG       GLN  17   0.747 -10.764   5.005
  134   1HE2  GLN  17          1HE2      GLN  17   1.718  -9.594   6.629
  135   2HE2  GLN  17          2HE2      GLN  17   3.281  -9.986   7.254
  136    H    ASP  18           H        ASP  18   2.018 -12.450   8.300
  137    HA   ASP  18           HA       ASP  18   1.721 -14.112  10.590
  138   1HB   ASP  18          2HB       ASP  18   3.021 -11.405  10.272
  139   2HB   ASP  18          1HB       ASP  18   3.082 -12.358  11.751
  140    H    PHE  19           H        PHE  19   1.395 -10.618  10.860
  141    HA   PHE  19           HA       PHE  19  -1.308 -10.690  11.777
  142   1HB   PHE  19          2HB       PHE  19  -0.775  -9.988  14.123
  143   2HB   PHE  19          1HB       PHE  19  -0.374 -11.662  13.767
  144    HD1  PHE  19           1HD      PHE  19   1.002  -8.303  14.374
  145    HD2  PHE  19           2HD      PHE  19   1.884 -12.434  13.855
  146    HE1  PHE  19           1HE      PHE  19   3.290  -7.914  15.192
  147    HE2  PHE  19           2HE      PHE  19   4.173 -12.053  14.667
  148    HZ   PHE  19           HZ       PHE  19   4.881  -9.792  15.338
  149    H    GLN  20           H        GLN  20  -1.538  -8.479  13.229
  150    HA   GLN  20           HA       GLN  20  -0.998  -6.431  11.313
  151   1HB   GLN  20          2HB       GLN  20  -2.145  -6.183  14.099
  152   2HB   GLN  20          1HB       GLN  20  -2.188  -4.946  12.849
  153   1HG   GLN  20          2HG       GLN  20  -3.598  -7.600  12.842
  154   2HG   GLN  20          1HG       GLN  20  -4.320  -5.995  12.940
  155   1HE2  GLN  20          1HE2      GLN  20  -4.693  -8.191  11.028
  156   2HE2  GLN  20          2HE2      GLN  20  -4.379  -7.509   9.472
  157    H    LEU  21           H        LEU  21   1.084  -5.961  11.119
  158    HA   LEU  21           HA       LEU  21   2.617  -5.319  13.531
  159   1HB   LEU  21          2HB       LEU  21   4.508  -5.320  11.653
  160   2HB   LEU  21          1HB       LEU  21   3.993  -6.777  12.480
  161    HG   LEU  21           HG       LEU  21   2.468  -7.257  10.551
  162   1HD1  LEU  21          1HD1      LEU  21   2.209  -5.022   9.665
  163   2HD1  LEU  21          2HD1      LEU  21   2.881  -6.089   8.433
  164   3HD1  LEU  21          3HD1      LEU  21   3.928  -4.948   9.278
  165   1HD2  LEU  21          1HD2      LEU  21   4.616  -8.353  10.727
  166   2HD2  LEU  21          2HD2      LEU  21   5.405  -6.989   9.939
  167   3HD2  LEU  21          3HD2      LEU  21   4.261  -7.985   9.042
  168    H    TYR  22           H        TYR  22   0.709  -3.767  11.508
  169    HA   TYR  22           HA       TYR  22   1.593  -1.221  12.207
  170   1HB   TYR  22          2HB       TYR  22   3.387  -1.577  10.566
  171   2HB   TYR  22          1HB       TYR  22   2.192  -1.892   9.315
  172    HD1  TYR  22           1HD      TYR  22   1.642  -0.144   7.908
  173    HD2  TYR  22           2HD      TYR  22   3.016   0.746  11.834
  174    HE1  TYR  22           1HE      TYR  22   1.539   2.259   7.393
  175    HE2  TYR  22           2HE      TYR  22   2.917   3.152  11.332
  176    HH   TYR  22           HH       TYR  22   2.935   4.638   9.442
  177    HA   PRO  23           HA       PRO  23  -2.197  -0.881   9.345
  178   1HB   PRO  23          2HB       PRO  23  -2.880  -3.422   8.180
  179   2HB   PRO  23          1HB       PRO  23  -2.377  -1.944   7.358
  180   1HG   PRO  23          2HG       PRO  23  -0.882  -4.243   7.448
  181   2HG   PRO  23          1HG       PRO  23  -0.204  -2.624   7.210
  182   1HD   PRO  23          2HD       PRO  23  -0.349  -4.270   9.706
  183   2HD   PRO  23          1HD       PRO  23   0.974  -3.253   9.103
  184    H    GLY  24           H        GLY  24  -4.527  -2.065   9.194
  185   1HA   GLY  24          2HA       GLY  24  -4.938  -3.752  11.549
  186   2HA   GLY  24          1HA       GLY  24  -5.795  -2.218  11.473
  187    H    GLU  25           H        GLU  25  -7.310  -1.883   9.760
  188    HA   GLU  25           HA       GLU  25  -8.905  -4.202   9.303
  189   1HB   GLU  25          2HB       GLU  25  -9.175  -1.428   8.132
  190   2HB   GLU  25          1HB       GLU  25 -10.411  -2.679   8.117
  191   1HG   GLU  25          2HG       GLU  25  -9.301  -1.242  10.513
  192   2HG   GLU  25          1HG       GLU  25 -10.931  -1.128   9.849
  193    H    LEU  26           H        LEU  26  -7.078  -2.025   7.176
  194    HA   LEU  26           HA       LEU  26  -7.446  -3.477   4.798
  195   1HB   LEU  26          2HB       LEU  26  -5.202  -1.667   5.689
  196   2HB   LEU  26          1HB       LEU  26  -5.324  -2.326   4.070
  197    HG   LEU  26           HG       LEU  26  -7.396  -0.541   5.345
  198   1HD1  LEU  26          1HD1      LEU  26  -6.536   1.195   3.855
  199   2HD1  LEU  26          2HD1      LEU  26  -5.257   0.106   3.319
  200   3HD1  LEU  26          3HD1      LEU  26  -5.302   0.659   4.993
  201   1HD2  LEU  26          1HD2      LEU  26  -8.347  -1.985   3.662
  202   2HD2  LEU  26          2HD2      LEU  26  -7.054  -1.581   2.535
  203   3HD2  LEU  26          3HD2      LEU  26  -8.217  -0.347   3.017
  204    H    GLY  27           H        GLY  27  -5.134  -3.744   7.410
  205   1HA   GLY  27          2HA       GLY  27  -3.233  -5.414   6.271
  206   2HA   GLY  27          1HA       GLY  27  -3.637  -5.377   7.982
  207    H    LYS  28           H        LYS  28  -5.993  -6.458   8.304
  208    HA   LYS  28           HA       LYS  28  -5.433  -9.188   7.786
  209   1HB   LYS  28          2HB       LYS  28  -7.710  -9.574   8.836
  210   2HB   LYS  28          1HB       LYS  28  -6.497  -8.780   9.825
  211   1HG   LYS  28          2HG       LYS  28  -7.574  -6.588   9.196
  212   2HG   LYS  28          1HG       LYS  28  -8.886  -7.534   8.482
  213   1HD   LYS  28          2HD       LYS  28  -9.431  -8.513  10.588
  214   2HD   LYS  28          1HD       LYS  28  -7.971  -7.867  11.335
  215   1HE   LYS  28          2HE       LYS  28  -9.814  -6.542  12.063
  216   2HE   LYS  28          1HE       LYS  28  -8.868  -5.576  10.932
  217   1HZ   LYS  28          1HZ       LYS  28 -11.401  -7.002  10.333
  218   2HZ   LYS  28          2HZ       LYS  28 -10.485  -6.143   9.202
  219   3HZ   LYS  28          3HZ       LYS  28 -11.207  -5.327  10.498
  220    H    ARG  29           H        ARG  29  -7.472  -6.841   6.207
  221    HA   ARG  29           HA       ARG  29  -9.051  -8.653   4.717
  222   1HB   ARG  29          2HB       ARG  29  -9.549  -6.219   5.003
  223   2HB   ARG  29          1HB       ARG  29  -8.214  -5.861   3.916
  224   1HG   ARG  29          2HG       ARG  29  -9.321  -7.014   2.107
  225   2HG   ARG  29          1HG       ARG  29 -10.629  -7.503   3.182
  226   1HD   ARG  29          2HD       ARG  29 -11.468  -5.663   1.992
  227   2HD   ARG  29          1HD       ARG  29 -11.031  -5.024   3.574
  228    HE   ARG  29           HE       ARG  29  -8.821  -4.553   2.089
  229   1HH1  ARG  29          1HH1      ARG  29 -12.215  -3.848   1.651
  230   2HH1  ARG  29          2HH1      ARG  29 -11.935  -2.438   0.685
  231   1HH2  ARG  29          1HH2      ARG  29  -8.449  -2.672   0.793
  232   2HH2  ARG  29          2HH2      ARG  29  -9.802  -1.771   0.191
  233    H    ILE  30           H        ILE  30  -5.816  -7.431   4.319
  234    HA   ILE  30           HA       ILE  30  -5.590  -8.542   1.635
  235    HB   ILE  30           HB       ILE  30  -3.573  -7.106   3.370
  236   1HG1  ILE  30          2HG1      ILE  30  -5.034  -6.191   0.885
  237   2HG1  ILE  30          1HG1      ILE  30  -5.492  -5.753   2.528
  238   1HG2  ILE  30          1HG2      ILE  30  -2.199  -6.971   1.331
  239   2HG2  ILE  30          2HG2      ILE  30  -3.352  -8.013   0.502
  240   3HG2  ILE  30          3HG2      ILE  30  -2.431  -8.633   1.873
  241   1HD1  ILE  30          1HD1      ILE  30  -3.331  -4.646   2.822
  242   2HD1  ILE  30          2HD1      ILE  30  -4.244  -3.969   1.472
  243   3HD1  ILE  30          3HD1      ILE  30  -2.899  -5.069   1.166
  244    H    TYR  31           H        TYR  31  -4.432  -9.147   4.917
  245    HA   TYR  31           HA       TYR  31  -2.491 -11.064   4.421
  246   1HB   TYR  31          2HB       TYR  31  -4.368 -10.781   6.763
  247   2HB   TYR  31          1HB       TYR  31  -3.043 -11.933   6.729
  248    HD1  TYR  31           1HD      TYR  31  -1.425  -9.585   5.049
  249    HD2  TYR  31           2HD      TYR  31  -3.263  -9.995   8.862
  250    HE1  TYR  31           1HE      TYR  31   0.096  -7.882   5.959
  251    HE2  TYR  31           2HE      TYR  31  -1.756  -8.290   9.776
  252    HH   TYR  31           HH       TYR  31   0.447  -7.358   9.294
  253    H    ASN  32           H        ASN  32  -6.000 -11.483   4.501
  254    HA   ASN  32           HA       ASN  32  -5.749 -14.350   4.602
  255   1HB   ASN  32          2HB       ASN  32  -8.153 -14.455   4.464
  256   2HB   ASN  32          1HB       ASN  32  -7.710 -13.176   5.588
  257   1HD2  ASN  32          1HD2      ASN  32  -8.165 -11.055   5.078
  258   2HD2  ASN  32          2HD2      ASN  32  -9.187 -10.619   3.751
  259    H    GLU  33           H        GLU  33  -5.446 -12.095   2.137
  260    HA   GLU  33           HA       GLU  33  -6.144 -14.085   0.072
  261   1HB   GLU  33          2HB       GLU  33  -5.939 -11.069  -0.119
  262   2HB   GLU  33          1HB       GLU  33  -6.244 -12.135  -1.481
  263   1HG   GLU  33          2HG       GLU  33  -8.046 -12.122   0.906
  264   2HG   GLU  33          1HG       GLU  33  -8.225 -10.938  -0.388
  265    H    ILE  34           H        ILE  34  -3.587 -12.549   1.634
  266    HA   ILE  34           HA       ILE  34  -1.796 -12.988  -0.652
  267    HB   ILE  34           HB       ILE  34  -1.835 -10.696   1.292
  268   1HG1  ILE  34          2HG1      ILE  34  -3.220 -10.470  -0.709
  269   2HG1  ILE  34          1HG1      ILE  34  -1.858  -9.357  -0.768
  270   1HG2  ILE  34          1HG2      ILE  34   0.471 -11.438   1.180
  271   2HG2  ILE  34          2HG2      ILE  34   0.275  -9.920   0.304
  272   3HG2  ILE  34          3HG2      ILE  34   0.407 -11.436  -0.583
  273   1HD1  ILE  34          1HD1      ILE  34  -2.149 -11.945  -2.269
  274   2HD1  ILE  34          2HD1      ILE  34  -0.680 -10.972  -2.239
  275   3HD1  ILE  34          3HD1      ILE  34  -2.162 -10.311  -2.934
  276    H    SER  35           H        SER  35  -0.253 -14.359  -0.337
  277    HA   SER  35           HA       SER  35   0.407 -15.391   2.262
  278   1HB   SER  35          2HB       SER  35   0.356 -16.876   0.308
  279   2HB   SER  35          1HB       SER  35   1.602 -15.903  -0.476
  280    HG   SER  35           HG       SER  35   2.234 -17.922   0.726
  281    H    LYS  36           H        LYS  36   2.604 -15.443   3.053
  282    HA   LYS  36           HA       LYS  36   3.965 -13.052   3.287
  283   1HB   LYS  36          2HB       LYS  36   5.050 -15.871   3.424
  284   2HB   LYS  36          1HB       LYS  36   5.888 -14.444   4.018
  285   1HG   LYS  36          2HG       LYS  36   4.428 -14.163   5.790
  286   2HG   LYS  36          1HG       LYS  36   3.159 -15.120   5.021
  287   1HD   LYS  36          2HD       LYS  36   4.315 -17.142   5.429
  288   2HD   LYS  36          1HD       LYS  36   5.788 -16.291   5.896
  289   1HE   LYS  36          2HE       LYS  36   3.188 -16.092   7.398
  290   2HE   LYS  36          1HE       LYS  36   4.461 -17.247   7.796
  291   1HZ   LYS  36          1HZ       LYS  36   4.733 -14.288   7.789
  292   2HZ   LYS  36          2HZ       LYS  36   5.971 -15.387   8.135
  293   3HZ   LYS  36          3HZ       LYS  36   4.633 -15.275   9.163
  294    H    ASP  37           H        ASP  37   4.211 -15.537   0.853
  295    HA   ASP  37           HA       ASP  37   6.608 -14.827  -0.399
  296   1HB   ASP  37          2HB       ASP  37   5.231 -16.903  -0.803
  297   2HB   ASP  37          1HB       ASP  37   4.127 -15.916  -1.751
  298    H    ALA  38           H        ALA  38   3.293 -13.991  -1.389
  299    HA   ALA  38           HA       ALA  38   4.060 -12.191  -3.417
  300   1HB   ALA  38          1HB       ALA  38   1.455 -12.449  -1.930
  301   2HB   ALA  38          2HB       ALA  38   1.893 -13.250  -3.438
  302   3HB   ALA  38          3HB       ALA  38   1.693 -11.498  -3.395
  303    H    TRP  39           H        TRP  39   3.292 -11.769  -0.020
  304    HA   TRP  39           HA       TRP  39   3.140  -8.982   0.104
  305   1HB   TRP  39          2HB       TRP  39   2.559 -10.570   1.945
  306   2HB   TRP  39          1HB       TRP  39   4.275 -10.870   2.188
  307    HD1  TRP  39           HD       TRP  39   5.640  -9.111   3.567
  308    HE1  TRP  39           1HE      TRP  39   4.975  -7.046   4.948
  309    HE3  TRP  39           3HE      TRP  39   0.809  -8.587   1.968
  310    HZ2  TRP  39           2HZ      TRP  39   2.700  -5.409   5.315
  311    HZ3  TRP  39           3HZ      TRP  39  -0.541  -6.745   2.884
  312    HH2  TRP  39           HH       TRP  39   0.386  -5.191   4.521
  313    H    ALA  40           H        ALA  40   5.920 -11.167   0.370
  314    HA   ALA  40           HA       ALA  40   7.845  -9.108   0.741
  315   1HB   ALA  40          1HB       ALA  40   9.510 -10.832   0.346
  316   2HB   ALA  40          2HB       ALA  40   8.267 -11.915  -0.282
  317   3HB   ALA  40          3HB       ALA  40   8.245 -11.437   1.415
  318    H    GLN  41           H        GLN  41   6.707 -10.906  -2.086
  319    HA   GLN  41           HA       GLN  41   8.480 -10.013  -4.009
  320   1HB   GLN  41          2HB       GLN  41   5.535 -10.626  -4.233
  321   2HB   GLN  41          1HB       GLN  41   6.552 -10.296  -5.626
  322   1HG   GLN  41          2HG       GLN  41   6.989 -12.543  -3.669
  323   2HG   GLN  41          1HG       GLN  41   6.187 -12.695  -5.233
  324   1HE2  GLN  41          1HE2      GLN  41   9.201 -12.294  -3.588
  325   2HE2  GLN  41          2HE2      GLN  41  10.222 -12.528  -4.960
  326    H    TRP  42           H        TRP  42   5.366  -8.513  -3.111
  327    HA   TRP  42           HA       TRP  42   5.646  -6.417  -4.990
  328   1HB   TRP  42          2HB       TRP  42   3.439  -7.039  -4.245
  329   2HB   TRP  42          1HB       TRP  42   3.850  -6.652  -2.574
  330    HD1  TRP  42           HD       TRP  42   2.634  -4.510  -1.917
  331    HE1  TRP  42           1HE      TRP  42   2.225  -2.216  -3.006
  332    HE3  TRP  42           3HE      TRP  42   4.741  -5.389  -6.488
  333    HZ2  TRP  42           2HZ      TRP  42   2.726  -0.952  -5.469
  334    HZ3  TRP  42           3HZ      TRP  42   4.731  -3.587  -8.158
  335    HH2  TRP  42           HH       TRP  42   3.743  -1.413  -7.657
  336    H    GLN  43           H        GLN  43   6.217  -6.531  -1.474
  337    HA   GLN  43           HA       GLN  43   6.722  -3.784  -1.218
  338   1HB   GLN  43          2HB       GLN  43   7.588  -6.116   0.476
  339   2HB   GLN  43          1HB       GLN  43   7.949  -4.448   0.900
  340   1HG   GLN  43          2HG       GLN  43   5.459  -4.015   0.734
  341   2HG   GLN  43          1HG       GLN  43   5.264  -5.767   0.683
  342   1HE2  GLN  43          1HE2      GLN  43   4.389  -3.804   2.678
  343   2HE2  GLN  43          2HE2      GLN  43   5.073  -4.324   4.178
  344    H    HIS  44           H        HIS  44   8.773  -6.394  -2.281
  345    HA   HIS  44           HA       HIS  44  11.219  -4.935  -2.113
  346   1HB   HIS  44          2HB       HIS  44  10.400  -7.330  -3.762
  347   2HB   HIS  44          1HB       HIS  44  12.019  -6.637  -3.823
  348    HD1  HIS  44           1HD      HIS  44  11.703  -9.514  -2.905
  349    HD2  HIS  44           2HD      HIS  44  11.662  -6.267  -0.310
  350    HE1  HIS  44           1HE      HIS  44  12.346 -10.432  -0.662
  351    HE2  HIS  44           2HE      HIS  44  12.448  -8.433   0.859
  352    H    LYS  45           H        LYS  45   8.860  -5.528  -4.675
  353    HA   LYS  45           HA       LYS  45  10.220  -4.128  -6.700
  354   1HB   LYS  45          2HB       LYS  45   8.465  -5.727  -7.213
  355   2HB   LYS  45          1HB       LYS  45   7.278  -4.733  -6.383
  356   1HG   LYS  45          2HG       LYS  45   7.100  -4.513  -8.801
  357   2HG   LYS  45          1HG       LYS  45   7.540  -2.981  -8.047
  358   1HD   LYS  45          2HD       LYS  45   8.853  -3.267 -10.035
  359   2HD   LYS  45          1HD       LYS  45   9.912  -3.438  -8.637
  360   1HE   LYS  45          2HE       LYS  45  10.462  -5.144 -10.243
  361   2HE   LYS  45          1HE       LYS  45   9.708  -5.901  -8.840
  362   1HZ   LYS  45          1HZ       LYS  45   8.369  -5.292 -11.421
  363   2HZ   LYS  45          2HZ       LYS  45   7.617  -5.982 -10.075
  364   3HZ   LYS  45          3HZ       LYS  45   8.841  -6.822 -10.878
  365    H    GLN  46           H        GLN  46   7.662  -3.083  -4.448
  366    HA   GLN  46           HA       GLN  46   7.391  -0.508  -5.580
  367   1HB   GLN  46          2HB       GLN  46   5.667  -1.511  -4.144
  368   2HB   GLN  46          1HB       GLN  46   6.756  -1.406  -2.766
  369   1HG   GLN  46          2HG       GLN  46   5.103   0.388  -2.763
  370   2HG   GLN  46          1HG       GLN  46   6.748   1.005  -2.898
  371   1HE2  GLN  46          1HE2      GLN  46   3.735   0.515  -4.561
  372   2HE2  GLN  46          2HE2      GLN  46   4.047   1.592  -5.882
  373    H    THR  47           H        THR  47   9.381  -1.709  -2.888
  374    HA   THR  47           HA       THR  47  10.475   0.724  -2.078
  375    HB   THR  47           HB       THR  47  11.855  -1.971  -2.174
  376    HG1  THR  47           1HG      THR  47  10.152  -2.233  -0.836
  377   1HG2  THR  47          1HG2      THR  47  12.493   0.463  -0.498
  378   2HG2  THR  47          2HG2      THR  47  13.439  -0.106  -1.872
  379   3HG2  THR  47          3HG2      THR  47  13.308  -1.097  -0.420
  380    H    MET  48           H        MET  48  11.496  -1.485  -4.653
  381    HA   MET  48           HA       MET  48  13.684  -0.010  -5.612
  382   1HB   MET  48          2HB       MET  48  13.298  -2.300  -6.303
  383   2HB   MET  48          1HB       MET  48  11.765  -1.859  -7.042
  384   1HG   MET  48          2HG       MET  48  13.420  -2.181  -8.745
  385   2HG   MET  48          1HG       MET  48  12.974  -0.479  -8.674
  386   1HE   MET  48          1HE       MET  48  15.146   0.084 -10.145
  387   2HE   MET  48          2HE       MET  48  15.541  -1.636 -10.167
  388   3HE   MET  48          3HE       MET  48  16.767  -0.456  -9.707
  389    H    LEU  49           H        LEU  49  10.240   0.089  -6.454
  390    HA   LEU  49           HA       LEU  49  10.428   1.961  -8.537
  391   1HB   LEU  49          2HB       LEU  49   8.140   1.487  -6.632
  392   2HB   LEU  49          1HB       LEU  49   8.034   2.388  -8.130
  393    HG   LEU  49           HG       LEU  49   8.612  -0.562  -7.862
  394   1HD1  LEU  49          1HD1      LEU  49   6.443  -0.826  -8.970
  395   2HD1  LEU  49          2HD1      LEU  49   6.205   0.920  -8.909
  396   3HD1  LEU  49          3HD1      LEU  49   6.294  -0.010  -7.414
  397   1HD2  LEU  49          1HD2      LEU  49   8.502  -0.630 -10.291
  398   2HD2  LEU  49          2HD2      LEU  49   9.815   0.415  -9.752
  399   3HD2  LEU  49          3HD2      LEU  49   8.312   1.124 -10.343
  400    H    ILE  50           H        ILE  50   9.964   2.400  -5.051
  401    HA   ILE  50           HA       ILE  50   9.572   5.185  -5.078
  402    HB   ILE  50           HB       ILE  50  10.809   3.474  -2.912
  403   1HG1  ILE  50          2HG1      ILE  50   7.968   4.451  -3.266
  404   2HG1  ILE  50          1HG1      ILE  50   8.520   2.811  -3.588
  405   1HG2  ILE  50          1HG2      ILE  50  10.186   5.281  -1.380
  406   2HG2  ILE  50          2HG2      ILE  50   9.649   6.254  -2.748
  407   3HG2  ILE  50          3HG2      ILE  50  11.355   5.827  -2.586
  408   1HD1  ILE  50          1HD1      ILE  50   8.565   4.186  -0.915
  409   2HD1  ILE  50          2HD1      ILE  50   9.094   2.535  -1.241
  410   3HD1  ILE  50          3HD1      ILE  50   7.397   2.976  -1.440
  411    H    ASN  51           H        ASN  51  12.498   3.240  -5.146
  412    HA   ASN  51           HA       ASN  51  14.301   5.399  -4.698
  413   1HB   ASN  51          2HB       ASN  51  14.751   2.706  -5.996
  414   2HB   ASN  51          1HB       ASN  51  16.034   3.843  -5.600
  415   1HD2  ASN  51          1HD2      ASN  51  15.663   1.153  -4.665
  416   2HD2  ASN  51          2HD2      ASN  51  15.533   1.237  -2.942
  417    H    GLU  52           H        GLU  52  12.697   4.100  -7.491
  418    HA   GLU  52           HA       GLU  52  14.302   5.574  -9.384
  419   1HB   GLU  52          2HB       GLU  52  11.740   4.002  -9.682
  420   2HB   GLU  52          1HB       GLU  52  12.603   4.739 -11.022
  421   1HG   GLU  52          2HG       GLU  52  13.680   2.608  -9.190
  422   2HG   GLU  52          1HG       GLU  52  13.083   2.360 -10.831
  423    H    LYS  53           H        LYS  53  11.032   5.776  -8.057
  424    HA   LYS  53           HA       LYS  53  10.290   8.051  -9.623
  425   1HB   LYS  53          2HB       LYS  53   9.012   6.860  -7.155
  426   2HB   LYS  53          1HB       LYS  53   8.276   8.079  -8.187
  427   1HG   LYS  53          2HG       LYS  53   8.145   6.556 -10.019
  428   2HG   LYS  53          1HG       LYS  53   9.109   5.356  -9.157
  429   1HD   LYS  53          2HD       LYS  53   7.336   5.134  -7.485
  430   2HD   LYS  53          1HD       LYS  53   6.372   6.339  -8.340
  431   1HE   LYS  53          2HE       LYS  53   6.229   4.891 -10.278
  432   2HE   LYS  53          1HE       LYS  53   7.284   3.712  -9.501
  433   1HZ   LYS  53          1HZ       LYS  53   5.609   3.354  -7.810
  434   2HZ   LYS  53          2HZ       LYS  53   4.941   3.088  -9.339
  435   3HZ   LYS  53          3HZ       LYS  53   4.606   4.518  -8.510
  436    H    LYS  54           H        LYS  54  11.774   7.570  -6.521
  437    HA   LYS  54           HA       LYS  54  12.695   8.987  -5.001
  438   1HB   LYS  54          2HB       LYS  54  12.343  11.100  -7.142
  439   2HB   LYS  54          1HB       LYS  54  13.359  11.231  -5.716
  440   1HG   LYS  54          2HG       LYS  54  14.757   9.405  -6.541
  441   2HG   LYS  54          1HG       LYS  54  13.735   9.278  -7.974
  442   1HD   LYS  54          2HD       LYS  54  15.719  10.566  -8.499
  443   2HD   LYS  54          1HD       LYS  54  14.299  11.610  -8.555
  444   1HE   LYS  54          2HE       LYS  54  16.201  12.693  -7.440
  445   2HE   LYS  54          1HE       LYS  54  14.825  12.492  -6.357
  446   1HZ   LYS  54          1HZ       LYS  54  17.214  10.733  -6.449
  447   2HZ   LYS  54          2HZ       LYS  54  15.903  10.564  -5.394
  448   3HZ   LYS  54          3HZ       LYS  54  16.910  11.918  -5.283
  449    H    LEU  55           H        LEU  55   9.851   8.554  -5.018
  450    HA   LEU  55           HA       LEU  55   8.617  11.131  -4.593
  451   1HB   LEU  55          2HB       LEU  55   6.534   9.825  -4.307
  452   2HB   LEU  55          1HB       LEU  55   7.332   9.564  -5.842
  453    HG   LEU  55           HG       LEU  55   8.303   7.431  -4.763
  454   1HD1  LEU  55          1HD1      LEU  55   5.996   7.922  -2.880
  455   2HD1  LEU  55          2HD1      LEU  55   7.704   7.936  -2.446
  456   3HD1  LEU  55          3HD1      LEU  55   6.948   6.441  -2.995
  457   1HD2  LEU  55          1HD2      LEU  55   5.357   7.662  -5.348
  458   2HD2  LEU  55          2HD2      LEU  55   6.289   6.165  -5.330
  459   3HD2  LEU  55          3HD2      LEU  55   6.644   7.410  -6.527
  460    H    ASN  56           H        ASN  56   7.386  11.640  -2.715
  461    HA   ASN  56           HA       ASN  56   8.341  10.328  -0.260
  462   1HB   ASN  56          2HB       ASN  56   8.128  12.422   0.904
  463   2HB   ASN  56          1HB       ASN  56   9.055  12.731  -0.561
  464   1HD2  ASN  56          1HD2      ASN  56   8.153  13.974  -2.192
  465   2HD2  ASN  56          2HD2      ASN  56   6.707  14.905  -1.961
  466    H    MET  57           H        MET  57   6.778  10.039   1.428
  467    HA   MET  57           HA       MET  57   4.153   9.490   0.305
  468   1HB   MET  57          2HB       MET  57   5.423   8.738   2.936
  469   2HB   MET  57          1HB       MET  57   3.782   8.299   2.484
  470   1HG   MET  57          2HG       MET  57   6.279   7.496   1.005
  471   2HG   MET  57          1HG       MET  57   5.361   6.474   2.111
  472   1HE   MET  57          1HE       MET  57   6.140   5.713  -0.920
  473   2HE   MET  57          2HE       MET  57   4.642   4.937  -1.434
  474   3HE   MET  57          3HE       MET  57   5.283   4.635   0.180
  475    H    MET  58           H        MET  58   5.203  12.250   1.262
  476    HA   MET  58           HA       MET  58   3.159  12.868   3.263
  477   1HB   MET  58          2HB       MET  58   5.301  14.643   2.076
  478   2HB   MET  58          1HB       MET  58   4.224  15.078   3.394
  479   1HG   MET  58          2HG       MET  58   5.213  13.297   4.762
  480   2HG   MET  58          1HG       MET  58   6.321  12.920   3.442
  481   1HE   MET  58          1HE       MET  58   8.356  16.305   3.206
  482   2HE   MET  58          2HE       MET  58   6.844  15.967   2.366
  483   3HE   MET  58          3HE       MET  58   8.089  14.722   2.477
  484    H    ASN  59           H        ASN  59   3.320  12.651   0.001
  485    HA   ASN  59           HA       ASN  59   1.404  14.855  -0.402
  486   1HB   ASN  59          2HB       ASN  59   3.254  13.584  -2.431
  487   2HB   ASN  59          1HB       ASN  59   2.074  14.835  -2.786
  488   1HD2  ASN  59          1HD2      ASN  59   2.581  16.312  -0.331
  489   2HD2  ASN  59          2HD2      ASN  59   4.120  17.076  -0.534
  490    H    ALA  60           H        ALA  60  -0.565  14.363  -1.128
  491    HA   ALA  60           HA       ALA  60  -1.572  11.769  -1.019
  492   1HB   ALA  60          1HB       ALA  60  -3.609  12.693  -1.991
  493   2HB   ALA  60          2HB       ALA  60  -2.732  14.145  -2.473
  494   3HB   ALA  60          3HB       ALA  60  -2.950  13.775  -0.763
  495    H    GLU  61           H        GLU  61  -0.315  13.622  -3.711
  496    HA   GLU  61           HA       GLU  61  -1.079  12.116  -5.894
  497   1HB   GLU  61          2HB       GLU  61   1.677  13.268  -5.452
  498   2HB   GLU  61          1HB       GLU  61   0.913  12.934  -6.999
  499   1HG   GLU  61          2HG       GLU  61  -0.691  14.689  -6.638
  500   2HG   GLU  61          1HG       GLU  61  -0.067  14.971  -5.012
  501    H    HIS  62           H        HIS  62   1.836  11.703  -3.933
  502    HA   HIS  62           HA       HIS  62   2.563   9.309  -5.358
  503   1HB   HIS  62          2HB       HIS  62   3.875  10.472  -2.899
  504   2HB   HIS  62          1HB       HIS  62   4.577   9.330  -4.040
  505    HD1  HIS  62           1HD      HIS  62   4.546  10.490  -6.671
  506    HD2  HIS  62           2HD      HIS  62   4.778  12.960  -3.338
  507    HE1  HIS  62           1HE      HIS  62   5.452  12.671  -7.510
  508    HE2  HIS  62           2HE      HIS  62   5.381  14.210  -5.521
  509    H    ARG  63           H        ARG  63   0.927  10.148  -2.446
  510    HA   ARG  63           HA       ARG  63   1.237   7.672  -1.087
  511   1HB   ARG  63          2HB       ARG  63   0.554   9.806   0.005
  512   2HB   ARG  63          1HB       ARG  63  -0.986   9.707  -0.835
  513   1HG   ARG  63          2HG       ARG  63  -1.258   8.960   1.426
  514   2HG   ARG  63          1HG       ARG  63  -1.455   7.587   0.339
  515   1HD   ARG  63          2HD       ARG  63   0.784   6.824   0.824
  516   2HD   ARG  63          1HD       ARG  63   1.097   8.261   1.795
  517    HE   ARG  63           HE       ARG  63  -1.147   6.753   2.734
  518   1HH1  ARG  63          1HH1      ARG  63   2.345   6.963   2.799
  519   2HH1  ARG  63          2HH1      ARG  63   2.499   6.183   4.340
  520   1HH2  ARG  63          1HH2      ARG  63  -0.951   5.730   4.784
  521   2HH2  ARG  63          2HH2      ARG  63   0.627   5.509   5.476
  522    H    LYS  64           H        LYS  64  -1.233   8.989  -3.285
  523    HA   LYS  64           HA       LYS  64  -2.851   6.639  -3.112
  524   1HB   LYS  64          2HB       LYS  64  -4.332   7.657  -4.560
  525   2HB   LYS  64          1HB       LYS  64  -3.553   9.048  -3.828
  526   1HG   LYS  64          2HG       LYS  64  -2.106   9.260  -5.802
  527   2HG   LYS  64          1HG       LYS  64  -2.929   7.880  -6.536
  528   1HD   LYS  64          2HD       LYS  64  -5.087   9.206  -6.211
  529   2HD   LYS  64          1HD       LYS  64  -4.049  10.594  -5.881
  530   1HE   LYS  64          2HE       LYS  64  -4.609  10.721  -8.176
  531   2HE   LYS  64          1HE       LYS  64  -2.946  10.141  -8.110
  532   1HZ   LYS  64          1HZ       LYS  64  -3.692   7.922  -8.542
  533   2HZ   LYS  64          2HZ       LYS  64  -4.366   8.934  -9.717
  534   3HZ   LYS  64          3HZ       LYS  64  -5.314   8.380  -8.434
  535    H    LEU  65           H        LEU  65  -0.121   7.616  -5.021
  536    HA   LEU  65           HA       LEU  65  -0.227   5.723  -7.076
  537   1HB   LEU  65          2HB       LEU  65   1.794   7.368  -5.828
  538   2HB   LEU  65          1HB       LEU  65   2.444   5.788  -6.207
  539    HG   LEU  65           HG       LEU  65   2.894   7.338  -8.009
  540   1HD1  LEU  65          1HD1      LEU  65   1.937   6.086  -9.871
  541   2HD1  LEU  65          2HD1      LEU  65   0.776   5.334  -8.779
  542   3HD1  LEU  65          3HD1      LEU  65   2.500   5.004  -8.597
  543   1HD2  LEU  65          1HD2      LEU  65   1.109   8.361  -9.295
  544   2HD2  LEU  65          2HD2      LEU  65   1.029   8.871  -7.608
  545   3HD2  LEU  65          3HD2      LEU  65  -0.094   7.655  -8.218
  546    H    LEU  66           H        LEU  66   1.279   5.447  -3.880
  547    HA   LEU  66           HA       LEU  66   2.041   2.786  -3.962
  548   1HB   LEU  66          2HB       LEU  66   2.715   4.273  -2.174
  549   2HB   LEU  66          1HB       LEU  66   1.056   4.445  -1.637
  550    HG   LEU  66           HG       LEU  66   1.063   2.002  -1.068
  551   1HD1  LEU  66          1HD1      LEU  66   2.882   1.299  -2.519
  552   2HD1  LEU  66          2HD1      LEU  66   3.218   0.879  -0.838
  553   3HD1  LEU  66          3HD1      LEU  66   4.020   2.264  -1.579
  554   1HD2  LEU  66          1HD2      LEU  66   2.357   2.288   0.992
  555   2HD2  LEU  66          2HD2      LEU  66   1.363   3.703   0.640
  556   3HD2  LEU  66          3HD2      LEU  66   3.097   3.740   0.321
  557    H    GLU  67           H        GLU  67  -1.045   4.187  -2.931
  558    HA   GLU  67           HA       GLU  67  -2.273   1.815  -2.102
  559   1HB   GLU  67          2HB       GLU  67  -3.039   4.169  -1.653
  560   2HB   GLU  67          1HB       GLU  67  -3.651   4.216  -3.298
  561   1HG   GLU  67          2HG       GLU  67  -5.183   2.411  -2.815
  562   2HG   GLU  67          1HG       GLU  67  -4.540   2.278  -1.178
  563    H    GLN  68           H        GLN  68  -2.517   3.518  -5.219
  564    HA   GLN  68           HA       GLN  68  -4.209   1.803  -6.580
  565   1HB   GLN  68          2HB       GLN  68  -1.855   3.410  -7.573
  566   2HB   GLN  68          1HB       GLN  68  -2.927   2.529  -8.648
  567   1HG   GLN  68          2HG       GLN  68  -4.776   3.892  -8.062
  568   2HG   GLN  68          1HG       GLN  68  -3.871   4.649  -6.744
  569   1HE2  GLN  68          1HE2      GLN  68  -2.232   6.111  -7.232
  570   2HE2  GLN  68          2HE2      GLN  68  -2.099   6.870  -8.787
  571    H    GLU  69           H        GLU  69  -0.660   1.742  -6.623
  572    HA   GLU  69           HA       GLU  69  -0.469  -0.535  -8.259
  573   1HB   GLU  69          2HB       GLU  69   1.588   0.557  -6.336
  574   2HB   GLU  69          1HB       GLU  69   1.897  -0.511  -7.698
  575   1HG   GLU  69          2HG       GLU  69   1.132   1.246  -9.232
  576   2HG   GLU  69          1HG       GLU  69   0.868   2.314  -7.856
  577    H    MET  70           H        MET  70  -0.381  -0.150  -4.742
  578    HA   MET  70           HA       MET  70   0.429  -2.775  -4.134
  579   1HB   MET  70          2HB       MET  70   0.495  -0.920  -2.511
  580   2HB   MET  70          1HB       MET  70  -1.261  -0.912  -2.460
  581   1HG   MET  70          2HG       MET  70  -1.284  -3.134  -1.515
  582   2HG   MET  70          1HG       MET  70   0.470  -3.239  -1.653
  583   1HE   MET  70          1HE       MET  70   0.635  -3.934   0.901
  584   2HE   MET  70          2HE       MET  70  -1.119  -3.824   1.059
  585   3HE   MET  70          3HE       MET  70  -0.075  -3.001   2.217
  586    H    VAL  71           H        VAL  71  -2.834  -1.349  -4.265
  587    HA   VAL  71           HA       VAL  71  -4.173  -3.761  -3.620
  588    HB   VAL  71           HB       VAL  71  -5.243  -1.372  -5.140
  589   1HG1  VAL  71          1HG1      VAL  71  -6.731  -3.544  -3.667
  590   2HG1  VAL  71          2HG1      VAL  71  -6.610  -3.400  -5.421
  591   3HG1  VAL  71          3HG1      VAL  71  -7.447  -2.158  -4.489
  592   1HG2  VAL  71          1HG2      VAL  71  -5.320  -2.031  -2.197
  593   2HG2  VAL  71          2HG2      VAL  71  -6.170  -0.688  -2.963
  594   3HG2  VAL  71          3HG2      VAL  71  -4.405  -0.728  -2.955
  595    H    SER  72           H        SER  72  -3.217  -2.285  -6.689
  596    HA   SER  72           HA       SER  72  -4.695  -4.050  -8.333
  597   1HB   SER  72          2HB       SER  72  -3.816  -1.838  -9.070
  598   2HB   SER  72          1HB       SER  72  -2.189  -2.516  -9.053
  599    HG   SER  72           HG       SER  72  -2.583  -3.526 -10.865
  600    H    PHE  73           H        PHE  73  -1.451  -4.211  -6.977
  601    HA   PHE  73           HA       PHE  73  -0.708  -6.463  -8.613
  602   1HB   PHE  73          2HB       PHE  73   0.916  -4.747  -7.796
  603   2HB   PHE  73          1HB       PHE  73   0.683  -5.366  -6.165
  604    HD1  PHE  73           1HD      PHE  73   2.005  -6.143  -9.508
  605    HD2  PHE  73           2HD      PHE  73   1.743  -7.374  -5.443
  606    HE1  PHE  73           1HE      PHE  73   3.782  -7.797  -9.899
  607    HE2  PHE  73           2HE      PHE  73   3.521  -9.034  -5.826
  608    HZ   PHE  73           HZ       PHE  73   4.543  -9.244  -8.059
  609    H    LEU  74           H        LEU  74  -1.571  -5.956  -5.203
  610    HA   LEU  74           HA       LEU  74  -1.184  -8.752  -4.598
  611   1HB   LEU  74          2HB       LEU  74  -2.193  -6.462  -2.921
  612   2HB   LEU  74          1HB       LEU  74  -1.936  -8.087  -2.320
  613    HG   LEU  74           HG       LEU  74   0.214  -6.280  -3.431
  614   1HD1  LEU  74          1HD1      LEU  74  -0.402  -7.113  -0.600
  615   2HD1  LEU  74          2HD1      LEU  74  -0.637  -5.504  -1.285
  616   3HD1  LEU  74          3HD1      LEU  74   0.991  -6.162  -1.116
  617   1HD2  LEU  74          1HD2      LEU  74   1.760  -7.981  -2.569
  618   2HD2  LEU  74          2HD2      LEU  74   0.714  -8.628  -3.831
  619   3HD2  LEU  74          3HD2      LEU  74   0.387  -9.002  -2.139
  620    H    PHE  75           H        PHE  75  -3.975  -6.530  -4.587
  621    HA   PHE  75           HA       PHE  75  -5.760  -8.761  -4.042
  622   1HB   PHE  75          2HB       PHE  75  -5.984  -6.505  -2.930
  623   2HB   PHE  75          1HB       PHE  75  -6.486  -5.860  -4.488
  624    HD1  PHE  75           1HD      PHE  75  -8.703  -6.095  -5.237
  625    HD2  PHE  75           2HD      PHE  75  -7.370  -8.277  -1.837
  626    HE1  PHE  75           1HE      PHE  75 -11.025  -6.741  -4.744
  627    HE2  PHE  75           2HE      PHE  75  -9.688  -8.928  -1.337
  628    HZ   PHE  75           HZ       PHE  75 -11.522  -8.159  -2.793
  629    H    GLU  76           H        GLU  76  -4.791  -6.709  -6.647
  630    HA   GLU  76           HA       GLU  76  -4.973  -6.903  -8.890
  631   1HB   GLU  76          2HB       GLU  76  -6.588  -9.406  -8.389
  632   2HB   GLU  76          1HB       GLU  76  -5.911  -8.898  -9.929
  633   1HG   GLU  76          2HG       GLU  76  -3.644  -9.049  -8.894
  634   2HG   GLU  76          1HG       GLU  76  -4.405  -9.755  -7.470
  635    H    GLY  77           H        GLY  77  -8.087  -7.839  -7.416
  636   1HA   GLY  77          2HA       GLY  77  -9.574  -6.592  -9.547
  637   2HA   GLY  77          1HA       GLY  77 -10.240  -7.351  -8.112
  638    H    LYS  78           H        LYS  78  -8.422  -4.465  -9.087
  639    HA   LYS  78           HA       LYS  78  -9.698  -2.942  -6.955
  640   1HB   LYS  78          2HB       LYS  78  -8.214  -1.069  -8.024
  641   2HB   LYS  78          1HB       LYS  78  -7.490  -2.302  -7.008
  642   1HG   LYS  78          2HG       LYS  78  -6.094  -1.944  -8.912
  643   2HG   LYS  78          1HG       LYS  78  -6.829  -3.538  -9.053
  644   1HD   LYS  78          2HD       LYS  78  -8.425  -2.699 -10.661
  645   2HD   LYS  78          1HD       LYS  78  -7.829  -1.054 -10.437
  646   1HE   LYS  78          2HE       LYS  78  -6.963  -2.077 -12.492
  647   2HE   LYS  78          1HE       LYS  78  -5.679  -1.674 -11.358
  648   1HZ   LYS  78          1HZ       LYS  78  -6.845  -4.390 -11.565
  649   2HZ   LYS  78          2HZ       LYS  78  -5.421  -3.932 -10.775
  650   3HZ   LYS  78          3HZ       LYS  78  -5.501  -3.896 -12.462
  651    H    ASP  79           H        ASP  79 -10.433  -0.658  -7.591
  652    HA   ASP  79           HA       ASP  79 -12.081  -0.878 -10.024
  653   1HB   ASP  79          2HB       ASP  79 -13.261  -0.816  -7.777
  654   2HB   ASP  79          1HB       ASP  79 -12.680   0.838  -7.609
  655    H    VAL  80           H        VAL  80  -9.439   0.609  -8.765
  656    HA   VAL  80           HA       VAL  80  -9.923   3.196 -10.039
  657    HB   VAL  80           HB       VAL  80  -7.634   2.317  -8.267
  658   1HG1  VAL  80          1HG1      VAL  80  -7.045   4.699  -8.177
  659   2HG1  VAL  80          2HG1      VAL  80  -8.316   5.053  -9.347
  660   3HG1  VAL  80          3HG1      VAL  80  -6.935   4.062  -9.818
  661   1HG2  VAL  80          1HG2      VAL  80  -8.668   3.770  -6.582
  662   2HG2  VAL  80          2HG2      VAL  80  -9.738   2.451  -7.055
  663   3HG2  VAL  80          3HG2      VAL  80 -10.014   4.075  -7.680
  664    H    HIS  81           H        HIS  81  -8.983   3.798 -11.863
  665    HA   HIS  81           HA       HIS  81  -7.538   2.114 -13.569
  666   1HB   HIS  81          2HB       HIS  81  -8.154   5.013 -13.436
  667   2HB   HIS  81          1HB       HIS  81  -6.790   4.550 -14.439
  668    HD1  HIS  81           1HD      HIS  81  -8.207   5.471 -16.429
  669    HD2  HIS  81           2HD      HIS  81  -9.738   2.061 -14.598
  670    HE1  HIS  81           1HE      HIS  81  -9.914   4.547 -18.033
  671    HE2  HIS  81           2HE      HIS  81 -10.709   2.400 -16.978
  672    H    ILE  82           H        ILE  82  -5.428   1.520 -13.563
  673    HA   ILE  82           HA       ILE  82  -3.597   2.938 -11.821
  674    HB   ILE  82           HB       ILE  82  -3.014   0.600 -13.648
  675   1HG1  ILE  82          2HG1      ILE  82  -4.688   0.008 -11.966
  676   2HG1  ILE  82          1HG1      ILE  82  -3.150  -0.765 -11.600
  677   1HG2  ILE  82          1HG2      ILE  82  -1.006   0.313 -12.280
  678   2HG2  ILE  82          2HG2      ILE  82  -1.438   1.738 -11.336
  679   3HG2  ILE  82          3HG2      ILE  82  -1.029   1.905 -13.043
  680   1HD1  ILE  82          1HD1      ILE  82  -4.242   0.098  -9.599
  681   2HD1  ILE  82          2HD1      ILE  82  -4.204   1.725 -10.281
  682   3HD1  ILE  82          3HD1      ILE  82  -2.697   0.893  -9.895
  683    H    GLU  83           H        GLU  83  -3.618   4.919 -12.849
  684    HA   GLU  83           HA       GLU  83  -1.971   5.023 -15.294
  685   1HB   GLU  83          2HB       GLU  83  -4.109   6.964 -14.367
  686   2HB   GLU  83          1HB       GLU  83  -3.079   7.196 -15.774
  687   1HG   GLU  83          2HG       GLU  83  -4.049   5.284 -16.865
  688   2HG   GLU  83          1HG       GLU  83  -4.984   4.890 -15.426
  689    H    GLY  84           H        GLY  84  -1.813   5.211 -12.147
  690   1HA   GLY  84          2HA       GLY  84  -0.239   6.082 -10.719
  691   2HA   GLY  84          1HA       GLY  84   0.477   6.917 -12.091
  692    H    TYR  85           H        TYR  85  -0.406   8.904 -12.754
  693    HA   TYR  85           HA       TYR  85  -1.662  10.349 -10.529
  694   1HB   TYR  85          2HB       TYR  85  -0.018  11.385 -12.851
  695   2HB   TYR  85          1HB       TYR  85  -0.679  12.374 -11.551
  696    HD1  TYR  85           1HD      TYR  85   1.952  10.062 -12.529
  697    HD2  TYR  85           2HD      TYR  85   0.228  12.164  -9.259
  698    HE1  TYR  85           1HE      TYR  85   3.963   9.611 -11.186
  699    HE2  TYR  85           2HE      TYR  85   2.234  11.723  -7.909
  700    HH   TYR  85           HH       TYR  85   5.131  10.592  -9.211
  701    H    THR  86           H        THR  86  -3.443  11.670 -10.932
  702    HA   THR  86           HA       THR  86  -4.882  10.895 -13.369
  703    HB   THR  86           HB       THR  86  -6.028  11.861 -10.745
  704    HG1  THR  86           1HG      THR  86  -6.090   9.205 -11.778
  705   1HG2  THR  86          1HG2      THR  86  -8.150  10.980 -11.656
  706   2HG2  THR  86          2HG2      THR  86  -7.334  10.637 -13.182
  707   3HG2  THR  86          3HG2      THR  86  -7.508  12.303 -12.628
  708    HA   PRO  87           HA       PRO  87  -4.373  15.254 -14.325
  709   1HB   PRO  87          2HB       PRO  87  -4.997  15.069 -16.934
  710   2HB   PRO  87          1HB       PRO  87  -3.443  14.513 -16.301
  711   1HG   PRO  87          2HG       PRO  87  -5.868  12.932 -17.039
  712   2HG   PRO  87          1HG       PRO  87  -4.158  12.553 -17.310
  713   1HD   PRO  87          2HD       PRO  87  -5.682  11.504 -15.269
  714   2HD   PRO  87          1HD       PRO  87  -3.913  11.638 -15.232
  715    H    GLU  88           H        GLU  88  -7.162  13.368 -14.231
  716    HA   GLU  88           HA       GLU  88  -8.914  15.561 -15.021
  717   1HB   GLU  88          2HB       GLU  88  -9.383  13.225 -15.796
  718   2HB   GLU  88          1HB       GLU  88  -9.667  12.773 -14.122
  719   1HG   GLU  88          2HG       GLU  88 -11.576  14.169 -13.979
  720   2HG   GLU  88          1HG       GLU  88 -11.218  14.924 -15.529
  721    H    ASP  89           H        ASP  89 -10.190  16.674 -13.621
  722    HA   ASP  89           HA       ASP  89  -9.246  16.880 -10.957
  723   1HB   ASP  89          2HB       ASP  89 -10.867  18.650 -10.689
  724   2HB   ASP  89          1HB       ASP  89 -10.132  18.796 -12.278
  725    H    LYS  90           H        LYS  90 -12.254  15.613 -12.344
  726    HA   LYS  90           HA       LYS  90 -13.232  14.843  -9.731
  727   1HB   LYS  90          2HB       LYS  90 -14.630  15.648 -11.743
  728   2HB   LYS  90          1HB       LYS  90 -14.413  14.027 -12.377
  729   1HG   LYS  90          2HG       LYS  90 -15.599  14.554  -9.668
  730   2HG   LYS  90          1HG       LYS  90 -16.565  14.498 -11.140
  731   1HD   LYS  90          2HD       LYS  90 -15.715  12.204 -11.552
  732   2HD   LYS  90          1HD       LYS  90 -14.877  12.272 -10.000
  733   1HE   LYS  90          2HE       LYS  90 -16.990  11.098  -9.771
  734   2HE   LYS  90          1HE       LYS  90 -17.030  12.613  -8.869
  735   1HZ   LYS  90          1HZ       LYS  90 -18.235  13.617 -10.722
  736   2HZ   LYS  90          2HZ       LYS  90 -19.074  12.298 -10.084
  737   3HZ   LYS  90          3HZ       LYS  90 -18.234  12.138 -11.543
  738    H    LYS  91           H        LYS  91 -12.608  13.058  -8.757
  739    HA   LYS  91           HA       LYS  91 -11.658  10.800 -10.393
  740   1HB   LYS  91          2HB       LYS  91 -10.843  11.492  -7.561
  741   2HB   LYS  91          1HB       LYS  91 -10.162  10.221  -8.567
  742   1HG   LYS  91          2HG       LYS  91  -9.149  11.798 -10.023
  743   2HG   LYS  91          1HG       LYS  91 -10.026  13.138  -9.283
  744   1HD   LYS  91          2HD       LYS  91  -8.829  12.703  -7.164
  745   2HD   LYS  91          1HD       LYS  91  -7.905  11.437  -7.976
  746   1HE   LYS  91          2HE       LYS  91  -6.651  13.534  -7.850
  747   2HE   LYS  91          1HE       LYS  91  -6.983  13.069  -9.515
  748   1HZ   LYS  91          1HZ       LYS  91  -8.735  14.674  -9.629
  749   2HZ   LYS  91          2HZ       LYS  91  -7.342  15.447  -9.067
  750   3HZ   LYS  91          3HZ       LYS  91  -8.576  15.051  -7.986
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  -0.564 -24.214  14.677
    2   2H    MET   1          2HT       MET   1   0.371 -24.014  13.288
    3   3H    MET   1          3HT       MET   1  -1.315 -23.933  13.190
    4    HA   MET   1           HA       MET   1  -1.333 -21.954  14.557
    5   1HB   MET   1          2HB       MET   1   0.701 -20.848  15.199
    6   2HB   MET   1          1HB       MET   1   0.800 -22.508  15.759
    7   1HG   MET   1          2HG       MET   1   2.095 -21.465  13.250
    8   2HG   MET   1          1HG       MET   1   2.907 -21.654  14.800
    9   1HE   MET   1          1HE       MET   1   2.999 -25.501  15.292
   10   2HE   MET   1          2HE       MET   1   1.831 -24.358  15.951
   11   3HE   MET   1          3HE       MET   1   3.541 -23.933  15.892
   12    H    SER   2           H        SER   2  -0.657 -23.149  11.658
   13    HA   SER   2           HA       SER   2   0.093 -20.619  10.396
   14   1HB   SER   2          2HB       SER   2  -0.190 -23.353   9.128
   15   2HB   SER   2          1HB       SER   2   0.592 -21.932   8.434
   16    HG   SER   2           HG       SER   2   2.097 -22.063  10.216
   17    H    ARG   3           H        ARG   3  -1.122 -19.864   8.537
   18    HA   ARG   3           HA       ARG   3  -3.927 -20.768   8.568
   19   1HB   ARG   3          2HB       ARG   3  -3.704 -18.565   9.659
   20   2HB   ARG   3          1HB       ARG   3  -2.937 -17.930   8.210
   21   1HG   ARG   3          2HG       ARG   3  -4.956 -18.205   6.949
   22   2HG   ARG   3          1HG       ARG   3  -5.734 -19.042   8.294
   23   1HD   ARG   3          2HD       ARG   3  -6.512 -16.761   8.194
   24   2HD   ARG   3          1HD       ARG   3  -5.541 -16.992   9.643
   25    HE   ARG   3           HE       ARG   3  -3.843 -16.030   7.660
   26   1HH1  ARG   3          1HH1      ARG   3  -6.669 -14.959   9.403
   27   2HH1  ARG   3          2HH1      ARG   3  -6.229 -13.285   9.371
   28   1HH2  ARG   3          1HH2      ARG   3  -3.261 -13.796   7.572
   29   2HH2  ARG   3          2HH2      ARG   3  -4.308 -12.626   8.319
   30    H    THR   4           H        THR   4  -3.746 -22.077   6.805
   31    HA   THR   4           HA       THR   4  -2.412 -21.183   4.417
   32    HB   THR   4           HB       THR   4  -4.083 -23.659   4.884
   33    HG1  THR   4           1HG      THR   4  -1.496 -22.951   5.565
   34   1HG2  THR   4          1HG2      THR   4  -2.905 -24.548   2.929
   35   2HG2  THR   4          2HG2      THR   4  -2.084 -23.001   2.718
   36   3HG2  THR   4          3HG2      THR   4  -3.833 -23.107   2.512
   37    H    ILE   5           H        ILE   5  -3.309 -19.923   2.970
   38    HA   ILE   5           HA       ILE   5  -6.218 -20.058   2.558
   39    HB   ILE   5           HB       ILE   5  -6.082 -17.570   2.047
   40   1HG1  ILE   5          2HG1      ILE   5  -4.220 -16.439   3.445
   41   2HG1  ILE   5          1HG1      ILE   5  -3.387 -17.985   3.342
   42   1HG2  ILE   5          1HG2      ILE   5  -7.141 -18.460   4.053
   43   2HG2  ILE   5          2HG2      ILE   5  -6.321 -16.936   4.392
   44   3HG2  ILE   5          3HG2      ILE   5  -5.583 -18.461   4.883
   45   1HD1  ILE   5          1HD1      ILE   5  -2.597 -16.399   1.672
   46   2HD1  ILE   5          2HD1      ILE   5  -4.223 -16.288   1.002
   47   3HD1  ILE   5          3HD1      ILE   5  -3.342 -17.811   0.921
   48    H    PHE   6           H        PHE   6  -6.793 -18.894   0.413
   49    HA   PHE   6           HA       PHE   6  -4.876 -19.763  -1.626
   50   1HB   PHE   6          2HB       PHE   6  -7.786 -18.966  -1.865
   51   2HB   PHE   6          1HB       PHE   6  -6.765 -19.442  -3.218
   52    HD1  PHE   6           1HD      PHE   6  -5.894 -21.763  -3.340
   53    HD2  PHE   6           2HD      PHE   6  -8.770 -20.578  -0.436
   54    HE1  PHE   6           1HE      PHE   6  -6.453 -24.124  -2.936
   55    HE2  PHE   6           2HE      PHE   6  -9.336 -22.937  -0.029
   56    HZ   PHE   6           HZ       PHE   6  -8.175 -24.710  -1.279
   57    H    CYS   7           H        CYS   7  -3.424 -18.234  -1.982
   58    HA   CYS   7           HA       CYS   7  -3.955 -15.460  -1.589
   59   1HB   CYS   7          2HB       CYS   7  -1.723 -16.418  -1.205
   60   2HB   CYS   7          1HB       CYS   7  -1.600 -16.825  -2.913
   61    HG   CYS   7           HG       CYS   7  -2.163 -13.581  -2.162
   62    H    THR   8           H        THR   8  -4.348 -13.866  -3.067
   63    HA   THR   8           HA       THR   8  -5.659 -14.550  -5.455
   64    HB   THR   8           HB       THR   8  -5.294 -12.008  -5.929
   65    HG1  THR   8           1HG      THR   8  -4.066 -11.049  -4.508
   66   1HG2  THR   8          1HG2      THR   8  -7.405 -12.962  -5.166
   67   2HG2  THR   8          2HG2      THR   8  -7.078 -11.442  -4.331
   68   3HG2  THR   8          3HG2      THR   8  -6.813 -12.977  -3.505
   69    H    TYR   9           H        TYR   9  -2.356 -13.421  -4.862
   70    HA   TYR   9           HA       TYR   9  -1.761 -13.008  -7.610
   71   1HB   TYR   9          2HB       TYR   9  -0.558 -11.849  -5.785
   72   2HB   TYR   9          1HB       TYR   9   0.163 -13.382  -5.306
   73    HD1  TYR   9           1HD      TYR   9   2.160 -14.116  -6.310
   74    HD2  TYR   9           2HD      TYR   9  -0.063 -10.982  -8.133
   75    HE1  TYR   9           1HE      TYR   9   4.003 -13.737  -7.892
   76    HE2  TYR   9           2HE      TYR   9   1.773 -10.593  -9.722
   77    HH   TYR   9           HH       TYR   9   4.282 -12.773 -10.193
   78    H    LEU  10           H        LEU  10  -1.628 -15.792  -5.529
   79    HA   LEU  10           HA       LEU  10  -0.066 -17.258  -7.532
   80   1HB   LEU  10          2HB       LEU  10  -0.775 -17.898  -4.676
   81   2HB   LEU  10          1HB       LEU  10  -0.082 -19.087  -5.758
   82    HG   LEU  10           HG       LEU  10   1.866 -17.454  -6.053
   83   1HD1  LEU  10          1HD1      LEU  10   0.684 -16.277  -3.547
   84   2HD1  LEU  10          2HD1      LEU  10   0.764 -15.480  -5.118
   85   3HD1  LEU  10          3HD1      LEU  10   2.250 -15.878  -4.255
   86   1HD2  LEU  10          1HD2      LEU  10   2.953 -18.238  -4.023
   87   2HD2  LEU  10          2HD2      LEU  10   2.015 -19.525  -4.783
   88   3HD2  LEU  10          3HD2      LEU  10   1.387 -18.701  -3.356
   89    H    GLN  11           H        GLN  11  -3.232 -16.962  -6.214
   90    HA   GLN  11           HA       GLN  11  -5.229 -17.920  -6.665
   91   1HB   GLN  11          2HB       GLN  11  -3.730 -19.012  -9.046
   92   2HB   GLN  11          1HB       GLN  11  -5.442 -19.306  -8.776
   93   1HG   GLN  11          2HG       GLN  11  -4.178 -16.588  -9.092
   94   2HG   GLN  11          1HG       GLN  11  -5.024 -17.475 -10.361
   95   1HE2  GLN  11          1HE2      GLN  11  -5.343 -15.562  -7.508
   96   2HE2  GLN  11          2HE2      GLN  11  -7.069 -15.417  -7.540
   97    H    ARG  12           H        ARG  12  -2.813 -19.383  -5.348
   98    HA   ARG  12           HA       ARG  12  -4.157 -21.978  -5.066
   99   1HB   ARG  12          2HB       ARG  12  -1.169 -21.558  -5.286
  100   2HB   ARG  12          1HB       ARG  12  -1.979 -23.097  -5.026
  101   1HG   ARG  12          2HG       ARG  12  -2.957 -23.032  -7.202
  102   2HG   ARG  12          1HG       ARG  12  -2.390 -21.382  -7.461
  103   1HD   ARG  12          2HD       ARG  12  -0.073 -22.179  -7.349
  104   2HD   ARG  12          1HD       ARG  12  -0.657 -23.828  -7.133
  105    HE   ARG  12           HE       ARG  12  -1.733 -23.524  -9.385
  106   1HH1  ARG  12          1HH1      ARG  12   1.161 -21.780  -8.470
  107   2HH1  ARG  12          2HH1      ARG  12   1.669 -21.514 -10.105
  108   1HH2  ARG  12          1HH2      ARG  12  -1.035 -23.217 -11.540
  109   2HH2  ARG  12          2HH2      ARG  12   0.428 -22.339 -11.849
  110    H    ASP  13           H        ASP  13  -2.738 -23.142  -3.134
  111    HA   ASP  13           HA       ASP  13  -3.445 -21.509  -0.882
  112   1HB   ASP  13          2HB       ASP  13  -2.943 -23.473   0.475
  113   2HB   ASP  13          1HB       ASP  13  -3.975 -23.898  -0.884
  114    H    ALA  14           H        ALA  14  -2.212 -20.492   0.491
  115    HA   ALA  14           HA       ALA  14   0.655 -20.904   0.640
  116   1HB   ALA  14          1HB       ALA  14   0.444 -19.334  -1.228
  117   2HB   ALA  14          2HB       ALA  14   1.197 -18.569   0.170
  118   3HB   ALA  14          3HB       ALA  14  -0.494 -18.241  -0.205
  119    H    GLU  15           H        GLU  15   1.490 -19.017   2.234
  120    HA   GLU  15           HA       GLU  15  -0.057 -19.374   4.637
  121   1HB   GLU  15          2HB       GLU  15   2.437 -19.488   4.594
  122   2HB   GLU  15          1HB       GLU  15   2.472 -17.774   4.203
  123   1HG   GLU  15          2HG       GLU  15   2.902 -18.096   6.547
  124   2HG   GLU  15          1HG       GLU  15   1.352 -17.285   6.327
  125    H    GLY  16           H        GLY  16  -1.397 -17.931   5.538
  126   1HA   GLY  16          2HA       GLY  16  -2.145 -15.656   3.926
  127   2HA   GLY  16          1HA       GLY  16  -2.960 -16.227   5.372
  128    H    GLN  17           H        GLN  17   0.402 -15.254   4.960
  129    HA   GLN  17           HA       GLN  17   1.697 -13.764   6.106
  130   1HB   GLN  17          2HB       GLN  17  -0.182 -12.496   4.469
  131   2HB   GLN  17          1HB       GLN  17  -0.173 -11.559   5.954
  132   1HG   GLN  17          2HG       GLN  17   2.235 -12.209   4.273
  133   2HG   GLN  17          1HG       GLN  17   1.375 -10.674   4.292
  134   1HE2  GLN  17          1HE2      GLN  17   0.974 -10.910   7.232
  135   2HE2  GLN  17          2HE2      GLN  17   2.500 -10.470   7.918
  136    H    ASP  18           H        ASP  18   1.005 -15.076   8.136
  137    HA   ASP  18           HA       ASP  18  -0.737 -13.847   9.994
  138   1HB   ASP  18          2HB       ASP  18   0.337 -15.318  11.671
  139   2HB   ASP  18          1HB       ASP  18  -0.164 -16.193  10.231
  140    H    PHE  19           H        PHE  19  -0.472 -12.016  11.055
  141    HA   PHE  19           HA       PHE  19   1.856 -11.307  12.455
  142   1HB   PHE  19          2HB       PHE  19   1.887 -10.538   9.699
  143   2HB   PHE  19          1HB       PHE  19   1.725  -9.086  10.682
  144    HD1  PHE  19           1HD      PHE  19   3.331  -9.205  12.874
  145    HD2  PHE  19           2HD      PHE  19   4.024 -11.101   9.131
  146    HE1  PHE  19           1HE      PHE  19   5.740  -9.258  13.352
  147    HE2  PHE  19           2HE      PHE  19   6.435 -11.157   9.601
  148    HZ   PHE  19           HZ       PHE  19   7.299 -10.238  11.714
  149    H    GLN  20           H        GLN  20  -0.440  -9.312  10.598
  150    HA   GLN  20           HA       GLN  20  -1.811  -7.614  11.198
  151   1HB   GLN  20          2HB       GLN  20  -2.071  -9.414  13.577
  152   2HB   GLN  20          1HB       GLN  20  -2.815  -7.823  13.607
  153   1HG   GLN  20          2HG       GLN  20  -3.318  -9.780  11.388
  154   2HG   GLN  20          1HG       GLN  20  -4.268  -9.769  12.873
  155   1HE2  GLN  20          1HE2      GLN  20  -3.492  -8.033   9.953
  156   2HE2  GLN  20          2HE2      GLN  20  -4.792  -6.904  10.044
  157    H    LEU  21           H        LEU  21  -0.194  -6.087  11.066
  158    HA   LEU  21           HA       LEU  21   1.430  -5.551  13.428
  159   1HB   LEU  21          2HB       LEU  21   1.612  -4.261  10.704
  160   2HB   LEU  21          1HB       LEU  21   2.786  -4.147  11.997
  161    HG   LEU  21           HG       LEU  21   2.959  -6.742  11.705
  162   1HD1  LEU  21          1HD1      LEU  21   2.607  -7.471   9.402
  163   2HD1  LEU  21          2HD1      LEU  21   1.896  -5.904   9.012
  164   3HD1  LEU  21          3HD1      LEU  21   1.094  -6.975  10.160
  165   1HD2  LEU  21          1HD2      LEU  21   4.116  -4.816   9.696
  166   2HD2  LEU  21          2HD2      LEU  21   4.737  -6.424  10.067
  167   3HD2  LEU  21          3HD2      LEU  21   4.767  -5.161  11.297
  168    H    TYR  22           H        TYR  22   0.032  -3.358  11.013
  169    HA   TYR  22           HA       TYR  22  -0.823  -1.629  13.227
  170   1HB   TYR  22          2HB       TYR  22  -0.206  -0.678  10.429
  171   2HB   TYR  22          1HB       TYR  22  -0.433   0.292  11.872
  172    HD1  TYR  22           1HD      TYR  22   1.929  -1.262   9.752
  173    HD2  TYR  22           2HD      TYR  22   1.300  -0.052  13.782
  174    HE1  TYR  22           1HE      TYR  22   4.355  -1.287  10.130
  175    HE2  TYR  22           2HE      TYR  22   3.728  -0.073  14.172
  176    HH   TYR  22           HH       TYR  22   5.972  -0.153  11.709
  177    HA   PRO  23           HA       PRO  23  -4.406  -1.377  10.076
  178   1HB   PRO  23          2HB       PRO  23  -4.074  -3.319   7.968
  179   2HB   PRO  23          1HB       PRO  23  -4.163  -1.564   7.838
  180   1HG   PRO  23          2HG       PRO  23  -1.904  -3.019   7.314
  181   2HG   PRO  23          1HG       PRO  23  -1.894  -1.322   7.827
  182   1HD   PRO  23          2HD       PRO  23  -1.421  -3.796   9.445
  183   2HD   PRO  23          1HD       PRO  23  -0.588  -2.231   9.509
  184    H    GLY  24           H        GLY  24  -6.224  -2.322  10.765
  185   1HA   GLY  24          2HA       GLY  24  -6.043  -5.047  11.798
  186   2HA   GLY  24          1HA       GLY  24  -7.314  -3.885  12.145
  187    H    GLU  25           H        GLU  25  -9.029  -3.631  10.691
  188    HA   GLU  25           HA       GLU  25  -9.909  -5.992   9.472
  189   1HB   GLU  25          2HB       GLU  25 -10.879  -3.157   9.077
  190   2HB   GLU  25          1HB       GLU  25 -11.732  -4.596   8.530
  191   1HG   GLU  25          2HG       GLU  25 -12.015  -5.345  10.803
  192   2HG   GLU  25          1HG       GLU  25 -11.054  -3.993  11.401
  193    H    LEU  26           H        LEU  26  -8.658  -3.003   8.009
  194    HA   LEU  26           HA       LEU  26  -8.766  -3.943   5.346
  195   1HB   LEU  26          2HB       LEU  26  -8.573  -1.571   5.881
  196   2HB   LEU  26          1HB       LEU  26  -6.999  -1.844   6.603
  197    HG   LEU  26           HG       LEU  26  -6.111  -2.489   4.391
  198   1HD1  LEU  26          1HD1      LEU  26  -8.166  -3.306   3.382
  199   2HD1  LEU  26          2HD1      LEU  26  -7.433  -2.051   2.384
  200   3HD1  LEU  26          3HD1      LEU  26  -8.832  -1.673   3.387
  201   1HD2  LEU  26          1HD2      LEU  26  -7.461   0.208   4.464
  202   2HD2  LEU  26          2HD2      LEU  26  -6.112  -0.244   3.423
  203   3HD2  LEU  26          3HD2      LEU  26  -5.895  -0.190   5.172
  204    H    GLY  27           H        GLY  27  -6.374  -4.178   7.886
  205   1HA   GLY  27          2HA       GLY  27  -4.183  -5.064   6.356
  206   2HA   GLY  27          1HA       GLY  27  -4.422  -5.370   8.072
  207    H    LYS  28           H        LYS  28  -6.536  -6.966   8.260
  208    HA   LYS  28           HA       LYS  28  -5.489  -9.428   7.271
  209   1HB   LYS  28          2HB       LYS  28  -7.443 -10.475   8.360
  210   2HB   LYS  28          1HB       LYS  28  -6.551  -9.407   9.430
  211   1HG   LYS  28          2HG       LYS  28  -8.237  -7.670   9.104
  212   2HG   LYS  28          1HG       LYS  28  -9.138  -8.752   8.039
  213   1HD   LYS  28          2HD       LYS  28  -9.501 -10.305   9.837
  214   2HD   LYS  28          1HD       LYS  28  -8.452  -9.376  10.907
  215   1HE   LYS  28          2HE       LYS  28 -10.032  -7.473  10.711
  216   2HE   LYS  28          1HE       LYS  28 -11.105  -8.507   9.767
  217   1HZ   LYS  28          1HZ       LYS  28 -11.769  -8.451  12.074
  218   2HZ   LYS  28          2HZ       LYS  28 -10.242  -8.975  12.567
  219   3HZ   LYS  28          3HZ       LYS  28 -11.240 -10.006  11.670
  220    H    ARG  29           H        ARG  29  -7.838  -7.181   6.114
  221    HA   ARG  29           HA       ARG  29  -9.257  -8.850   4.346
  222   1HB   ARG  29          2HB       ARG  29  -9.993  -6.575   4.862
  223   2HB   ARG  29          1HB       ARG  29  -8.553  -5.918   4.099
  224   1HG   ARG  29          2HG       ARG  29  -9.299  -6.818   1.941
  225   2HG   ARG  29          1HG       ARG  29 -10.763  -7.428   2.718
  226   1HD   ARG  29          2HD       ARG  29 -11.415  -5.170   3.315
  227   2HD   ARG  29          1HD       ARG  29  -9.920  -4.534   2.630
  228    HE   ARG  29           HE       ARG  29 -11.309  -6.001   0.661
  229   1HH1  ARG  29          1HH1      ARG  29 -11.523  -2.988   2.439
  230   2HH1  ARG  29          2HH1      ARG  29 -12.384  -2.165   1.176
  231   1HH2  ARG  29          1HH2      ARG  29 -12.448  -4.909  -1.000
  232   2HH2  ARG  29          2HH2      ARG  29 -12.902  -3.250  -0.774
  233    H    ILE  30           H        ILE  30  -6.132  -7.281   4.147
  234    HA   ILE  30           HA       ILE  30  -5.720  -8.115   1.400
  235    HB   ILE  30           HB       ILE  30  -3.791  -6.873   3.369
  236   1HG1  ILE  30          2HG1      ILE  30  -5.319  -5.623   1.071
  237   2HG1  ILE  30          1HG1      ILE  30  -5.726  -5.441   2.775
  238   1HG2  ILE  30          1HG2      ILE  30  -3.530  -7.259   0.387
  239   2HG2  ILE  30          2HG2      ILE  30  -2.637  -8.142   1.625
  240   3HG2  ILE  30          3HG2      ILE  30  -2.386  -6.408   1.426
  241   1HD1  ILE  30          1HD1      ILE  30  -3.201  -4.495   1.441
  242   2HD1  ILE  30          2HD1      ILE  30  -3.577  -4.335   3.158
  243   3HD1  ILE  30          3HD1      ILE  30  -4.558  -3.493   1.957
  244    H    TYR  31           H        TYR  31  -4.497  -8.978   4.625
  245    HA   TYR  31           HA       TYR  31  -2.563 -10.818   3.673
  246   1HB   TYR  31          2HB       TYR  31  -3.795 -10.596   6.424
  247   2HB   TYR  31          1HB       TYR  31  -2.370 -11.545   6.023
  248    HD1  TYR  31           1HD      TYR  31  -2.850  -9.103   7.981
  249    HD2  TYR  31           2HD      TYR  31  -1.076  -9.526   4.136
  250    HE1  TYR  31           1HE      TYR  31  -1.442  -7.138   8.419
  251    HE2  TYR  31           2HE      TYR  31   0.335  -7.559   4.565
  252    HH   TYR  31           HH       TYR  31   0.370  -5.589   5.965
  253    H    ASN  32           H        ASN  32  -5.963 -11.156   4.130
  254    HA   ASN  32           HA       ASN  32  -5.962 -13.930   4.753
  255   1HB   ASN  32          2HB       ASN  32  -8.365 -13.888   4.212
  256   2HB   ASN  32          1HB       ASN  32  -7.905 -12.590   5.303
  257   1HD2  ASN  32          1HD2      ASN  32  -9.733 -11.406   4.768
  258   2HD2  ASN  32          2HD2      ASN  32  -9.892 -10.592   3.253
  259    H    GLU  33           H        GLU  33  -5.413 -12.244   1.844
  260    HA   GLU  33           HA       GLU  33  -5.368 -14.818   0.446
  261   1HB   GLU  33          2HB       GLU  33  -6.570 -12.272  -0.650
  262   2HB   GLU  33          1HB       GLU  33  -6.208 -13.692  -1.625
  263   1HG   GLU  33          2HG       GLU  33  -7.721 -14.991  -0.091
  264   2HG   GLU  33          1HG       GLU  33  -8.201 -13.447   0.609
  265    H    ILE  34           H        ILE  34  -3.369 -12.932   1.678
  266    HA   ILE  34           HA       ILE  34  -1.645 -12.778  -0.689
  267    HB   ILE  34           HB       ILE  34  -2.031 -10.646   1.391
  268   1HG1  ILE  34          2HG1      ILE  34  -3.397 -10.520  -0.636
  269   2HG1  ILE  34          1HG1      ILE  34  -2.229  -9.200  -0.591
  270   1HG2  ILE  34          1HG2      ILE  34   0.368 -11.040   1.286
  271   2HG2  ILE  34          2HG2      ILE  34  -0.040  -9.504   0.524
  272   3HG2  ILE  34          3HG2      ILE  34   0.327 -10.911  -0.472
  273   1HD1  ILE  34          1HD1      ILE  34  -2.395 -10.126  -2.820
  274   2HD1  ILE  34          2HD1      ILE  34  -1.995 -11.729  -2.211
  275   3HD1  ILE  34          3HD1      ILE  34  -0.794 -10.438  -2.146
  276    H    SER  35           H        SER  35   0.123 -13.911  -0.491
  277    HA   SER  35           HA       SER  35   0.881 -15.037   2.040
  278   1HB   SER  35          2HB       SER  35   2.714 -16.091   0.661
  279   2HB   SER  35          1HB       SER  35   1.077 -16.465   0.123
  280    HG   SER  35           HG       SER  35   2.515 -15.889  -1.593
  281    H    LYS  36           H        LYS  36   3.082 -14.923   2.859
  282    HA   LYS  36           HA       LYS  36   4.044 -12.293   3.156
  283   1HB   LYS  36          2HB       LYS  36   5.494 -14.902   3.668
  284   2HB   LYS  36          1HB       LYS  36   5.976 -13.323   4.275
  285   1HG   LYS  36          2HG       LYS  36   3.874 -13.184   5.537
  286   2HG   LYS  36          1HG       LYS  36   3.446 -14.798   4.967
  287   1HD   LYS  36          2HD       LYS  36   5.415 -15.719   6.068
  288   2HD   LYS  36          1HD       LYS  36   5.878 -14.103   6.609
  289   1HE   LYS  36          2HE       LYS  36   3.821 -13.941   7.912
  290   2HE   LYS  36          1HE       LYS  36   3.330 -15.538   7.349
  291   1HZ   LYS  36          1HZ       LYS  36   5.667 -14.903   9.063
  292   2HZ   LYS  36          2HZ       LYS  36   5.325 -16.437   8.440
  293   3HZ   LYS  36          3HZ       LYS  36   4.256 -15.715   9.528
  294    H    ASP  37           H        ASP  37   4.780 -14.866   0.935
  295    HA   ASP  37           HA       ASP  37   7.160 -13.847  -0.170
  296   1HB   ASP  37          2HB       ASP  37   5.002 -15.510  -1.490
  297   2HB   ASP  37          1HB       ASP  37   6.628 -15.262  -2.118
  298    H    ALA  38           H        ALA  38   3.781 -13.557  -1.234
  299    HA   ALA  38           HA       ALA  38   4.296 -11.846  -3.408
  300   1HB   ALA  38          1HB       ALA  38   1.904 -11.404  -3.412
  301   2HB   ALA  38          2HB       ALA  38   1.757 -12.103  -1.799
  302   3HB   ALA  38          3HB       ALA  38   2.216 -13.121  -3.163
  303    H    TRP  39           H        TRP  39   3.384 -11.192  -0.047
  304    HA   TRP  39           HA       TRP  39   3.108  -8.408  -0.258
  305   1HB   TRP  39          2HB       TRP  39   2.299  -9.651   1.679
  306   2HB   TRP  39          1HB       TRP  39   3.946 -10.084   2.119
  307    HD1  TRP  39           HD       TRP  39   5.351  -8.314   3.473
  308    HE1  TRP  39           1HE      TRP  39   4.782  -6.041   4.544
  309    HE3  TRP  39           3HE      TRP  39   0.775  -7.524   1.321
  310    HZ2  TRP  39           2HZ      TRP  39   2.670  -4.168   4.490
  311    HZ3  TRP  39           3HZ      TRP  39  -0.453  -5.467   1.887
  312    HH2  TRP  39           HH       TRP  39   0.477  -3.825   3.442
  313    H    ALA  40           H        ALA  40   5.918 -10.334   0.798
  314    HA   ALA  40           HA       ALA  40   7.617  -8.141   1.252
  315   1HB   ALA  40          1HB       ALA  40   8.379 -10.975   0.555
  316   2HB   ALA  40          2HB       ALA  40   8.039 -10.369   2.177
  317   3HB   ALA  40          3HB       ALA  40   9.433  -9.763   1.282
  318    H    GLN  41           H        GLN  41   7.198 -10.216  -1.604
  319    HA   GLN  41           HA       GLN  41   9.280  -9.028  -3.088
  320   1HB   GLN  41          2HB       GLN  41   6.873 -10.625  -3.919
  321   2HB   GLN  41          1HB       GLN  41   8.036 -10.010  -5.086
  322   1HG   GLN  41          2HG       GLN  41   8.627 -11.889  -2.806
  323   2HG   GLN  41          1HG       GLN  41   8.517 -12.317  -4.513
  324   1HE2  GLN  41          1HE2      GLN  41   9.865  -9.884  -5.391
  325   2HE2  GLN  41          2HE2      GLN  41  11.539 -10.091  -5.016
  326    H    TRP  42           H        TRP  42   5.824  -8.266  -2.835
  327    HA   TRP  42           HA       TRP  42   5.838  -6.299  -4.860
  328   1HB   TRP  42          2HB       TRP  42   3.713  -7.096  -4.123
  329   2HB   TRP  42          1HB       TRP  42   4.053  -6.660  -2.450
  330    HD1  TRP  42           HD       TRP  42   2.496  -4.730  -1.842
  331    HE1  TRP  42           1HE      TRP  42   1.802  -2.502  -2.924
  332    HE3  TRP  42           3HE      TRP  42   4.906  -5.213  -6.327
  333    HZ2  TRP  42           2HZ      TRP  42   2.223  -1.134  -5.341
  334    HZ3  TRP  42           3HZ      TRP  42   4.708  -3.393  -7.968
  335    HH2  TRP  42           HH       TRP  42   3.395  -1.397  -7.488
  336    H    GLN  43           H        GLN  43   6.246  -6.016  -1.327
  337    HA   GLN  43           HA       GLN  43   6.590  -3.224  -1.287
  338   1HB   GLN  43          2HB       GLN  43   7.707  -5.319   0.584
  339   2HB   GLN  43          1HB       GLN  43   7.672  -3.592   0.912
  340   1HG   GLN  43          2HG       GLN  43   5.239  -5.307   0.456
  341   2HG   GLN  43          1HG       GLN  43   5.864  -4.834   2.032
  342   1HE2  GLN  43          1HE2      GLN  43   4.221  -3.777  -0.835
  343   2HE2  GLN  43          2HE2      GLN  43   3.702  -2.251  -0.217
  344    H    HIS  44           H        HIS  44   8.868  -5.873  -1.674
  345    HA   HIS  44           HA       HIS  44  11.239  -4.356  -1.680
  346   1HB   HIS  44          2HB       HIS  44  10.933  -6.904  -1.533
  347   2HB   HIS  44          1HB       HIS  44  10.815  -6.869  -3.291
  348    HD1  HIS  44           1HD      HIS  44  13.220  -6.717  -0.496
  349    HD2  HIS  44           2HD      HIS  44  13.260  -6.118  -4.613
  350    HE1  HIS  44           1HE      HIS  44  15.646  -6.712  -1.160
  351    HE2  HIS  44           2HE      HIS  44  15.649  -6.293  -3.641
  352    H    LYS  45           H        LYS  45   9.146  -5.470  -4.312
  353    HA   LYS  45           HA       LYS  45  10.592  -4.381  -6.453
  354   1HB   LYS  45          2HB       LYS  45   8.810  -6.060  -6.687
  355   2HB   LYS  45          1HB       LYS  45   7.621  -4.870  -6.189
  356   1HG   LYS  45          2HG       LYS  45   7.645  -5.269  -8.609
  357   2HG   LYS  45          1HG       LYS  45   7.989  -3.592  -8.189
  358   1HD   LYS  45          2HD       LYS  45  10.196  -3.745  -8.821
  359   2HD   LYS  45          1HD       LYS  45  10.258  -5.488  -8.563
  360   1HE   LYS  45          2HE       LYS  45  10.348  -4.894 -10.949
  361   2HE   LYS  45          1HE       LYS  45   8.934  -5.865 -10.552
  362   1HZ   LYS  45          1HZ       LYS  45   8.974  -2.927 -10.942
  363   2HZ   LYS  45          2HZ       LYS  45   7.611  -3.832 -10.521
  364   3HZ   LYS  45          3HZ       LYS  45   8.348  -4.064 -12.020
  365    H    GLN  46           H        GLN  46   7.933  -3.066  -4.528
  366    HA   GLN  46           HA       GLN  46   7.654  -0.620  -5.862
  367   1HB   GLN  46          2HB       GLN  46   6.025  -1.495  -4.240
  368   2HB   GLN  46          1HB       GLN  46   7.182  -1.250  -2.940
  369   1HG   GLN  46          2HG       GLN  46   5.519   0.509  -2.977
  370   2HG   GLN  46          1HG       GLN  46   7.122   1.154  -3.328
  371   1HE2  GLN  46          1HE2      GLN  46   7.574   1.918  -5.384
  372   2HE2  GLN  46          2HE2      GLN  46   6.336   2.242  -6.548
  373    H    THR  47           H        THR  47   9.785  -1.608  -3.234
  374    HA   THR  47           HA       THR  47  10.863   0.882  -2.574
  375    HB   THR  47           HB       THR  47  12.266  -1.803  -2.525
  376    HG1  THR  47           1HG      THR  47  10.270  -1.713  -1.310
  377   1HG2  THR  47          1HG2      THR  47  12.820   0.735  -0.979
  378   2HG2  THR  47          2HG2      THR  47  13.819   0.072  -2.273
  379   3HG2  THR  47          3HG2      THR  47  13.643  -0.809  -0.757
  380    H    MET  48           H        MET  48  11.889  -1.476  -5.038
  381    HA   MET  48           HA       MET  48  14.152  -0.056  -5.929
  382   1HB   MET  48          2HB       MET  48  13.776  -2.405  -6.505
  383   2HB   MET  48          1HB       MET  48  12.366  -1.957  -7.460
  384   1HG   MET  48          2HG       MET  48  13.828  -0.634  -8.938
  385   2HG   MET  48          1HG       MET  48  15.222  -1.181  -8.009
  386   1HE   MET  48          1HE       MET  48  16.362  -2.020 -10.254
  387   2HE   MET  48          2HE       MET  48  14.958  -1.472 -11.167
  388   3HE   MET  48          3HE       MET  48  15.577  -3.106 -11.398
  389    H    LEU  49           H        LEU  49  10.782  -0.032  -6.989
  390    HA   LEU  49           HA       LEU  49  11.100   1.686  -9.184
  391   1HB   LEU  49          2HB       LEU  49   8.831   0.753  -7.525
  392   2HB   LEU  49          1HB       LEU  49   8.566   2.204  -8.477
  393    HG   LEU  49           HG       LEU  49   9.083   0.995 -10.524
  394   1HD1  LEU  49          1HD1      LEU  49   9.508  -1.379 -10.548
  395   2HD1  LEU  49          2HD1      LEU  49   9.427  -1.443  -8.789
  396   3HD1  LEU  49          3HD1      LEU  49  10.737  -0.567  -9.580
  397   1HD2  LEU  49          1HD2      LEU  49   7.102  -0.465  -8.785
  398   2HD2  LEU  49          2HD2      LEU  49   7.169  -0.520 -10.546
  399   3HD2  LEU  49          3HD2      LEU  49   6.786   0.992  -9.725
  400    H    ILE  50           H        ILE  50  10.512   2.357  -5.778
  401    HA   ILE  50           HA       ILE  50  10.084   5.128  -5.973
  402    HB   ILE  50           HB       ILE  50  11.293   3.487  -3.746
  403   1HG1  ILE  50          2HG1      ILE  50   8.531   4.685  -4.059
  404   2HG1  ILE  50          1HG1      ILE  50   8.935   2.994  -4.342
  405   1HG2  ILE  50          1HG2      ILE  50  12.044   5.788  -3.535
  406   2HG2  ILE  50          2HG2      ILE  50  10.863   5.406  -2.284
  407   3HG2  ILE  50          3HG2      ILE  50  10.383   6.362  -3.684
  408   1HD1  ILE  50          1HD1      ILE  50   9.565   2.754  -1.998
  409   2HD1  ILE  50          2HD1      ILE  50   7.901   3.307  -2.170
  410   3HD1  ILE  50          3HD1      ILE  50   9.166   4.448  -1.715
  411    H    ASN  51           H        ASN  51  13.041   3.218  -5.674
  412    HA   ASN  51           HA       ASN  51  14.821   5.430  -5.503
  413   1HB   ASN  51          2HB       ASN  51  15.165   2.509  -6.125
  414   2HB   ASN  51          1HB       ASN  51  16.510   3.620  -6.335
  415   1HD2  ASN  51          1HD2      ASN  51  14.377   2.094  -4.051
  416   2HD2  ASN  51          2HD2      ASN  51  15.310   2.468  -2.643
  417    H    GLU  52           H        GLU  52  13.615   3.464  -8.164
  418    HA   GLU  52           HA       GLU  52  15.303   4.552 -10.151
  419   1HB   GLU  52          2HB       GLU  52  12.695   3.061 -10.272
  420   2HB   GLU  52          1HB       GLU  52  13.546   3.584 -11.718
  421   1HG   GLU  52          2HG       GLU  52  14.631   1.740  -9.599
  422   2HG   GLU  52          1HG       GLU  52  14.021   1.255 -11.181
  423    H    LYS  53           H        LYS  53  11.925   5.290  -9.274
  424    HA   LYS  53           HA       LYS  53  11.859   7.350 -11.323
  425   1HB   LYS  53          2HB       LYS  53   9.705   6.452  -9.407
  426   2HB   LYS  53          1HB       LYS  53   9.484   7.578 -10.739
  427   1HG   LYS  53          2HG       LYS  53  10.244   5.730 -12.274
  428   2HG   LYS  53          1HG       LYS  53  10.130   4.648 -10.885
  429   1HD   LYS  53          2HD       LYS  53   7.869   6.307 -12.010
  430   2HD   LYS  53          1HD       LYS  53   8.112   4.583 -12.291
  431   1HE   LYS  53          2HE       LYS  53   7.851   4.146  -9.908
  432   2HE   LYS  53          1HE       LYS  53   7.655   5.873  -9.604
  433   1HZ   LYS  53          1HZ       LYS  53   5.837   4.175 -11.232
  434   2HZ   LYS  53          2HZ       LYS  53   5.653   5.837 -10.978
  435   3HZ   LYS  53          3HZ       LYS  53   5.523   4.763  -9.679
  436    H    LYS  54           H        LYS  54  12.984   7.237  -8.271
  437    HA   LYS  54           HA       LYS  54  13.548   8.759  -6.701
  438   1HB   LYS  54          2HB       LYS  54  13.251  10.471  -9.135
  439   2HB   LYS  54          1HB       LYS  54  13.516  11.239  -7.578
  440   1HG   LYS  54          2HG       LYS  54  15.609  10.961  -8.751
  441   2HG   LYS  54          1HG       LYS  54  15.583   9.958  -7.302
  442   1HD   LYS  54          2HD       LYS  54  15.006   8.007  -8.687
  443   2HD   LYS  54          1HD       LYS  54  15.089   9.023 -10.128
  444   1HE   LYS  54          2HE       LYS  54  17.425   9.429  -9.774
  445   2HE   LYS  54          1HE       LYS  54  17.380   8.606  -8.217
  446   1HZ   LYS  54          1HZ       LYS  54  16.911   7.337 -10.861
  447   2HZ   LYS  54          2HZ       LYS  54  16.858   6.542  -9.367
  448   3HZ   LYS  54          3HZ       LYS  54  18.315   7.193  -9.928
  449    H    LEU  55           H        LEU  55  11.454   7.996  -5.773
  450    HA   LEU  55           HA       LEU  55   9.547  10.232  -5.548
  451   1HB   LEU  55          2HB       LEU  55   9.042   7.408  -4.638
  452   2HB   LEU  55          1HB       LEU  55   7.871   8.678  -4.915
  453    HG   LEU  55           HG       LEU  55   9.422   7.199  -7.035
  454   1HD1  LEU  55          1HD1      LEU  55   7.676   5.854  -6.013
  455   2HD1  LEU  55          2HD1      LEU  55   7.232   6.305  -7.657
  456   3HD1  LEU  55          3HD1      LEU  55   6.503   7.143  -6.288
  457   1HD2  LEU  55          1HD2      LEU  55   8.000   8.409  -8.630
  458   2HD2  LEU  55          2HD2      LEU  55   9.042   9.499  -7.715
  459   3HD2  LEU  55          3HD2      LEU  55   7.334   9.356  -7.300
  460    H    ASN  56           H        ASN  56   8.980  10.984  -3.491
  461    HA   ASN  56           HA       ASN  56  10.490   9.812  -1.252
  462   1HB   ASN  56          2HB       ASN  56  10.997  12.219  -1.719
  463   2HB   ASN  56          1HB       ASN  56   9.307  12.599  -1.395
  464   1HD2  ASN  56          1HD2      ASN  56   9.939  13.954   0.319
  465   2HD2  ASN  56          2HD2      ASN  56  10.465  13.313   1.834
  466    H    MET  57           H        MET  57   9.353   8.727   0.193
  467    HA   MET  57           HA       MET  57   6.525   8.487  -0.342
  468   1HB   MET  57          2HB       MET  57   8.518   6.697   0.347
  469   2HB   MET  57          1HB       MET  57   7.541   6.815   1.806
  470   1HG   MET  57          2HG       MET  57   6.812   5.011   0.308
  471   2HG   MET  57          1HG       MET  57   5.561   6.221   0.586
  472   1HE   MET  57          1HE       MET  57   5.541   4.042  -1.777
  473   2HE   MET  57          2HE       MET  57   4.968   5.016  -3.129
  474   3HE   MET  57          3HE       MET  57   4.232   5.199  -1.536
  475    H    MET  58           H        MET  58   6.443  10.794   0.585
  476    HA   MET  58           HA       MET  58   5.353  10.459   3.290
  477   1HB   MET  58          2HB       MET  58   6.096  12.666   3.949
  478   2HB   MET  58          1HB       MET  58   7.486  11.722   3.434
  479   1HG   MET  58          2HG       MET  58   7.540  12.867   1.321
  480   2HG   MET  58          1HG       MET  58   6.054  13.727   1.712
  481   1HE   MET  58          1HE       MET  58   8.573  16.650   1.801
  482   2HE   MET  58          2HE       MET  58   7.020  16.066   1.208
  483   3HE   MET  58          3HE       MET  58   8.514  15.302   0.668
  484    H    ASN  59           H        ASN  59   5.159  11.840   0.117
  485    HA   ASN  59           HA       ASN  59   2.954  13.577   0.650
  486   1HB   ASN  59          2HB       ASN  59   3.987  12.507  -1.988
  487   2HB   ASN  59          1HB       ASN  59   2.782  13.775  -1.816
  488   1HD2  ASN  59          1HD2      ASN  59   3.966  15.324  -2.849
  489   2HD2  ASN  59          2HD2      ASN  59   5.409  16.011  -2.188
  490    H    ALA  60           H        ALA  60   0.800  13.269   0.315
  491    HA   ALA  60           HA       ALA  60  -0.258  10.670   0.547
  492   1HB   ALA  60          1HB       ALA  60  -1.409  12.684   1.353
  493   2HB   ALA  60          2HB       ALA  60  -2.433  11.720   0.289
  494   3HB   ALA  60          3HB       ALA  60  -1.671  13.192  -0.315
  495    H    GLU  61           H        GLU  61   0.544  12.640  -2.177
  496    HA   GLU  61           HA       GLU  61  -0.968  11.399  -4.177
  497   1HB   GLU  61          2HB       GLU  61   1.786  12.616  -4.404
  498   2HB   GLU  61          1HB       GLU  61   0.672  12.322  -5.735
  499   1HG   GLU  61          2HG       GLU  61   0.205  14.193  -3.426
  500   2HG   GLU  61          1HG       GLU  61   0.665  14.658  -5.062
  501    H    HIS  62           H        HIS  62   2.154  10.542  -2.760
  502    HA   HIS  62           HA       HIS  62   2.430   8.295  -4.569
  503   1HB   HIS  62          2HB       HIS  62   4.118   9.092  -2.189
  504   2HB   HIS  62          1HB       HIS  62   4.488   7.771  -3.294
  505    HD1  HIS  62           1HD      HIS  62   4.578   8.726  -5.977
  506    HD2  HIS  62           2HD      HIS  62   5.398  11.353  -2.860
  507    HE1  HIS  62           1HE      HIS  62   5.835  10.638  -7.010
  508    HE2  HIS  62           2HE      HIS  62   6.166  12.286  -5.138
  509    H    ARG  63           H        ARG  63   1.061   8.982  -1.511
  510    HA   ARG  63           HA       ARG  63   0.994   6.327  -0.489
  511   1HB   ARG  63          2HB       ARG  63  -0.711   8.752   0.069
  512   2HB   ARG  63          1HB       ARG  63  -0.954   7.213   0.881
  513   1HG   ARG  63          2HG       ARG  63   1.593   8.816   0.950
  514   2HG   ARG  63          1HG       ARG  63   0.361   8.808   2.213
  515   1HD   ARG  63          2HD       ARG  63   0.695   6.365   2.455
  516   2HD   ARG  63          1HD       ARG  63   2.000   6.458   1.275
  517    HE   ARG  63           HE       ARG  63   2.655   8.296   3.198
  518   1HH1  ARG  63          1HH1      ARG  63   1.981   4.865   3.189
  519   2HH1  ARG  63          2HH1      ARG  63   3.035   4.523   4.525
  520   1HH2  ARG  63          1HH2      ARG  63   4.025   7.857   4.976
  521   2HH2  ARG  63          2HH2      ARG  63   4.189   6.226   5.545
  522    H    LYS  64           H        LYS  64  -1.365   8.292  -2.312
  523    HA   LYS  64           HA       LYS  64  -3.253   6.196  -2.538
  524   1HB   LYS  64          2HB       LYS  64  -4.304   7.540  -4.312
  525   2HB   LYS  64          1HB       LYS  64  -3.937   8.500  -2.889
  526   1HG   LYS  64          2HG       LYS  64  -2.044   9.490  -3.967
  527   2HG   LYS  64          1HG       LYS  64  -2.217   8.418  -5.353
  528   1HD   LYS  64          2HD       LYS  64  -3.137  10.462  -6.053
  529   2HD   LYS  64          1HD       LYS  64  -4.526   9.451  -5.661
  530   1HE   LYS  64          2HE       LYS  64  -3.333  11.430  -3.728
  531   2HE   LYS  64          1HE       LYS  64  -4.613  11.850  -4.860
  532   1HZ   LYS  64          1HZ       LYS  64  -5.601  11.322  -2.790
  533   2HZ   LYS  64          2HZ       LYS  64  -4.746   9.880  -2.651
  534   3HZ   LYS  64          3HZ       LYS  64  -5.947  10.038  -3.830
  535    H    LEU  65           H        LEU  65  -0.510   7.173  -4.523
  536    HA   LEU  65           HA       LEU  65  -0.962   5.404  -6.663
  537   1HB   LEU  65          2HB       LEU  65   1.214   7.063  -5.685
  538   2HB   LEU  65          1HB       LEU  65   1.804   5.558  -6.359
  539    HG   LEU  65           HG       LEU  65   1.766   7.409  -7.998
  540   1HD1  LEU  65          1HD1      LEU  65   0.659   6.170  -9.798
  541   2HD1  LEU  65          2HD1      LEU  65  -0.123   5.136  -8.602
  542   3HD1  LEU  65          3HD1      LEU  65   1.632   5.113  -8.774
  543   1HD2  LEU  65          1HD2      LEU  65  -1.230   7.266  -7.647
  544   2HD2  LEU  65          2HD2      LEU  65  -0.377   8.202  -8.874
  545   3HD2  LEU  65          3HD2      LEU  65  -0.189   8.609  -7.169
  546    H    LEU  66           H        LEU  66   0.931   5.035  -3.688
  547    HA   LEU  66           HA       LEU  66   1.729   2.382  -4.052
  548   1HB   LEU  66          2HB       LEU  66   2.683   3.798  -2.325
  549   2HB   LEU  66          1HB       LEU  66   1.131   3.911  -1.519
  550    HG   LEU  66           HG       LEU  66   1.246   1.461  -1.063
  551   1HD1  LEU  66          1HD1      LEU  66   4.047   1.748  -2.137
  552   2HD1  LEU  66          2HD1      LEU  66   2.745   0.790  -2.843
  553   3HD1  LEU  66          3HD1      LEU  66   3.420   0.342  -1.276
  554   1HD2  LEU  66          1HD2      LEU  66   1.887   3.084   0.629
  555   2HD2  LEU  66          2HD2      LEU  66   3.531   3.124  -0.008
  556   3HD2  LEU  66          3HD2      LEU  66   2.904   1.648   0.727
  557    H    GLU  67           H        GLU  67  -1.185   3.763  -2.643
  558    HA   GLU  67           HA       GLU  67  -2.324   1.377  -1.697
  559   1HB   GLU  67          2HB       GLU  67  -2.970   3.727  -1.088
  560   2HB   GLU  67          1HB       GLU  67  -3.761   3.855  -2.650
  561   1HG   GLU  67          2HG       GLU  67  -5.311   2.105  -2.047
  562   2HG   GLU  67          1HG       GLU  67  -4.479   1.868  -0.508
  563    H    GLN  68           H        GLN  68  -2.943   3.201  -4.699
  564    HA   GLN  68           HA       GLN  68  -4.735   1.415  -5.869
  565   1HB   GLN  68          2HB       GLN  68  -2.731   3.288  -7.140
  566   2HB   GLN  68          1HB       GLN  68  -3.962   2.422  -8.046
  567   1HG   GLN  68          2HG       GLN  68  -5.712   3.574  -6.857
  568   2HG   GLN  68          1HG       GLN  68  -4.528   4.376  -5.825
  569   1HE2  GLN  68          1HE2      GLN  68  -5.929   4.220  -9.004
  570   2HE2  GLN  68          2HE2      GLN  68  -5.303   5.728  -9.571
  571    H    GLU  69           H        GLU  69  -1.209   1.623  -6.253
  572    HA   GLU  69           HA       GLU  69  -0.936  -0.556  -8.004
  573   1HB   GLU  69          2HB       GLU  69   0.938   0.846  -6.129
  574   2HB   GLU  69          1HB       GLU  69   1.462  -0.561  -7.042
  575   1HG   GLU  69          2HG       GLU  69   0.217   1.797  -8.399
  576   2HG   GLU  69          1HG       GLU  69   1.938   1.752  -8.008
  577    H    MET  70           H        MET  70  -0.874  -0.390  -4.470
  578    HA   MET  70           HA       MET  70  -0.064  -3.056  -4.025
  579   1HB   MET  70          2HB       MET  70   0.017  -1.354  -2.272
  580   2HB   MET  70          1HB       MET  70  -1.737  -1.237  -2.282
  581   1HG   MET  70          2HG       MET  70  -1.923  -3.512  -1.476
  582   2HG   MET  70          1HG       MET  70  -0.172  -3.699  -1.544
  583   1HE   MET  70          1HE       MET  70  -2.345  -0.857   1.381
  584   2HE   MET  70          2HE       MET  70  -3.158  -1.827   0.151
  585   3HE   MET  70          3HE       MET  70  -2.137  -0.472  -0.327
  586    H    VAL  71           H        VAL  71  -3.286  -1.578  -4.192
  587    HA   VAL  71           HA       VAL  71  -4.657  -4.051  -3.743
  588    HB   VAL  71           HB       VAL  71  -5.746  -1.461  -4.881
  589   1HG1  VAL  71          1HG1      VAL  71  -7.231  -3.354  -5.296
  590   2HG1  VAL  71          2HG1      VAL  71  -7.921  -2.262  -4.095
  591   3HG1  VAL  71          3HG1      VAL  71  -7.181  -3.780  -3.585
  592   1HG2  VAL  71          1HG2      VAL  71  -4.710  -1.140  -2.684
  593   2HG2  VAL  71          2HG2      VAL  71  -5.708  -2.436  -2.024
  594   3HG2  VAL  71          3HG2      VAL  71  -6.463  -0.954  -2.609
  595    H    SER  72           H        SER  72  -3.099  -2.734  -6.449
  596    HA   SER  72           HA       SER  72  -4.772  -4.184  -8.348
  597   1HB   SER  72          2HB       SER  72  -3.855  -1.846  -8.798
  598   2HB   SER  72          1HB       SER  72  -2.275  -2.605  -8.975
  599    HG   SER  72           HG       SER  72  -3.803  -4.034 -10.500
  600    H    PHE  73           H        PHE  73  -1.362  -4.118  -7.302
  601    HA   PHE  73           HA       PHE  73  -0.604  -6.304  -8.953
  602   1HB   PHE  73          2HB       PHE  73   0.995  -4.598  -8.158
  603   2HB   PHE  73          1HB       PHE  73   0.774  -5.163  -6.507
  604    HD1  PHE  73           1HD      PHE  73   2.200  -5.965  -9.791
  605    HD2  PHE  73           2HD      PHE  73   1.843  -7.149  -5.722
  606    HE1  PHE  73           1HE      PHE  73   4.035  -7.572 -10.099
  607    HE2  PHE  73           2HE      PHE  73   3.676  -8.761  -6.022
  608    HZ   PHE  73           HZ       PHE  73   4.777  -8.972  -8.214
  609    H    LEU  74           H        LEU  74  -1.331  -6.042  -5.485
  610    HA   LEU  74           HA       LEU  74  -0.697  -8.805  -5.043
  611   1HB   LEU  74          2HB       LEU  74  -1.892  -6.689  -3.268
  612   2HB   LEU  74          1HB       LEU  74  -1.569  -8.326  -2.730
  613    HG   LEU  74           HG       LEU  74   0.498  -6.343  -3.689
  614   1HD1  LEU  74          1HD1      LEU  74  -0.099  -7.430  -0.941
  615   2HD1  LEU  74          2HD1      LEU  74  -0.384  -5.782  -1.498
  616   3HD1  LEU  74          3HD1      LEU  74   1.263  -6.394  -1.362
  617   1HD2  LEU  74          1HD2      LEU  74   1.110  -8.630  -4.275
  618   2HD2  LEU  74          2HD2      LEU  74   0.829  -9.141  -2.611
  619   3HD2  LEU  74          3HD2      LEU  74   2.133  -8.014  -2.981
  620    H    PHE  75           H        PHE  75  -3.712  -6.924  -4.823
  621    HA   PHE  75           HA       PHE  75  -5.196  -9.438  -4.604
  622   1HB   PHE  75          2HB       PHE  75  -5.538  -7.575  -2.949
  623   2HB   PHE  75          1HB       PHE  75  -6.213  -6.615  -4.257
  624    HD1  PHE  75           1HD      PHE  75  -6.717  -9.606  -2.168
  625    HD2  PHE  75           2HD      PHE  75  -8.434  -6.961  -5.028
  626    HE1  PHE  75           1HE      PHE  75  -8.934 -10.581  -1.735
  627    HE2  PHE  75           2HE      PHE  75 -10.651  -7.937  -4.602
  628    HZ   PHE  75           HZ       PHE  75 -10.902  -9.746  -2.953
  629    H    GLU  76           H        GLU  76  -4.939  -6.546  -6.540
  630    HA   GLU  76           HA       GLU  76  -5.845  -5.819  -8.451
  631   1HB   GLU  76          2HB       GLU  76  -4.604  -7.852  -9.278
  632   2HB   GLU  76          1HB       GLU  76  -6.141  -8.709  -9.244
  633   1HG   GLU  76          2HG       GLU  76  -5.475  -7.779 -11.476
  634   2HG   GLU  76          1HG       GLU  76  -7.075  -7.301 -10.903
  635    H    GLY  77           H        GLY  77  -7.578  -5.248  -6.908
  636   1HA   GLY  77          2HA       GLY  77 -10.107  -6.060  -8.128
  637   2HA   GLY  77          1HA       GLY  77  -9.964  -6.207  -6.380
  638    H    LYS  78           H        LYS  78  -8.451  -3.725  -8.307
  639    HA   LYS  78           HA       LYS  78  -9.793  -1.744  -6.642
  640   1HB   LYS  78          2HB       LYS  78  -8.040  -0.196  -7.552
  641   2HB   LYS  78          1HB       LYS  78  -7.422  -1.544  -6.615
  642   1HG   LYS  78          2HG       LYS  78  -5.955  -1.513  -8.370
  643   2HG   LYS  78          1HG       LYS  78  -7.141  -2.675  -8.956
  644   1HD   LYS  78          2HD       LYS  78  -8.197  -0.968 -10.310
  645   2HD   LYS  78          1HD       LYS  78  -7.122   0.264  -9.648
  646   1HE   LYS  78          2HE       LYS  78  -6.320  -0.342 -11.818
  647   2HE   LYS  78          1HE       LYS  78  -5.200  -0.984 -10.620
  648   1HZ   LYS  78          1HZ       LYS  78  -6.249  -3.166 -10.874
  649   2HZ   LYS  78          2HZ       LYS  78  -5.641  -2.598 -12.345
  650   3HZ   LYS  78          3HZ       LYS  78  -7.301  -2.531 -12.041
  651    H    ASP  79           H        ASP  79 -11.004  -0.071  -7.429
  652    HA   ASP  79           HA       ASP  79 -11.775  -0.227 -10.254
  653   1HB   ASP  79          2HB       ASP  79 -13.639  -0.276  -8.717
  654   2HB   ASP  79          1HB       ASP  79 -13.054   1.165  -7.893
  655    H    VAL  80           H        VAL  80 -10.103   1.723  -7.965
  656    HA   VAL  80           HA       VAL  80 -10.327   4.235  -9.229
  657    HB   VAL  80           HB       VAL  80  -8.013   3.331  -7.513
  658   1HG1  VAL  80          1HG1      VAL  80  -7.707   5.477  -8.630
  659   2HG1  VAL  80          2HG1      VAL  80  -7.890   5.692  -6.889
  660   3HG1  VAL  80          3HG1      VAL  80  -9.239   6.050  -7.968
  661   1HG2  VAL  80          1HG2      VAL  80 -10.701   4.388  -6.640
  662   2HG2  VAL  80          2HG2      VAL  80  -9.306   4.154  -5.586
  663   3HG2  VAL  80          3HG2      VAL  80 -10.068   2.764  -6.360
  664    H    HIS  81           H        HIS  81  -9.737   4.539 -11.262
  665    HA   HIS  81           HA       HIS  81  -7.826   2.944 -12.624
  666   1HB   HIS  81          2HB       HIS  81  -9.049   5.584 -13.457
  667   2HB   HIS  81          1HB       HIS  81  -8.226   4.447 -14.519
  668    HD1  HIS  81           1HD      HIS  81 -11.501   5.423 -13.627
  669    HD2  HIS  81           2HD      HIS  81  -9.668   1.765 -14.325
  670    HE1  HIS  81           1HE      HIS  81 -13.372   3.820 -14.118
  671    HE2  HIS  81           2HE      HIS  81 -12.249   1.571 -14.261
  672    H    ILE  82           H        ILE  82  -5.699   3.247 -12.987
  673    HA   ILE  82           HA       ILE  82  -4.450   5.514 -11.625
  674    HB   ILE  82           HB       ILE  82  -3.011   3.121 -12.766
  675   1HG1  ILE  82          2HG1      ILE  82  -4.081   3.449  -9.949
  676   2HG1  ILE  82          1HG1      ILE  82  -4.764   2.378 -11.167
  677   1HG2  ILE  82          1HG2      ILE  82  -1.644   5.069 -12.237
  678   2HG2  ILE  82          2HG2      ILE  82  -1.304   3.748 -11.118
  679   3HG2  ILE  82          3HG2      ILE  82  -2.304   5.105 -10.604
  680   1HD1  ILE  82          1HD1      ILE  82  -3.388   1.140  -9.612
  681   2HD1  ILE  82          2HD1      ILE  82  -2.009   2.179  -9.972
  682   3HD1  ILE  82          3HD1      ILE  82  -2.663   1.119 -11.220
  683    H    GLU  83           H        GLU  83  -4.769   7.121 -13.176
  684    HA   GLU  83           HA       GLU  83  -3.082   6.807 -15.574
  685   1HB   GLU  83          2HB       GLU  83  -5.576   7.173 -15.959
  686   2HB   GLU  83          1HB       GLU  83  -5.355   8.777 -15.273
  687   1HG   GLU  83          2HG       GLU  83  -3.754   9.312 -17.040
  688   2HG   GLU  83          1HG       GLU  83  -3.982   7.707 -17.731
  689    H    GLY  84           H        GLY  84  -3.290   8.146 -12.583
  690   1HA   GLY  84          2HA       GLY  84  -1.731   9.597 -11.596
  691   2HA   GLY  84          1HA       GLY  84  -1.309  10.195 -13.197
  692    H    TYR  85           H        TYR  85  -1.517  12.345 -12.550
  693    HA   TYR  85           HA       TYR  85  -2.581  14.345 -12.443
  694   1HB   TYR  85          2HB       TYR  85  -5.014  12.787 -13.347
  695   2HB   TYR  85          1HB       TYR  85  -4.839  14.537 -13.386
  696    HD1  TYR  85           1HD      TYR  85  -4.136  11.424 -15.074
  697    HD2  TYR  85           2HD      TYR  85  -3.188  15.570 -14.960
  698    HE1  TYR  85           1HE      TYR  85  -3.209  11.267 -17.345
  699    HE2  TYR  85           2HE      TYR  85  -2.253  15.422 -17.231
  700    HH   TYR  85           HH       TYR  85  -2.731  12.681 -19.238
  701    H    THR  86           H        THR  86  -5.158  15.056 -11.668
  702    HA   THR  86           HA       THR  86  -5.504  13.769  -9.065
  703    HB   THR  86           HB       THR  86  -4.372  15.861  -8.626
  704    HG1  THR  86           1HG      THR  86  -5.778  15.492  -7.028
  705   1HG2  THR  86          1HG2      THR  86  -4.964  17.119 -10.629
  706   2HG2  THR  86          2HG2      THR  86  -5.378  18.035  -9.180
  707   3HG2  THR  86          3HG2      THR  86  -6.642  17.212 -10.092
  708    HA   PRO  87           HA       PRO  87  -9.513  13.487 -11.045
  709   1HB   PRO  87          2HB       PRO  87 -10.474  11.503  -9.487
  710   2HB   PRO  87          1HB       PRO  87  -9.316  11.208 -10.789
  711   1HG   PRO  87          2HG       PRO  87  -8.856  11.397  -7.844
  712   2HG   PRO  87          1HG       PRO  87  -8.122  10.299  -9.025
  713   1HD   PRO  87          2HD       PRO  87  -6.907  12.560  -8.042
  714   2HD   PRO  87          1HD       PRO  87  -6.512  11.814  -9.603
  715    H    GLU  88           H        GLU  88 -11.160  14.796 -10.654
  716    HA   GLU  88           HA       GLU  88 -11.711  15.973  -8.137
  717   1HB   GLU  88          2HB       GLU  88 -13.727  15.705 -10.365
  718   2HB   GLU  88          1HB       GLU  88 -13.612  16.975  -9.159
  719   1HG   GLU  88          2HG       GLU  88 -12.822  18.044 -11.019
  720   2HG   GLU  88          1HG       GLU  88 -11.322  17.466 -10.295
  721    H    ASP  89           H        ASP  89 -13.303  15.499  -6.611
  722    HA   ASP  89           HA       ASP  89 -14.194  12.801  -6.437
  723   1HB   ASP  89          2HB       ASP  89 -15.504  13.594  -4.469
  724   2HB   ASP  89          1HB       ASP  89 -13.804  14.037  -4.391
  725    H    LYS  90           H        LYS  90 -16.114  11.898  -7.004
  726    HA   LYS  90           HA       LYS  90 -17.464  13.264  -9.118
  727   1HB   LYS  90          2HB       LYS  90 -16.945  10.706  -8.847
  728   2HB   LYS  90          1HB       LYS  90 -18.470  10.679  -7.971
  729   1HG   LYS  90          2HG       LYS  90 -18.124  11.681 -10.792
  730   2HG   LYS  90          1HG       LYS  90 -18.701  10.074 -10.352
  731   1HD   LYS  90          2HD       LYS  90 -20.679  10.941  -9.395
  732   2HD   LYS  90          1HD       LYS  90 -20.046  12.587  -9.395
  733   1HE   LYS  90          2HE       LYS  90 -20.038  12.530 -11.874
  734   2HE   LYS  90          1HE       LYS  90 -20.798  10.941 -11.803
  735   1HZ   LYS  90          1HZ       LYS  90 -21.965  13.409 -10.627
  736   2HZ   LYS  90          2HZ       LYS  90 -22.710  11.889 -10.742
  737   3HZ   LYS  90          3HZ       LYS  90 -22.386  12.777 -12.141
  738    H    LYS  91           H        LYS  91 -18.833  14.807  -8.680
  739    HA   LYS  91           HA       LYS  91 -20.787  14.494  -6.534
  740   1HB   LYS  91          2HB       LYS  91 -20.059  16.857  -8.283
  741   2HB   LYS  91          1HB       LYS  91 -21.327  16.884  -7.061
  742   1HG   LYS  91          2HG       LYS  91 -19.756  16.547  -5.306
  743   2HG   LYS  91          1HG       LYS  91 -18.458  16.220  -6.453
  744   1HD   LYS  91          2HD       LYS  91 -18.607  18.537  -7.256
  745   2HD   LYS  91          1HD       LYS  91 -19.885  18.854  -6.075
  746   1HE   LYS  91          2HE       LYS  91 -18.379  18.427  -4.251
  747   2HE   LYS  91          1HE       LYS  91 -17.116  17.897  -5.359
  748   1HZ   LYS  91          1HZ       LYS  91 -16.658  20.116  -4.646
  749   2HZ   LYS  91          2HZ       LYS  91 -18.199  20.647  -5.086
  750   3HZ   LYS  91          3HZ       LYS  91 -17.096  20.172  -6.277
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1   2.760 -24.966  12.785
    2   2H    MET   1          2HT       MET   1   1.927 -26.059  13.769
    3   3H    MET   1          3HT       MET   1   1.775 -24.394  14.036
    4    HA   MET   1           HA       MET   1   0.866 -25.861  11.636
    5   1HB   MET   1          2HB       MET   1  -1.387 -25.450  12.388
    6   2HB   MET   1          1HB       MET   1  -0.512 -26.262  13.675
    7   1HG   MET   1          2HG       MET   1  -1.035 -23.302  13.546
    8   2HG   MET   1          1HG       MET   1  -1.987 -24.459  14.472
    9   1HE   MET   1          1HE       MET   1  -1.598 -22.873  16.592
   10   2HE   MET   1          2HE       MET   1  -0.567 -21.790  15.657
   11   3HE   MET   1          3HE       MET   1  -0.004 -22.429  17.201
   12    H    SER   2           H        SER   2   0.140 -24.654   9.970
   13    HA   SER   2           HA       SER   2   0.642 -21.761  10.157
   14   1HB   SER   2          2HB       SER   2   0.771 -23.595   7.749
   15   2HB   SER   2          1HB       SER   2   1.037 -21.852   7.712
   16    HG   SER   2           HG       SER   2   3.031 -22.335   8.119
   17    H    ARG   3           H        ARG   3  -0.820 -20.337   9.143
   18    HA   ARG   3           HA       ARG   3  -3.546 -21.296   9.054
   19   1HB   ARG   3          2HB       ARG   3  -2.860 -19.088  10.066
   20   2HB   ARG   3          1HB       ARG   3  -2.488 -18.527   8.443
   21   1HG   ARG   3          2HG       ARG   3  -4.810 -18.790   7.793
   22   2HG   ARG   3          1HG       ARG   3  -5.202 -19.422   9.394
   23   1HD   ARG   3          2HD       ARG   3  -4.427 -17.266  10.365
   24   2HD   ARG   3          1HD       ARG   3  -4.200 -16.655   8.729
   25    HE   ARG   3           HE       ARG   3  -6.826 -17.610   8.986
   26   1HH1  ARG   3          1HH1      ARG   3  -4.809 -14.973  10.108
   27   2HH1  ARG   3          2HH1      ARG   3  -6.144 -13.893  10.352
   28   1HH2  ARG   3          1HH2      ARG   3  -8.573 -16.189   9.308
   29   2HH2  ARG   3          2HH2      ARG   3  -8.280 -14.578   9.885
   30    H    THR   4           H        THR   4  -3.952 -22.490   7.271
   31    HA   THR   4           HA       THR   4  -2.792 -21.908   4.720
   32    HB   THR   4           HB       THR   4  -4.445 -23.717   3.950
   33    HG1  THR   4           1HG      THR   4  -5.909 -24.149   5.412
   34   1HG2  THR   4          1HG2      THR   4  -3.084 -25.509   4.923
   35   2HG2  THR   4          2HG2      THR   4  -2.416 -24.369   6.090
   36   3HG2  THR   4          3HG2      THR   4  -2.085 -24.165   4.371
   37    H    ILE   5           H        ILE   5  -3.513 -20.575   3.233
   38    HA   ILE   5           HA       ILE   5  -6.374 -19.953   3.110
   39    HB   ILE   5           HB       ILE   5  -5.755 -17.546   2.600
   40   1HG1  ILE   5          2HG1      ILE   5  -3.583 -16.889   3.914
   41   2HG1  ILE   5          1HG1      ILE   5  -3.107 -18.552   3.600
   42   1HG2  ILE   5          1HG2      ILE   5  -5.287 -18.615   5.376
   43   2HG2  ILE   5          2HG2      ILE   5  -6.831 -18.145   4.669
   44   3HG2  ILE   5          3HG2      ILE   5  -5.601 -16.923   4.985
   45   1HD1  ILE   5          1HD1      ILE   5  -3.342 -18.147   1.191
   46   2HD1  ILE   5          2HD1      ILE   5  -2.167 -17.069   1.945
   47   3HD1  ILE   5          3HD1      ILE   5  -3.772 -16.470   1.529
   48    H    PHE   6           H        PHE   6  -6.704 -18.510   1.023
   49    HA   PHE   6           HA       PHE   6  -5.111 -19.730  -1.131
   50   1HB   PHE   6          2HB       PHE   6  -7.973 -18.734  -1.176
   51   2HB   PHE   6          1HB       PHE   6  -7.085 -19.270  -2.598
   52    HD1  PHE   6           1HD      PHE   6  -6.296 -21.656  -2.701
   53    HD2  PHE   6           2HD      PHE   6  -9.058 -20.266   0.224
   54    HE1  PHE   6           1HE      PHE   6  -7.014 -23.971  -2.284
   55    HE2  PHE   6           2HE      PHE   6  -9.777 -22.581   0.651
   56    HZ   PHE   6           HZ       PHE   6  -8.756 -24.436  -0.606
   57    H    CYS   7           H        CYS   7  -3.565 -18.263  -1.546
   58    HA   CYS   7           HA       CYS   7  -3.984 -15.452  -1.349
   59   1HB   CYS   7          2HB       CYS   7  -1.758 -16.464  -1.040
   60   2HB   CYS   7          1HB       CYS   7  -1.759 -16.971  -2.726
   61    HG   CYS   7           HG       CYS   7  -2.232 -13.682  -2.220
   62    H    THR   8           H        THR   8  -4.879 -14.139  -2.778
   63    HA   THR   8           HA       THR   8  -6.064 -15.140  -5.138
   64    HB   THR   8           HB       THR   8  -6.524 -12.646  -5.555
   65    HG1  THR   8           1HG      THR   8  -6.195 -11.416  -3.554
   66   1HG2  THR   8          1HG2      THR   8  -8.167 -14.140  -4.564
   67   2HG2  THR   8          2HG2      THR   8  -8.196 -12.586  -3.732
   68   3HG2  THR   8          3HG2      THR   8  -7.401 -13.971  -2.984
   69    H    TYR   9           H        TYR   9  -3.095 -13.365  -4.548
   70    HA   TYR   9           HA       TYR   9  -2.503 -12.698  -7.219
   71   1HB   TYR   9          2HB       TYR   9  -1.325 -11.682  -5.316
   72   2HB   TYR   9          1HB       TYR   9  -0.614 -13.241  -4.912
   73    HD1  TYR   9           1HD      TYR   9  -0.697 -10.604  -7.519
   74    HD2  TYR   9           2HD      TYR   9   1.382 -13.954  -5.934
   75    HE1  TYR   9           1HE      TYR   9   1.211 -10.109  -8.988
   76    HE2  TYR   9           2HE      TYR   9   3.295 -13.468  -7.396
   77    HH   TYR   9           HH       TYR   9   3.670 -12.281  -9.607
   78    H    LEU  10           H        LEU  10  -2.157 -15.641  -5.393
   79    HA   LEU  10           HA       LEU  10  -0.521 -16.848  -7.498
   80   1HB   LEU  10          2HB       LEU  10  -1.308 -17.918  -4.786
   81   2HB   LEU  10          1HB       LEU  10  -0.221 -18.705  -5.914
   82    HG   LEU  10           HG       LEU  10   0.298 -16.043  -4.580
   83   1HD1  LEU  10          1HD1      LEU  10   1.958 -17.245  -3.267
   84   2HD1  LEU  10          2HD1      LEU  10   1.478 -18.763  -4.029
   85   3HD1  LEU  10          3HD1      LEU  10   0.344 -17.897  -2.990
   86   1HD2  LEU  10          1HD2      LEU  10   2.058 -17.778  -6.309
   87   2HD2  LEU  10          2HD2      LEU  10   2.569 -16.321  -5.460
   88   3HD2  LEU  10          3HD2      LEU  10   1.375 -16.213  -6.752
   89    H    GLN  11           H        GLN  11  -3.701 -16.926  -6.112
   90    HA   GLN  11           HA       GLN  11  -5.598 -18.086  -6.552
   91   1HB   GLN  11          2HB       GLN  11  -4.166 -18.668  -9.153
   92   2HB   GLN  11          1HB       GLN  11  -5.837 -19.113  -8.834
   93   1HG   GLN  11          2HG       GLN  11  -4.749 -16.306  -8.828
   94   2HG   GLN  11          1HG       GLN  11  -5.652 -17.055 -10.144
   95   1HE2  GLN  11          1HE2      GLN  11  -6.274 -14.682  -8.556
   96   2HE2  GLN  11          2HE2      GLN  11  -7.828 -14.977  -7.858
   97    H    ARG  12           H        ARG  12  -3.409 -19.285  -5.152
   98    HA   ARG  12           HA       ARG  12  -3.977 -22.125  -5.559
   99   1HB   ARG  12          2HB       ARG  12  -1.246 -20.842  -5.493
  100   2HB   ARG  12          1HB       ARG  12  -1.493 -22.548  -5.159
  101   1HG   ARG  12          2HG       ARG  12  -2.366 -22.899  -7.379
  102   2HG   ARG  12          1HG       ARG  12  -2.267 -21.169  -7.718
  103   1HD   ARG  12          2HD       ARG  12  -0.391 -22.550  -8.653
  104   2HD   ARG  12          1HD       ARG  12   0.107 -21.199  -7.634
  105    HE   ARG  12           HE       ARG  12   0.403 -22.871  -5.827
  106   1HH1  ARG  12          1HH1      ARG  12   0.452 -23.947  -9.161
  107   2HH1  ARG  12          2HH1      ARG  12   1.423 -25.342  -8.824
  108   1HH2  ARG  12          1HH2      ARG  12   1.693 -24.686  -5.387
  109   2HH2  ARG  12          2HH2      ARG  12   2.142 -25.761  -6.676
  110    H    ASP  13           H        ASP  13  -2.927 -23.411  -3.705
  111    HA   ASP  13           HA       ASP  13  -3.752 -22.363  -1.195
  112   1HB   ASP  13          2HB       ASP  13  -3.752 -24.773  -1.620
  113   2HB   ASP  13          1HB       ASP  13  -2.009 -24.753  -1.862
  114    H    ALA  14           H        ALA  14  -2.655 -21.170   0.239
  115    HA   ALA  14           HA       ALA  14   0.254 -21.047   0.076
  116   1HB   ALA  14          1HB       ALA  14  -0.523 -19.293  -1.433
  117   2HB   ALA  14          2HB       ALA  14   0.273 -18.609  -0.016
  118   3HB   ALA  14          3HB       ALA  14  -1.487 -18.595  -0.132
  119    H    GLU  15           H        GLU  15   1.080 -19.512   1.835
  120    HA   GLU  15           HA       GLU  15  -0.311 -20.245   4.302
  121   1HB   GLU  15          2HB       GLU  15   2.015 -21.008   4.089
  122   2HB   GLU  15          1HB       GLU  15   2.543 -19.352   3.824
  123   1HG   GLU  15          2HG       GLU  15   1.845 -18.755   6.075
  124   2HG   GLU  15          1HG       GLU  15   1.272 -20.401   6.336
  125    H    GLY  16           H        GLY  16  -1.211 -18.732   5.566
  126   1HA   GLY  16          2HA       GLY  16  -1.526 -16.062   4.798
  127   2HA   GLY  16          1HA       GLY  16  -1.792 -16.684   6.424
  128    H    GLN  17           H        GLN  17  -0.588 -14.150   5.468
  129    HA   GLN  17           HA       GLN  17   2.215 -14.220   5.768
  130   1HB   GLN  17          2HB       GLN  17   0.228 -11.983   6.075
  131   2HB   GLN  17          1HB       GLN  17   1.965 -11.747   6.165
  132   1HG   GLN  17          2HG       GLN  17   2.196 -12.544   3.880
  133   2HG   GLN  17          1HG       GLN  17   0.452 -12.801   3.796
  134   1HE2  GLN  17          1HE2      GLN  17   1.858 -10.124   5.510
  135   2HE2  GLN  17          2HE2      GLN  17   1.347  -8.894   4.410
  136    H    ASP  18           H        ASP  18   0.271 -12.238   7.902
  137    HA   ASP  18           HA       ASP  18   1.530 -13.428  10.243
  138   1HB   ASP  18          2HB       ASP  18   1.764 -10.479   9.570
  139   2HB   ASP  18          1HB       ASP  18   2.323 -11.244  11.052
  140    H    PHE  19           H        PHE  19   0.821 -11.540  12.073
  141    HA   PHE  19           HA       PHE  19  -2.108 -11.566  11.873
  142   1HB   PHE  19          2HB       PHE  19  -0.330 -11.511  14.324
  143   2HB   PHE  19          1HB       PHE  19  -2.091 -11.505  14.342
  144    HD1  PHE  19           1HD      PHE  19   0.878 -13.518  14.105
  145    HD2  PHE  19           2HD      PHE  19  -3.327 -13.492  13.449
  146    HE1  PHE  19           1HE      PHE  19   0.878 -15.977  14.043
  147    HE2  PHE  19           2HE      PHE  19  -3.336 -15.952  13.392
  148    HZ   PHE  19           HZ       PHE  19  -1.233 -17.198  13.686
  149    H    GLN  20           H        GLN  20  -2.981  -9.727  13.502
  150    HA   GLN  20           HA       GLN  20  -2.173  -7.316  12.161
  151   1HB   GLN  20          2HB       GLN  20  -4.318  -7.949  14.165
  152   2HB   GLN  20          1HB       GLN  20  -3.969  -6.296  13.679
  153   1HG   GLN  20          2HG       GLN  20  -4.367  -6.968  11.322
  154   2HG   GLN  20          1HG       GLN  20  -4.878  -8.548  11.914
  155   1HE2  GLN  20          1HE2      GLN  20  -5.598  -5.143  11.866
  156   2HE2  GLN  20          2HE2      GLN  20  -7.258  -5.284  12.330
  157    H    LEU  21           H        LEU  21  -0.124  -6.858  12.850
  158    HA   LEU  21           HA       LEU  21   0.269  -6.319  15.695
  159   1HB   LEU  21          2HB       LEU  21   2.690  -5.850  14.718
  160   2HB   LEU  21          1HB       LEU  21   2.131  -7.464  15.097
  161    HG   LEU  21           HG       LEU  21   1.556  -7.774  12.680
  162   1HD1  LEU  21          1HD1      LEU  21   2.514  -6.239  11.042
  163   2HD1  LEU  21          2HD1      LEU  21   3.023  -5.161  12.342
  164   3HD1  LEU  21          3HD1      LEU  21   1.306  -5.435  12.044
  165   1HD2  LEU  21          1HD2      LEU  21   3.641  -8.620  13.615
  166   2HD2  LEU  21          2HD2      LEU  21   4.424  -7.075  13.286
  167   3HD2  LEU  21          3HD2      LEU  21   3.866  -8.080  11.950
  168    H    TYR  22           H        TYR  22  -0.579  -4.687  12.891
  169    HA   TYR  22           HA       TYR  22  -0.578  -2.197  14.264
  170   1HB   TYR  22          2HB       TYR  22   1.733  -2.087  13.586
  171   2HB   TYR  22          1HB       TYR  22   1.316  -2.465  11.924
  172    HD1  TYR  22           1HD      TYR  22   0.912  -0.740  10.400
  173    HD2  TYR  22           2HD      TYR  22   0.753   0.096  14.569
  174    HE1  TYR  22           1HE      TYR  22   0.680   1.658   9.907
  175    HE2  TYR  22           2HE      TYR  22   0.524   2.495  14.084
  176    HH   TYR  22           HH       TYR  22   1.030   4.064  12.284
  177    HA   PRO  23           HA       PRO  23  -2.601  -1.559   9.899
  178   1HB   PRO  23          2HB       PRO  23  -2.688  -4.313   8.825
  179   2HB   PRO  23          1HB       PRO  23  -2.285  -2.805   8.005
  180   1HG   PRO  23          2HG       PRO  23  -0.398  -4.576   8.574
  181   2HG   PRO  23          1HG       PRO  23  -0.090  -2.839   8.783
  182   1HD   PRO  23          2HD       PRO  23  -0.828  -4.888  10.855
  183   2HD   PRO  23          1HD       PRO  23   0.451  -3.661  10.908
  184    H    GLY  24           H        GLY  24  -4.830  -1.632   9.509
  185   1HA   GLY  24          2HA       GLY  24  -6.283  -3.087  11.606
  186   2HA   GLY  24          1HA       GLY  24  -6.830  -1.627  10.801
  187    H    GLU  25           H        GLU  25  -8.255  -1.819   9.167
  188    HA   GLU  25           HA       GLU  25  -9.399  -4.404   8.703
  189   1HB   GLU  25          2HB       GLU  25 -10.002  -1.749   7.395
  190   2HB   GLU  25          1HB       GLU  25 -10.971  -3.206   7.220
  191   1HG   GLU  25          2HG       GLU  25 -10.503  -1.629   9.735
  192   2HG   GLU  25          1HG       GLU  25 -12.002  -1.745   8.814
  193    H    LEU  26           H        LEU  26  -7.592  -2.091   6.729
  194    HA   LEU  26           HA       LEU  26  -7.519  -3.663   4.398
  195   1HB   LEU  26          2HB       LEU  26  -6.891  -1.265   4.486
  196   2HB   LEU  26          1HB       LEU  26  -5.458  -1.689   5.399
  197    HG   LEU  26           HG       LEU  26  -4.623  -2.978   3.462
  198   1HD1  LEU  26          1HD1      LEU  26  -5.714  -2.768   1.300
  199   2HD1  LEU  26          2HD1      LEU  26  -7.018  -1.833   2.029
  200   3HD1  LEU  26          3HD1      LEU  26  -6.799  -3.528   2.466
  201   1HD2  LEU  26          1HD2      LEU  26  -5.350  -0.117   2.840
  202   2HD2  LEU  26          2HD2      LEU  26  -4.073  -1.055   2.066
  203   3HD2  LEU  26          3HD2      LEU  26  -3.955  -0.649   3.778
  204    H    GLY  27           H        GLY  27  -5.631  -3.612   7.320
  205   1HA   GLY  27          2HA       GLY  27  -3.474  -5.222   6.585
  206   2HA   GLY  27          1HA       GLY  27  -4.127  -5.067   8.206
  207    H    LYS  28           H        LYS  28  -6.362  -6.252   8.394
  208    HA   LYS  28           HA       LYS  28  -5.770  -8.975   8.329
  209   1HB   LYS  28          2HB       LYS  28  -8.211  -9.320   8.811
  210   2HB   LYS  28          1HB       LYS  28  -7.395  -8.204   9.895
  211   1HG   LYS  28          2HG       LYS  28  -8.403  -6.326   8.863
  212   2HG   LYS  28          1HG       LYS  28  -8.999  -7.300   7.521
  213   1HD   LYS  28          2HD       LYS  28 -10.798  -6.773   9.069
  214   2HD   LYS  28          1HD       LYS  28 -10.477  -8.508   9.057
  215   1HE   LYS  28          2HE       LYS  28 -10.803  -7.824  11.324
  216   2HE   LYS  28          1HE       LYS  28  -9.096  -8.194  11.107
  217   1HZ   LYS  28          1HZ       LYS  28  -8.628  -5.848  10.931
  218   2HZ   LYS  28          2HZ       LYS  28  -9.443  -6.164  12.377
  219   3HZ   LYS  28          3HZ       LYS  28 -10.270  -5.459  11.078
  220    H    ARG  29           H        ARG  29  -7.516  -6.976   6.024
  221    HA   ARG  29           HA       ARG  29  -8.610  -8.993   4.427
  222   1HB   ARG  29          2HB       ARG  29  -9.231  -6.633   4.210
  223   2HB   ARG  29          1HB       ARG  29  -7.619  -6.251   3.619
  224   1HG   ARG  29          2HG       ARG  29  -8.024  -7.728   1.679
  225   2HG   ARG  29          1HG       ARG  29  -9.673  -7.976   2.255
  226   1HD   ARG  29          2HD       ARG  29 -10.090  -5.569   2.073
  227   2HD   ARG  29          1HD       ARG  29  -8.444  -5.333   1.479
  228    HE   ARG  29           HE       ARG  29  -9.673  -7.237  -0.143
  229   1HH1  ARG  29          1HH1      ARG  29  -9.984  -3.825   0.584
  230   2HH1  ARG  29          2HH1      ARG  29 -10.665  -3.434  -0.961
  231   1HH2  ARG  29          1HH2      ARG  29 -10.564  -6.732  -2.160
  232   2HH2  ARG  29          2HH2      ARG  29 -11.002  -5.092  -2.527
  233    H    ILE  30           H        ILE  30  -5.457  -7.374   4.256
  234    HA   ILE  30           HA       ILE  30  -4.604  -8.795   1.935
  235    HB   ILE  30           HB       ILE  30  -2.960  -7.286   3.976
  236   1HG1  ILE  30          2HG1      ILE  30  -4.017  -6.401   1.282
  237   2HG1  ILE  30          1HG1      ILE  30  -4.703  -5.930   2.832
  238   1HG2  ILE  30          1HG2      ILE  30  -1.589  -8.827   2.684
  239   2HG2  ILE  30          2HG2      ILE  30  -1.259  -7.162   2.209
  240   3HG2  ILE  30          3HG2      ILE  30  -2.260  -8.188   1.183
  241   1HD1  ILE  30          1HD1      ILE  30  -3.275  -4.193   1.875
  242   2HD1  ILE  30          2HD1      ILE  30  -1.911  -5.309   1.906
  243   3HD1  ILE  30          3HD1      ILE  30  -2.654  -4.783   3.416
  244    H    TYR  31           H        TYR  31  -4.154  -9.228   5.413
  245    HA   TYR  31           HA       TYR  31  -2.251 -11.300   5.271
  246   1HB   TYR  31          2HB       TYR  31  -4.294 -10.675   7.408
  247   2HB   TYR  31          1HB       TYR  31  -3.014 -11.866   7.591
  248    HD1  TYR  31           1HD      TYR  31  -0.794 -10.288   6.225
  249    HD2  TYR  31           2HD      TYR  31  -3.707  -9.168   9.117
  250    HE1  TYR  31           1HE      TYR  31   0.722  -8.549   7.069
  251    HE2  TYR  31           2HE      TYR  31  -2.199  -7.423   9.967
  252    HH   TYR  31           HH       TYR  31   0.616  -6.441   8.312
  253    H    ASN  32           H        ASN  32  -5.629 -11.291   4.666
  254    HA   ASN  32           HA       ASN  32  -5.996 -14.118   5.137
  255   1HB   ASN  32          2HB       ASN  32  -7.777 -11.979   3.974
  256   2HB   ASN  32          1HB       ASN  32  -8.252 -13.669   4.045
  257   1HD2  ASN  32          1HD2      ASN  32  -9.395 -11.289   5.294
  258   2HD2  ASN  32          2HD2      ASN  32  -9.422 -11.609   6.995
  259    H    GLU  33           H        GLU  33  -5.615 -11.988   2.333
  260    HA   GLU  33           HA       GLU  33  -6.001 -14.340   0.605
  261   1HB   GLU  33          2HB       GLU  33  -6.556 -11.431   0.028
  262   2HB   GLU  33          1HB       GLU  33  -6.748 -12.740  -1.130
  263   1HG   GLU  33          2HG       GLU  33  -8.467 -13.746   0.221
  264   2HG   GLU  33          1HG       GLU  33  -8.220 -12.546   1.486
  265    H    ILE  34           H        ILE  34  -3.605 -12.321   1.695
  266    HA   ILE  34           HA       ILE  34  -2.049 -12.804  -0.755
  267    HB   ILE  34           HB       ILE  34  -1.720 -10.531   1.205
  268   1HG1  ILE  34          2HG1      ILE  34  -3.613 -10.190  -0.282
  269   2HG1  ILE  34          1HG1      ILE  34  -2.297  -9.120  -0.753
  270   1HG2  ILE  34          1HG2      ILE  34  -0.143 -11.162  -1.288
  271   2HG2  ILE  34          2HG2      ILE  34   0.443 -11.305   0.369
  272   3HG2  ILE  34          3HG2      ILE  34   0.037  -9.719  -0.290
  273   1HD1  ILE  34          1HD1      ILE  34  -1.693 -10.698  -2.541
  274   2HD1  ILE  34          2HD1      ILE  34  -3.330 -10.059  -2.709
  275   3HD1  ILE  34          3HD1      ILE  34  -3.078 -11.693  -2.096
  276    H    SER  35           H        SER  35  -0.145 -13.821  -0.566
  277    HA   SER  35           HA       SER  35   0.500 -14.872   2.079
  278   1HB   SER  35          2HB       SER  35   0.108 -16.422   0.112
  279   2HB   SER  35          1HB       SER  35   1.603 -15.790  -0.580
  280    HG   SER  35           HG       SER  35   1.367 -17.035   1.970
  281    H    LYS  36           H        LYS  36   2.880 -15.271   2.408
  282    HA   LYS  36           HA       LYS  36   4.155 -12.810   2.710
  283   1HB   LYS  36          2HB       LYS  36   5.339 -15.588   2.803
  284   2HB   LYS  36          1HB       LYS  36   6.089 -14.136   3.456
  285   1HG   LYS  36          2HG       LYS  36   4.432 -13.917   5.130
  286   2HG   LYS  36          1HG       LYS  36   3.402 -15.124   4.358
  287   1HD   LYS  36          2HD       LYS  36   5.016 -16.856   4.849
  288   2HD   LYS  36          1HD       LYS  36   6.112 -15.668   5.557
  289   1HE   LYS  36          2HE       LYS  36   4.468 -15.167   7.281
  290   2HE   LYS  36          1HE       LYS  36   3.345 -16.320   6.559
  291   1HZ   LYS  36          1HZ       LYS  36   4.829 -18.103   7.060
  292   2HZ   LYS  36          2HZ       LYS  36   4.583 -17.209   8.479
  293   3HZ   LYS  36          3HZ       LYS  36   6.021 -17.035   7.613
  294    H    ASP  37           H        ASP  37   4.382 -15.191   0.158
  295    HA   ASP  37           HA       ASP  37   6.824 -14.356  -0.966
  296   1HB   ASP  37          2HB       ASP  37   5.758 -16.495  -1.561
  297   2HB   ASP  37          1HB       ASP  37   4.455 -15.620  -2.360
  298    H    ALA  38           H        ALA  38   3.479 -13.549  -1.858
  299    HA   ALA  38           HA       ALA  38   4.189 -11.636  -3.817
  300   1HB   ALA  38          1HB       ALA  38   1.840 -10.951  -3.729
  301   2HB   ALA  38          2HB       ALA  38   1.612 -11.917  -2.272
  302   3HB   ALA  38          3HB       ALA  38   1.998 -12.705  -3.802
  303    H    TRP  39           H        TRP  39   3.463 -11.434  -0.384
  304    HA   TRP  39           HA       TRP  39   3.342  -8.657  -0.086
  305   1HB   TRP  39          2HB       TRP  39   2.676 -10.286   1.642
  306   2HB   TRP  39          1HB       TRP  39   4.360 -10.734   1.864
  307    HD1  TRP  39           HD       TRP  39   5.625  -9.478   3.706
  308    HE1  TRP  39           1HE      TRP  39   5.166  -7.394   5.149
  309    HE3  TRP  39           3HE      TRP  39   1.382  -7.800   1.387
  310    HZ2  TRP  39           2HZ      TRP  39   3.269  -5.309   5.273
  311    HZ3  TRP  39           3HZ      TRP  39   0.315  -5.750   2.231
  312    HH2  TRP  39           HH       TRP  39   1.238  -4.531   4.136
  313    H    ALA  40           H        ALA  40   6.114 -10.852   0.335
  314    HA   ALA  40           HA       ALA  40   7.986  -8.766   0.824
  315   1HB   ALA  40          1HB       ALA  40   9.678 -10.511   0.601
  316   2HB   ALA  40          2HB       ALA  40   8.465 -11.613  -0.053
  317   3HB   ALA  40          3HB       ALA  40   8.337 -11.049   1.613
  318    H    GLN  41           H        GLN  41   6.945 -10.505  -2.034
  319    HA   GLN  41           HA       GLN  41   8.943  -9.627  -3.804
  320   1HB   GLN  41          2HB       GLN  41   7.380 -11.485  -4.274
  321   2HB   GLN  41          1HB       GLN  41   6.065 -10.328  -4.407
  322   1HG   GLN  41          2HG       GLN  41   7.284  -9.256  -6.288
  323   2HG   GLN  41          1HG       GLN  41   8.456 -10.571  -6.213
  324   1HE2  GLN  41          1HE2      GLN  41   5.240  -9.646  -7.050
  325   2HE2  GLN  41          2HE2      GLN  41   4.818 -11.080  -7.919
  326    H    TRP  42           H        TRP  42   5.653  -8.365  -3.222
  327    HA   TRP  42           HA       TRP  42   5.861  -6.291  -5.113
  328   1HB   TRP  42          2HB       TRP  42   3.687  -7.039  -4.384
  329   2HB   TRP  42          1HB       TRP  42   4.037  -6.577  -2.722
  330    HD1  TRP  42           HD       TRP  42   2.613  -4.548  -2.143
  331    HE1  TRP  42           1HE      TRP  42   1.980  -2.338  -3.293
  332    HE3  TRP  42           3HE      TRP  42   4.904  -5.282  -6.660
  333    HZ2  TRP  42           2HZ      TRP  42   2.384  -1.069  -5.781
  334    HZ3  TRP  42           3HZ      TRP  42   4.730  -3.520  -8.368
  335    HH2  TRP  42           HH       TRP  42   3.497  -1.461  -7.936
  336    H    GLN  43           H        GLN  43   6.326  -6.242  -1.567
  337    HA   GLN  43           HA       GLN  43   6.722  -3.455  -1.429
  338   1HB   GLN  43          2HB       GLN  43   7.640  -5.653   0.417
  339   2HB   GLN  43          1HB       GLN  43   7.889  -3.947   0.752
  340   1HG   GLN  43          2HG       GLN  43   5.315  -3.786   0.388
  341   2HG   GLN  43          1HG       GLN  43   5.361  -5.520   0.719
  342   1HE2  GLN  43          1HE2      GLN  43   6.098  -6.230   2.732
  343   2HE2  GLN  43          2HE2      GLN  43   6.105  -5.189   4.111
  344    H    HIS  44           H        HIS  44   9.027  -6.124  -1.800
  345    HA   HIS  44           HA       HIS  44  11.334  -4.486  -1.608
  346   1HB   HIS  44          2HB       HIS  44  11.270  -6.987  -1.308
  347   2HB   HIS  44          1HB       HIS  44  11.120  -7.132  -3.055
  348    HD1  HIS  44           1HD      HIS  44  13.320  -8.023  -3.769
  349    HD2  HIS  44           2HD      HIS  44  13.710  -4.900  -1.062
  350    HE1  HIS  44           1HE      HIS  44  15.786  -7.576  -3.609
  351    HE2  HIS  44           2HE      HIS  44  15.961  -5.521  -2.166
  352    H    LYS  45           H        LYS  45   9.395  -5.629  -4.321
  353    HA   LYS  45           HA       LYS  45  10.989  -4.556  -6.396
  354   1HB   LYS  45          2HB       LYS  45   8.916  -6.213  -6.394
  355   2HB   LYS  45          1HB       LYS  45   8.008  -4.731  -6.628
  356   1HG   LYS  45          2HG       LYS  45  10.247  -5.632  -8.425
  357   2HG   LYS  45          1HG       LYS  45   8.543  -5.969  -8.712
  358   1HD   LYS  45          2HD       LYS  45   8.167  -3.470  -8.648
  359   2HD   LYS  45          1HD       LYS  45   9.923  -3.295  -8.679
  360   1HE   LYS  45          2HE       LYS  45   8.263  -4.725 -10.754
  361   2HE   LYS  45          1HE       LYS  45   8.929  -3.103 -10.921
  362   1HZ   LYS  45          1HZ       LYS  45  11.146  -4.023 -10.808
  363   2HZ   LYS  45          2HZ       LYS  45  10.278  -4.797 -12.029
  364   3HZ   LYS  45          3HZ       LYS  45  10.531  -5.578 -10.557
  365    H    GLN  46           H        GLN  46   8.150  -3.320  -4.671
  366    HA   GLN  46           HA       GLN  46   7.937  -0.867  -5.997
  367   1HB   GLN  46          2HB       GLN  46   6.140  -1.795  -4.616
  368   2HB   GLN  46          1HB       GLN  46   7.130  -1.595  -3.175
  369   1HG   GLN  46          2HG       GLN  46   5.500   0.162  -3.291
  370   2HG   GLN  46          1HG       GLN  46   7.111   0.836  -3.522
  371   1HE2  GLN  46          1HE2      GLN  46   6.352   2.648  -4.576
  372   2HE2  GLN  46          2HE2      GLN  46   5.698   2.601  -6.175
  373    H    THR  47           H        THR  47   9.819  -1.823  -3.163
  374    HA   THR  47           HA       THR  47  10.725   0.691  -2.353
  375    HB   THR  47           HB       THR  47  12.243  -1.929  -2.282
  376    HG1  THR  47           1HG      THR  47  10.176  -1.911  -1.180
  377   1HG2  THR  47          1HG2      THR  47  13.700   0.021  -1.926
  378   2HG2  THR  47          2HG2      THR  47  13.510  -0.926  -0.449
  379   3HG2  THR  47          3HG2      THR  47  12.622   0.585  -0.648
  380    H    MET  48           H        MET  48  12.004  -1.530  -4.797
  381    HA   MET  48           HA       MET  48  14.208   0.090  -5.535
  382   1HB   MET  48          2HB       MET  48  14.107  -2.308  -6.030
  383   2HB   MET  48          1HB       MET  48  12.747  -2.038  -7.110
  384   1HG   MET  48          2HG       MET  48  14.111  -0.847  -8.652
  385   2HG   MET  48          1HG       MET  48  15.465  -0.823  -7.524
  386   1HE   MET  48          1HE       MET  48  13.886  -4.726  -9.420
  387   2HE   MET  48          2HE       MET  48  13.122  -3.157  -9.669
  388   3HE   MET  48          3HE       MET  48  13.098  -3.906  -8.073
  389    H    LEU  49           H        LEU  49  10.861  -0.075  -6.620
  390    HA   LEU  49           HA       LEU  49  11.102   1.659  -8.837
  391   1HB   LEU  49          2HB       LEU  49   8.716   1.302  -7.015
  392   2HB   LEU  49          1HB       LEU  49   8.688   1.991  -8.626
  393    HG   LEU  49           HG       LEU  49   9.304  -0.884  -7.930
  394   1HD1  LEU  49          1HD1      LEU  49   6.950   0.359  -9.351
  395   2HD1  LEU  49          2HD1      LEU  49   6.939  -0.292  -7.712
  396   3HD1  LEU  49          3HD1      LEU  49   7.212  -1.364  -9.084
  397   1HD2  LEU  49          1HD2      LEU  49   9.093   0.430 -10.633
  398   2HD2  LEU  49          2HD2      LEU  49   9.384  -1.280 -10.315
  399   3HD2  LEU  49          3HD2      LEU  49  10.595  -0.082  -9.865
  400    H    ILE  50           H        ILE  50  10.203   2.256  -5.467
  401    HA   ILE  50           HA       ILE  50   9.946   5.052  -5.610
  402    HB   ILE  50           HB       ILE  50  10.769   3.332  -3.257
  403   1HG1  ILE  50          2HG1      ILE  50   8.038   4.421  -3.970
  404   2HG1  ILE  50          1HG1      ILE  50   8.567   2.777  -4.320
  405   1HG2  ILE  50          1HG2      ILE  50  11.339   5.679  -2.900
  406   2HG2  ILE  50          2HG2      ILE  50  10.010   5.182  -1.855
  407   3HG2  ILE  50          3HG2      ILE  50   9.684   6.146  -3.294
  408   1HD1  ILE  50          1HD1      ILE  50   8.787   2.309  -1.963
  409   2HD1  ILE  50          2HD1      ILE  50   7.174   2.938  -2.302
  410   3HD1  ILE  50          3HD1      ILE  50   8.391   3.981  -1.569
  411    H    ASN  51           H        ASN  51  12.707   2.952  -5.094
  412    HA   ASN  51           HA       ASN  51  14.552   4.883  -4.232
  413   1HB   ASN  51          2HB       ASN  51  14.802   2.364  -4.115
  414   2HB   ASN  51          1HB       ASN  51  15.209   2.402  -5.826
  415   1HD2  ASN  51          1HD2      ASN  51  16.139   4.800  -3.428
  416   2HD2  ASN  51          2HD2      ASN  51  17.833   4.486  -3.514
  417    H    GLU  52           H        GLU  52  13.771   3.662  -7.459
  418    HA   GLU  52           HA       GLU  52  15.733   5.284  -8.767
  419   1HB   GLU  52          2HB       GLU  52  13.466   3.561  -9.726
  420   2HB   GLU  52          1HB       GLU  52  14.384   4.561 -10.839
  421   1HG   GLU  52          2HG       GLU  52  15.456   2.357  -9.095
  422   2HG   GLU  52          1HG       GLU  52  15.254   2.327 -10.848
  423    H    LYS  53           H        LYS  53  12.244   5.500  -8.264
  424    HA   LYS  53           HA       LYS  53  11.913   7.813  -9.891
  425   1HB   LYS  53          2HB       LYS  53  10.197   6.503  -7.796
  426   2HB   LYS  53          1HB       LYS  53   9.701   7.963  -8.640
  427   1HG   LYS  53          2HG       LYS  53   9.652   6.847 -10.730
  428   2HG   LYS  53          1HG       LYS  53  10.470   5.427 -10.067
  429   1HD   LYS  53          2HD       LYS  53   8.552   4.882  -8.728
  430   2HD   LYS  53          1HD       LYS  53   7.750   6.388  -9.179
  431   1HE   LYS  53          2HE       LYS  53   6.909   4.401 -10.396
  432   2HE   LYS  53          1HE       LYS  53   7.528   5.667 -11.450
  433   1HZ   LYS  53          1HZ       LYS  53   9.543   4.431 -11.756
  434   2HZ   LYS  53          2HZ       LYS  53   8.233   3.426 -12.110
  435   3HZ   LYS  53          3HZ       LYS  53   9.057   3.253 -10.647
  436    H    LYS  54           H        LYS  54  12.775   7.247  -6.584
  437    HA   LYS  54           HA       LYS  54  13.347   8.585  -4.851
  438   1HB   LYS  54          2HB       LYS  54  13.955  10.570  -7.060
  439   2HB   LYS  54          1HB       LYS  54  14.531  10.678  -5.401
  440   1HG   LYS  54          2HG       LYS  54  15.779   8.615  -5.674
  441   2HG   LYS  54          1HG       LYS  54  15.169   8.444  -7.319
  442   1HD   LYS  54          2HD       LYS  54  16.295  10.542  -7.930
  443   2HD   LYS  54          1HD       LYS  54  16.924  10.671  -6.285
  444   1HE   LYS  54          2HE       LYS  54  18.145   8.592  -6.567
  445   2HE   LYS  54          1HE       LYS  54  17.470   8.389  -8.182
  446   1HZ   LYS  54          1HZ       LYS  54  19.261  10.596  -7.316
  447   2HZ   LYS  54          2HZ       LYS  54  18.608  10.412  -8.865
  448   3HZ   LYS  54          3HZ       LYS  54  19.708   9.275  -8.272
  449    H    LEU  55           H        LEU  55  10.687   8.434  -5.277
  450    HA   LEU  55           HA       LEU  55   9.583  11.119  -5.258
  451   1HB   LEU  55          2HB       LEU  55   7.388   9.961  -5.203
  452   2HB   LEU  55          1HB       LEU  55   8.374   9.547  -6.588
  453    HG   LEU  55           HG       LEU  55   9.050   7.461  -5.177
  454   1HD1  LEU  55          1HD1      LEU  55   6.447   8.218  -3.860
  455   2HD1  LEU  55          2HD1      LEU  55   8.030   8.171  -3.080
  456   3HD1  LEU  55          3HD1      LEU  55   7.290   6.683  -3.674
  457   1HD2  LEU  55          1HD2      LEU  55   7.138   6.231  -6.070
  458   2HD2  LEU  55          2HD2      LEU  55   7.771   7.382  -7.248
  459   3HD2  LEU  55          3HD2      LEU  55   6.294   7.751  -6.356
  460    H    ASN  56           H        ASN  56   7.983  11.701  -3.573
  461    HA   ASN  56           HA       ASN  56   8.739  10.582  -0.954
  462   1HB   ASN  56          2HB       ASN  56   9.568  12.947  -1.499
  463   2HB   ASN  56          1HB       ASN  56   7.883  13.443  -1.421
  464   1HD2  ASN  56          1HD2      ASN  56  10.103  14.284   0.224
  465   2HD2  ASN  56          2HD2      ASN  56   9.689  13.889   1.855
  466    H    MET  57           H        MET  57   7.101  10.166   0.479
  467    HA   MET  57           HA       MET  57   4.432   9.980  -0.592
  468   1HB   MET  57          2HB       MET  57   5.768   9.077   1.930
  469   2HB   MET  57          1HB       MET  57   4.013   9.132   1.857
  470   1HG   MET  57          2HG       MET  57   4.804   6.914   1.355
  471   2HG   MET  57          1HG       MET  57   4.053   7.628  -0.069
  472   1HE   MET  57          1HE       MET  57   6.822   5.382  -1.634
  473   2HE   MET  57          2HE       MET  57   5.105   5.778  -1.597
  474   3HE   MET  57          3HE       MET  57   5.865   5.028  -0.194
  475    H    MET  58           H        MET  58   5.981  12.542   0.477
  476    HA   MET  58           HA       MET  58   4.442  13.689   2.489
  477   1HB   MET  58          2HB       MET  58   6.586  14.593   1.713
  478   2HB   MET  58          1HB       MET  58   5.851  15.037   0.178
  479   1HG   MET  58          2HG       MET  58   4.389  16.597   1.303
  480   2HG   MET  58          1HG       MET  58   5.056  16.125   2.862
  481   1HE   MET  58          1HE       MET  58   8.682  17.504   2.718
  482   2HE   MET  58          2HE       MET  58   8.168  15.872   2.296
  483   3HE   MET  58          3HE       MET  58   7.455  16.688   3.687
  484    H    ASN  59           H        ASN  59   3.929  13.573  -0.993
  485    HA   ASN  59           HA       ASN  59   1.528  15.202  -0.760
  486   1HB   ASN  59          2HB       ASN  59   2.959  14.014  -3.134
  487   2HB   ASN  59          1HB       ASN  59   1.413  14.840  -3.271
  488   1HD2  ASN  59          1HD2      ASN  59   2.090  16.520  -4.480
  489   2HD2  ASN  59          2HD2      ASN  59   3.203  17.731  -3.910
  490    H    ALA  60           H        ALA  60  -0.540  14.488  -1.147
  491    HA   ALA  60           HA       ALA  60  -1.100  11.804  -0.409
  492   1HB   ALA  60          1HB       ALA  60  -3.436  12.411  -0.713
  493   2HB   ALA  60          2HB       ALA  60  -2.955  13.889  -1.548
  494   3HB   ALA  60          3HB       ALA  60  -2.572  13.676   0.161
  495    H    GLU  61           H        GLU  61  -0.715  13.435  -3.416
  496    HA   GLU  61           HA       GLU  61  -2.025  11.823  -5.233
  497   1HB   GLU  61          2HB       GLU  61   0.706  13.096  -5.513
  498   2HB   GLU  61          1HB       GLU  61  -0.316  12.563  -6.842
  499   1HG   GLU  61          2HG       GLU  61  -1.781  14.300  -6.603
  500   2HG   GLU  61          1HG       GLU  61  -1.410  14.521  -4.895
  501    H    HIS  62           H        HIS  62   1.274  11.412  -3.960
  502    HA   HIS  62           HA       HIS  62   1.658   8.964  -5.413
  503   1HB   HIS  62          2HB       HIS  62   3.334  10.228  -3.231
  504   2HB   HIS  62          1HB       HIS  62   3.808   8.820  -4.176
  505    HD1  HIS  62           1HD      HIS  62   4.431   9.244  -6.700
  506    HD2  HIS  62           2HD      HIS  62   3.674  12.672  -4.469
  507    HE1  HIS  62           1HE      HIS  62   5.290  11.159  -8.084
  508    HE2  HIS  62           2HE      HIS  62   4.740  13.232  -6.755
  509    H    ARG  63           H        ARG  63   0.423   9.852  -2.321
  510    HA   ARG  63           HA       ARG  63   0.851   7.405  -0.958
  511   1HB   ARG  63          2HB       ARG  63  -1.313   9.477  -0.552
  512   2HB   ARG  63          1HB       ARG  63  -0.987   8.141   0.540
  513   1HG   ARG  63          2HG       ARG  63   1.251   9.044   0.963
  514   2HG   ARG  63          1HG       ARG  63   0.898  10.394  -0.118
  515   1HD   ARG  63          2HD       ARG  63  -1.029  10.974   1.347
  516   2HD   ARG  63          1HD       ARG  63  -0.507   9.715   2.463
  517    HE   ARG  63           HE       ARG  63   1.679  11.375   2.030
  518   1HH1  ARG  63          1HH1      ARG  63  -1.534  11.608   3.384
  519   2HH1  ARG  63          2HH1      ARG  63  -1.108  12.838   4.531
  520   1HH2  ARG  63          1HH2      ARG  63   2.252  13.017   3.515
  521   2HH2  ARG  63          2HH2      ARG  63   1.056  13.652   4.598
  522    H    LYS  64           H        LYS  64  -1.978   8.685  -2.706
  523    HA   LYS  64           HA       LYS  64  -3.515   6.324  -2.353
  524   1HB   LYS  64          2HB       LYS  64  -5.163   7.333  -3.672
  525   2HB   LYS  64          1HB       LYS  64  -4.352   8.694  -2.910
  526   1HG   LYS  64          2HG       LYS  64  -3.107   9.130  -4.942
  527   2HG   LYS  64          1HG       LYS  64  -3.830   7.714  -5.711
  528   1HD   LYS  64          2HD       LYS  64  -6.077   8.796  -5.294
  529   2HD   LYS  64          1HD       LYS  64  -5.190  10.258  -4.855
  530   1HE   LYS  64          2HE       LYS  64  -5.831  10.436  -7.155
  531   2HE   LYS  64          1HE       LYS  64  -4.089  10.181  -7.083
  532   1HZ   LYS  64          1HZ       LYS  64  -6.118   8.092  -7.665
  533   2HZ   LYS  64          2HZ       LYS  64  -4.447   7.845  -7.611
  534   3HZ   LYS  64          3HZ       LYS  64  -5.117   8.833  -8.809
  535    H    LEU  65           H        LEU  65  -1.251   7.410  -4.789
  536    HA   LEU  65           HA       LEU  65  -1.835   5.514  -6.779
  537   1HB   LEU  65          2HB       LEU  65  -0.405   7.471  -7.162
  538   2HB   LEU  65          1HB       LEU  65   0.808   6.801  -6.088
  539    HG   LEU  65           HG       LEU  65   1.137   4.918  -7.643
  540   1HD1  LEU  65          1HD1      LEU  65  -0.822   6.409  -9.380
  541   2HD1  LEU  65          2HD1      LEU  65  -1.057   4.819  -8.653
  542   3HD1  LEU  65          3HD1      LEU  65   0.170   5.046  -9.899
  543   1HD2  LEU  65          1HD2      LEU  65   2.253   6.194  -9.410
  544   2HD2  LEU  65          2HD2      LEU  65   2.560   6.871  -7.810
  545   3HD2  LEU  65          3HD2      LEU  65   1.401   7.646  -8.891
  546    H    LEU  66           H        LEU  66   0.438   5.433  -4.060
  547    HA   LEU  66           HA       LEU  66   1.507   2.891  -4.519
  548   1HB   LEU  66          2HB       LEU  66   2.469   4.455  -2.915
  549   2HB   LEU  66          1HB       LEU  66   1.036   4.342  -1.913
  550    HG   LEU  66           HG       LEU  66   1.548   1.947  -1.507
  551   1HD1  LEU  66          1HD1      LEU  66   2.816   1.433  -3.489
  552   2HD1  LEU  66          2HD1      LEU  66   3.811   1.135  -2.065
  553   3HD1  LEU  66          3HD1      LEU  66   4.067   2.587  -3.032
  554   1HD2  LEU  66          1HD2      LEU  66   3.732   3.895  -0.786
  555   2HD2  LEU  66          2HD2      LEU  66   3.443   2.341  -0.003
  556   3HD2  LEU  66          3HD2      LEU  66   2.234   3.623   0.103
  557    H    GLU  67           H        GLU  67  -1.305   3.902  -2.622
  558    HA   GLU  67           HA       GLU  67  -2.049   1.373  -1.664
  559   1HB   GLU  67          2HB       GLU  67  -2.937   3.437  -0.726
  560   2HB   GLU  67          1HB       GLU  67  -3.720   3.822  -2.251
  561   1HG   GLU  67          2HG       GLU  67  -5.199   1.909  -1.999
  562   2HG   GLU  67          1HG       GLU  67  -4.391   1.474  -0.494
  563    H    GLN  68           H        GLN  68  -3.170   3.183  -4.504
  564    HA   GLN  68           HA       GLN  68  -5.002   1.291  -5.444
  565   1HB   GLN  68          2HB       GLN  68  -3.463   3.505  -6.762
  566   2HB   GLN  68          1HB       GLN  68  -4.513   2.454  -7.702
  567   1HG   GLN  68          2HG       GLN  68  -6.417   3.089  -6.355
  568   2HG   GLN  68          1HG       GLN  68  -5.383   4.074  -5.321
  569   1HE2  GLN  68          1HE2      GLN  68  -7.711   4.767  -6.959
  570   2HE2  GLN  68          2HE2      GLN  68  -7.190   6.038  -8.003
  571    H    GLU  69           H        GLU  69  -1.596   1.794  -6.462
  572    HA   GLU  69           HA       GLU  69  -1.627  -0.380  -8.275
  573   1HB   GLU  69          2HB       GLU  69   0.701   0.997  -6.937
  574   2HB   GLU  69          1HB       GLU  69   0.863  -0.203  -8.212
  575   1HG   GLU  69          2HG       GLU  69  -0.730   1.402  -9.519
  576   2HG   GLU  69          1HG       GLU  69  -0.149   2.594  -8.357
  577    H    MET  70           H        MET  70  -0.996  -0.155  -4.860
  578    HA   MET  70           HA       MET  70   0.248  -2.637  -4.451
  579   1HB   MET  70          2HB       MET  70   0.060  -0.843  -2.748
  580   2HB   MET  70          1HB       MET  70  -1.656  -1.189  -2.600
  581   1HG   MET  70          2HG       MET  70  -1.161  -3.409  -1.771
  582   2HG   MET  70          1HG       MET  70   0.567  -3.121  -1.986
  583   1HE   MET  70          1HE       MET  70  -0.582  -4.156   0.726
  584   2HE   MET  70          2HE       MET  70   0.217  -3.116   1.904
  585   3HE   MET  70          3HE       MET  70   1.121  -3.752   0.529
  586    H    VAL  71           H        VAL  71  -3.186  -1.742  -4.258
  587    HA   VAL  71           HA       VAL  71  -4.144  -4.374  -3.856
  588    HB   VAL  71           HB       VAL  71  -5.605  -2.006  -5.051
  589   1HG1  VAL  71          1HG1      VAL  71  -6.677  -4.524  -3.777
  590   2HG1  VAL  71          2HG1      VAL  71  -6.750  -4.117  -5.489
  591   3HG1  VAL  71          3HG1      VAL  71  -7.643  -3.149  -4.316
  592   1HG2  VAL  71          1HG2      VAL  71  -4.704  -1.479  -2.858
  593   2HG2  VAL  71          2HG2      VAL  71  -5.416  -2.949  -2.192
  594   3HG2  VAL  71          3HG2      VAL  71  -6.458  -1.651  -2.776
  595    H    SER  72           H        SER  72  -3.456  -2.477  -6.721
  596    HA   SER  72           HA       SER  72  -4.749  -4.219  -8.558
  597   1HB   SER  72          2HB       SER  72  -4.296  -1.842  -9.046
  598   2HB   SER  72          1HB       SER  72  -2.568  -2.186  -9.066
  599    HG   SER  72           HG       SER  72  -3.260  -3.840 -10.744
  600    H    PHE  73           H        PHE  73  -1.738  -4.389  -6.923
  601    HA   PHE  73           HA       PHE  73  -0.679  -6.246  -8.920
  602   1HB   PHE  73          2HB       PHE  73   0.797  -4.428  -8.045
  603   2HB   PHE  73          1HB       PHE  73   0.699  -5.174  -6.452
  604    HD1  PHE  73           1HD      PHE  73   1.970  -5.548  -9.873
  605    HD2  PHE  73           2HD      PHE  73   1.940  -7.149  -5.930
  606    HE1  PHE  73           1HE      PHE  73   3.867  -7.000 -10.451
  607    HE2  PHE  73           2HE      PHE  73   3.839  -8.602  -6.503
  608    HZ   PHE  73           HZ       PHE  73   4.807  -8.530  -8.769
  609    H    LEU  74           H        LEU  74  -1.414  -6.085  -5.447
  610    HA   LEU  74           HA       LEU  74  -0.706  -8.809  -4.989
  611   1HB   LEU  74          2HB       LEU  74  -2.270  -6.842  -3.328
  612   2HB   LEU  74          1HB       LEU  74  -1.832  -8.450  -2.784
  613    HG   LEU  74           HG       LEU  74   0.138  -6.289  -3.542
  614   1HD1  LEU  74          1HD1      LEU  74   0.600  -6.162  -1.143
  615   2HD1  LEU  74          2HD1      LEU  74  -0.706  -7.305  -0.832
  616   3HD1  LEU  74          3HD1      LEU  74  -1.065  -5.718  -1.510
  617   1HD2  LEU  74          1HD2      LEU  74   1.781  -7.798  -2.475
  618   2HD2  LEU  74          2HD2      LEU  74   1.058  -8.488  -3.927
  619   3HD2  LEU  74          3HD2      LEU  74   0.525  -9.029  -2.335
  620    H    PHE  75           H        PHE  75  -3.824  -7.115  -5.268
  621    HA   PHE  75           HA       PHE  75  -5.202  -9.691  -5.239
  622   1HB   PHE  75          2HB       PHE  75  -6.273  -6.862  -5.244
  623   2HB   PHE  75          1HB       PHE  75  -7.277  -8.307  -5.204
  624    HD1  PHE  75           1HD      PHE  75  -4.996  -6.170  -3.308
  625    HD2  PHE  75           2HD      PHE  75  -7.444  -9.651  -3.200
  626    HE1  PHE  75           1HE      PHE  75  -4.848  -6.193  -0.853
  627    HE2  PHE  75           2HE      PHE  75  -7.299  -9.677  -0.746
  628    HZ   PHE  75           HZ       PHE  75  -5.999  -7.946   0.432
  629    H    GLU  76           H        GLU  76  -4.594  -6.934  -7.309
  630    HA   GLU  76           HA       GLU  76  -4.518  -6.687  -9.553
  631   1HB   GLU  76          2HB       GLU  76  -5.092  -9.649  -9.635
  632   2HB   GLU  76          1HB       GLU  76  -4.750  -8.668 -11.052
  633   1HG   GLU  76          2HG       GLU  76  -2.568  -8.060  -9.946
  634   2HG   GLU  76          1HG       GLU  76  -2.919  -9.328  -8.772
  635    H    GLY  77           H        GLY  77  -7.241  -8.729  -8.545
  636   1HA   GLY  77          2HA       GLY  77  -8.921  -7.816 -10.689
  637   2HA   GLY  77          1HA       GLY  77  -9.402  -8.834  -9.340
  638    H    LYS  78           H        LYS  78  -8.321  -5.478  -9.852
  639    HA   LYS  78           HA       LYS  78 -10.404  -4.620  -7.976
  640   1HB   LYS  78          2HB       LYS  78  -9.135  -2.405  -8.069
  641   2HB   LYS  78          1HB       LYS  78  -8.325  -3.744  -7.273
  642   1HG   LYS  78          2HG       LYS  78  -6.702  -2.625  -8.577
  643   2HG   LYS  78          1HG       LYS  78  -7.064  -4.133  -9.410
  644   1HD   LYS  78          2HD       LYS  78  -8.548  -2.917 -10.943
  645   2HD   LYS  78          1HD       LYS  78  -8.169  -1.413 -10.102
  646   1HE   LYS  78          2HE       LYS  78  -5.846  -1.594 -10.752
  647   2HE   LYS  78          1HE       LYS  78  -6.150  -3.158 -11.509
  648   1HZ   LYS  78          1HZ       LYS  78  -7.601  -2.071 -13.096
  649   2HZ   LYS  78          2HZ       LYS  78  -6.065  -1.370 -13.135
  650   3HZ   LYS  78          3HZ       LYS  78  -7.337  -0.570 -12.362
  651    H    ASP  79           H        ASP  79 -11.724  -2.764  -8.538
  652    HA   ASP  79           HA       ASP  79 -11.985  -2.394 -11.452
  653   1HB   ASP  79          2HB       ASP  79 -14.298  -1.858 -11.141
  654   2HB   ASP  79          1HB       ASP  79 -13.986  -3.329 -10.228
  655    H    VAL  80           H        VAL  80 -10.549  -1.066  -8.938
  656    HA   VAL  80           HA       VAL  80 -11.315   1.678  -9.167
  657    HB   VAL  80           HB       VAL  80  -8.778   0.507  -8.004
  658   1HG1  VAL  80          1HG1      VAL  80 -10.088   3.191  -7.568
  659   2HG1  VAL  80          2HG1      VAL  80  -8.620   2.896  -8.495
  660   3HG1  VAL  80          3HG1      VAL  80  -8.636   2.605  -6.755
  661   1HG2  VAL  80          1HG2      VAL  80  -9.919   0.704  -5.829
  662   2HG2  VAL  80          2HG2      VAL  80 -10.716  -0.444  -6.905
  663   3HG2  VAL  80          3HG2      VAL  80 -11.402   1.163  -6.668
  664    H    HIS  81           H        HIS  81 -10.771   3.000 -10.751
  665    HA   HIS  81           HA       HIS  81  -8.867   2.199 -12.757
  666   1HB   HIS  81          2HB       HIS  81 -10.693   4.561 -12.418
  667   2HB   HIS  81          1HB       HIS  81  -9.485   4.521 -13.696
  668    HD1  HIS  81           1HD      HIS  81 -10.221   3.534 -15.815
  669    HD2  HIS  81           2HD      HIS  81 -12.527   2.218 -12.609
  670    HE1  HIS  81           1HE      HIS  81 -12.032   2.097 -16.817
  671    HE2  HIS  81           2HE      HIS  81 -13.516   1.476 -14.879
  672    H    ILE  82           H        ILE  82  -6.767   2.421 -12.356
  673    HA   ILE  82           HA       ILE  82  -5.828   4.716 -10.814
  674    HB   ILE  82           HB       ILE  82  -4.083   2.593 -12.048
  675   1HG1  ILE  82          2HG1      ILE  82  -5.468   2.465  -9.360
  676   2HG1  ILE  82          1HG1      ILE  82  -5.860   1.467 -10.753
  677   1HG2  ILE  82          1HG2      ILE  82  -3.778   4.362  -9.623
  678   2HG2  ILE  82          2HG2      ILE  82  -2.949   4.548 -11.168
  679   3HG2  ILE  82          3HG2      ILE  82  -2.614   3.147 -10.148
  680   1HD1  ILE  82          1HD1      ILE  82  -3.226   1.468  -9.305
  681   2HD1  ILE  82          2HD1      ILE  82  -3.673   0.435 -10.662
  682   3HD1  ILE  82          3HD1      ILE  82  -4.505   0.271  -9.115
  683    H    GLU  83           H        GLU  83  -6.331   6.329 -12.314
  684    HA   GLU  83           HA       GLU  83  -4.533   6.481 -14.615
  685   1HB   GLU  83          2HB       GLU  83  -7.525   6.931 -14.757
  686   2HB   GLU  83          1HB       GLU  83  -6.392   7.250 -16.060
  687   1HG   GLU  83          2HG       GLU  83  -5.854   4.886 -16.202
  688   2HG   GLU  83          1HG       GLU  83  -6.926   4.546 -14.846
  689    H    GLY  84           H        GLY  84  -7.091   8.161 -12.809
  690   1HA   GLY  84          2HA       GLY  84  -5.730  10.693 -13.334
  691   2HA   GLY  84          1HA       GLY  84  -7.367  10.507 -12.724
  692    H    TYR  85           H        TYR  85  -4.731  11.861 -11.836
  693    HA   TYR  85           HA       TYR  85  -4.683  10.842  -9.096
  694   1HB   TYR  85          2HB       TYR  85  -2.787  12.428  -8.770
  695   2HB   TYR  85          1HB       TYR  85  -2.494  11.244 -10.035
  696    HD1  TYR  85           1HD      TYR  85  -2.325  11.914 -12.350
  697    HD2  TYR  85           2HD      TYR  85  -3.088  14.784  -9.306
  698    HE1  TYR  85           1HE      TYR  85  -1.762  13.719 -13.922
  699    HE2  TYR  85           2HE      TYR  85  -2.531  16.599 -10.867
  700    HH   TYR  85           HH       TYR  85  -1.221  16.918 -12.931
  701    H    THR  86           H        THR  86  -6.366  12.979 -10.933
  702    HA   THR  86           HA       THR  86  -6.781  15.057  -8.992
  703    HB   THR  86           HB       THR  86  -8.358  14.354 -11.475
  704    HG1  THR  86           1HG      THR  86  -6.205  16.165 -10.998
  705   1HG2  THR  86          1HG2      THR  86  -9.212  16.648 -11.335
  706   2HG2  THR  86          2HG2      THR  86  -8.340  16.880  -9.820
  707   3HG2  THR  86          3HG2      THR  86  -9.657  15.711  -9.909
  708    HA   PRO  87           HA       PRO  87  -9.655  12.496  -6.674
  709   1HB   PRO  87          2HB       PRO  87 -10.162  14.912  -5.098
  710   2HB   PRO  87          1HB       PRO  87  -9.458  13.373  -4.590
  711   1HG   PRO  87          2HG       PRO  87  -7.992  15.630  -4.790
  712   2HG   PRO  87          1HG       PRO  87  -7.317  14.026  -5.122
  713   1HD   PRO  87          2HD       PRO  87  -8.243  16.125  -7.047
  714   2HD   PRO  87          1HD       PRO  87  -6.816  15.071  -7.126
  715    H    GLU  88           H        GLU  88 -11.299  12.261  -8.169
  716    HA   GLU  88           HA       GLU  88 -13.305  14.359  -8.401
  717   1HB   GLU  88          2HB       GLU  88 -12.671  12.986 -10.380
  718   2HB   GLU  88          1HB       GLU  88 -13.275  11.557  -9.553
  719   1HG   GLU  88          2HG       GLU  88 -14.898  12.324 -11.150
  720   2HG   GLU  88          1HG       GLU  88 -15.519  12.541  -9.514
  721    H    ASP  89           H        ASP  89 -13.934  14.423  -6.204
  722    HA   ASP  89           HA       ASP  89 -15.099  11.961  -5.110
  723   1HB   ASP  89          2HB       ASP  89 -13.255  13.406  -3.919
  724   2HB   ASP  89          1HB       ASP  89 -14.622  14.422  -3.472
  725    H    LYS  90           H        LYS  90 -17.156  12.066  -4.041
  726    HA   LYS  90           HA       LYS  90 -18.864  14.111  -5.287
  727   1HB   LYS  90          2HB       LYS  90 -19.541  11.264  -4.522
  728   2HB   LYS  90          1HB       LYS  90 -20.696  12.428  -5.146
  729   1HG   LYS  90          2HG       LYS  90 -20.131  11.086  -6.973
  730   2HG   LYS  90          1HG       LYS  90 -19.208  12.570  -7.205
  731   1HD   LYS  90          2HD       LYS  90 -17.230  11.469  -6.238
  732   2HD   LYS  90          1HD       LYS  90 -18.162   9.981  -6.056
  733   1HE   LYS  90          2HE       LYS  90 -18.475   9.869  -8.469
  734   2HE   LYS  90          1HE       LYS  90 -17.588  11.381  -8.666
  735   1HZ   LYS  90          1HZ       LYS  90 -16.187   9.462  -9.109
  736   2HZ   LYS  90          2HZ       LYS  90 -16.476   8.864  -7.555
  737   3HZ   LYS  90          3HZ       LYS  90 -15.623  10.311  -7.756
  738    H    LYS  91           H        LYS  91 -18.967  11.873  -2.525
  739    HA   LYS  91           HA       LYS  91 -20.401  13.936  -0.999
  740   1HB   LYS  91          2HB       LYS  91 -20.338  10.930  -0.657
  741   2HB   LYS  91          1HB       LYS  91 -21.163  12.035   0.432
  742   1HG   LYS  91          2HG       LYS  91 -22.692  12.696  -1.283
  743   2HG   LYS  91          1HG       LYS  91 -21.785  11.799  -2.502
  744   1HD   LYS  91          2HD       LYS  91 -23.150  10.543  -0.120
  745   2HD   LYS  91          1HD       LYS  91 -23.854  10.646  -1.733
  746   1HE   LYS  91          2HE       LYS  91 -21.953   9.368  -2.627
  747   2HE   LYS  91          1HE       LYS  91 -21.296   9.229  -1.001
  748   1HZ   LYS  91          1HZ       LYS  91 -23.928   8.171  -1.857
  749   2HZ   LYS  91          2HZ       LYS  91 -23.224   7.979  -0.333
  750   3HZ   LYS  91          3HZ       LYS  91 -22.522   7.248  -1.687
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  -2.737 -26.692  10.515
    2   2H    MET   1          2HT       MET   1  -2.216 -28.007  11.436
    3   3H    MET   1          3HT       MET   1  -1.260 -27.439  10.168
    4    HA   MET   1           HA       MET   1  -1.909 -26.002  12.667
    5   1HB   MET   1          2HB       MET   1   0.710 -27.130  11.652
    6   2HB   MET   1          1HB       MET   1   0.504 -26.197  13.126
    7   1HG   MET   1          2HG       MET   1  -0.682 -28.899  12.549
    8   2HG   MET   1          1HG       MET   1   0.675 -28.557  13.616
    9   1HE   MET   1          1HE       MET   1   0.475 -27.247  15.903
   10   2HE   MET   1          2HE       MET   1  -1.029 -26.566  16.517
   11   3HE   MET   1          3HE       MET   1  -0.276 -25.880  15.079
   12    H    SER   2           H        SER   2  -0.613 -25.904   9.416
   13    HA   SER   2           HA       SER   2   0.461 -23.256   9.682
   14   1HB   SER   2          2HB       SER   2  -0.143 -24.803   7.152
   15   2HB   SER   2          1HB       SER   2   0.966 -23.441   7.328
   16    HG   SER   2           HG       SER   2   2.229 -24.763   8.724
   17    H    ARG   3           H        ARG   3  -0.556 -21.370   9.291
   18    HA   ARG   3           HA       ARG   3  -3.402 -21.413   8.783
   19   1HB   ARG   3          2HB       ARG   3  -2.525 -19.862  10.448
   20   2HB   ARG   3          1HB       ARG   3  -1.462 -19.138   9.254
   21   1HG   ARG   3          2HG       ARG   3  -3.335 -17.685   9.674
   22   2HG   ARG   3          1HG       ARG   3  -3.426 -18.308   8.028
   23   1HD   ARG   3          2HD       ARG   3  -4.899 -19.643  10.272
   24   2HD   ARG   3          1HD       ARG   3  -5.575 -18.234   9.459
   25    HE   ARG   3           HE       ARG   3  -4.992 -19.855   7.397
   26   1HH1  ARG   3          1HH1      ARG   3  -6.744 -20.376  10.382
   27   2HH1  ARG   3          2HH1      ARG   3  -7.765 -21.608   9.712
   28   1HH2  ARG   3          1HH2      ARG   3  -6.354 -21.452   6.506
   29   2HH2  ARG   3          2HH2      ARG   3  -7.542 -22.223   7.512
   30    H    THR   4           H        THR   4  -3.622 -22.118   6.694
   31    HA   THR   4           HA       THR   4  -2.333 -20.522   4.602
   32    HB   THR   4           HB       THR   4  -2.975 -22.390   3.077
   33    HG1  THR   4           1HG      THR   4  -4.320 -23.829   3.795
   34   1HG2  THR   4          1HG2      THR   4  -0.739 -22.325   4.072
   35   2HG2  THR   4          2HG2      THR   4  -1.306 -23.987   3.899
   36   3HG2  THR   4          3HG2      THR   4  -1.335 -23.204   5.479
   37    H    ILE   5           H        ILE   5  -3.530 -19.778   2.839
   38    HA   ILE   5           HA       ILE   5  -6.450 -19.746   3.087
   39    HB   ILE   5           HB       ILE   5  -6.370 -17.280   2.428
   40   1HG1  ILE   5          2HG1      ILE   5  -4.314 -16.115   3.449
   41   2HG1  ILE   5          1HG1      ILE   5  -3.528 -17.686   3.345
   42   1HG2  ILE   5          1HG2      ILE   5  -6.196 -16.538   4.763
   43   2HG2  ILE   5          2HG2      ILE   5  -5.481 -18.092   5.193
   44   3HG2  ILE   5          3HG2      ILE   5  -7.141 -18.017   4.601
   45   1HD1  ILE   5          1HD1      ILE   5  -4.651 -16.138   1.024
   46   2HD1  ILE   5          2HD1      ILE   5  -3.819 -17.690   0.937
   47   3HD1  ILE   5          3HD1      ILE   5  -2.948 -16.250   1.467
   48    H    PHE   6           H        PHE   6  -7.401 -18.666   1.036
   49    HA   PHE   6           HA       PHE   6  -5.981 -19.751  -1.265
   50   1HB   PHE   6          2HB       PHE   6  -8.769 -18.601  -1.003
   51   2HB   PHE   6          1HB       PHE   6  -8.089 -19.245  -2.496
   52    HD1  PHE   6           1HD      PHE   6  -7.432 -21.667  -2.581
   53    HD2  PHE   6           2HD      PHE   6  -9.735 -20.023   0.598
   54    HE1  PHE   6           1HE      PHE   6  -8.168 -23.928  -1.952
   55    HE2  PHE   6           2HE      PHE   6 -10.470 -22.284   1.237
   56    HZ   PHE   6           HZ       PHE   6  -9.686 -24.239  -0.038
   57    H    CYS   7           H        CYS   7  -4.397 -18.412  -1.824
   58    HA   CYS   7           HA       CYS   7  -4.577 -15.575  -1.636
   59   1HB   CYS   7          2HB       CYS   7  -2.437 -16.758  -1.421
   60   2HB   CYS   7          1HB       CYS   7  -2.572 -17.323  -3.081
   61    HG   CYS   7           HG       CYS   7  -2.548 -13.983  -2.443
   62    H    THR   8           H        THR   8  -5.030 -14.077  -3.170
   63    HA   THR   8           HA       THR   8  -6.611 -14.805  -5.387
   64    HB   THR   8           HB       THR   8  -6.097 -12.313  -6.027
   65    HG1  THR   8           1HG      THR   8  -5.180 -11.136  -4.386
   66   1HG2  THR   8          1HG2      THR   8  -7.496 -13.014  -3.441
   67   2HG2  THR   8          2HG2      THR   8  -8.209 -13.109  -5.051
   68   3HG2  THR   8          3HG2      THR   8  -7.737 -11.545  -4.385
   69    H    TYR   9           H        TYR   9  -3.264 -13.701  -5.131
   70    HA   TYR   9           HA       TYR   9  -2.806 -13.583  -7.930
   71   1HB   TYR   9          2HB       TYR   9  -1.529 -12.236  -6.330
   72   2HB   TYR   9          1HB       TYR   9  -0.838 -13.695  -5.633
   73    HD1  TYR   9           1HD      TYR   9  -1.115 -11.947  -8.929
   74    HD2  TYR   9           2HD      TYR   9   1.259 -14.362  -6.351
   75    HE1  TYR   9           1HE      TYR   9   0.757 -11.796 -10.519
   76    HE2  TYR   9           2HE      TYR   9   3.132 -14.222  -7.936
   77    HH   TYR   9           HH       TYR   9   3.539 -13.784 -10.264
   78    H    LEU  10           H        LEU  10  -2.452 -16.133  -5.551
   79    HA   LEU  10           HA       LEU  10  -0.948 -17.755  -7.465
   80   1HB   LEU  10          2HB       LEU  10  -1.630 -18.299  -4.576
   81   2HB   LEU  10          1HB       LEU  10  -0.610 -19.303  -5.587
   82    HG   LEU  10           HG       LEU  10   0.008 -16.453  -4.794
   83   1HD1  LEU  10          1HD1      LEU  10   1.735 -17.435  -3.376
   84   2HD1  LEU  10          2HD1      LEU  10   1.182 -19.052  -3.812
   85   3HD1  LEU  10          3HD1      LEU  10   0.128 -17.978  -2.893
   86   1HD2  LEU  10          1HD2      LEU  10   2.236 -16.959  -5.728
   87   2HD2  LEU  10          2HD2      LEU  10   0.961 -17.006  -6.945
   88   3HD2  LEU  10          3HD2      LEU  10   1.620 -18.510  -6.302
   89    H    GLN  11           H        GLN  11  -4.108 -17.427  -6.120
   90    HA   GLN  11           HA       GLN  11  -6.083 -18.489  -6.462
   91   1HB   GLN  11          2HB       GLN  11  -4.549 -19.540  -8.828
   92   2HB   GLN  11          1HB       GLN  11  -6.218 -20.001  -8.525
   93   1HG   GLN  11          2HG       GLN  11  -5.237 -17.181  -8.920
   94   2HG   GLN  11          1HG       GLN  11  -6.018 -18.176 -10.148
   95   1HE2  GLN  11          1HE2      GLN  11  -6.448 -16.277  -7.299
   96   2HE2  GLN  11          2HE2      GLN  11  -8.178 -16.279  -7.302
   97    H    ARG  12           H        ARG  12  -3.878 -19.729  -4.867
   98    HA   ARG  12           HA       ARG  12  -4.996 -22.434  -4.706
   99   1HB   ARG  12          2HB       ARG  12  -2.062 -21.717  -4.744
  100   2HB   ARG  12          1HB       ARG  12  -2.673 -23.271  -4.203
  101   1HG   ARG  12          2HG       ARG  12  -3.600 -23.698  -6.407
  102   2HG   ARG  12          1HG       ARG  12  -3.032 -22.120  -6.959
  103   1HD   ARG  12          2HD       ARG  12  -0.755 -22.758  -6.684
  104   2HD   ARG  12          1HD       ARG  12  -1.209 -24.241  -5.846
  105    HE   ARG  12           HE       ARG  12  -2.313 -24.144  -8.464
  106   1HH1  ARG  12          1HH1      ARG  12   0.672 -24.724  -6.740
  107   2HH1  ARG  12          2HH1      ARG  12   1.287 -25.828  -7.927
  108   1HH2  ARG  12          1HH2      ARG  12  -1.499 -25.586 -10.032
  109   2HH2  ARG  12          2HH2      ARG  12   0.059 -26.315  -9.796
  110    H    ASP  13           H        ASP  13  -4.324 -23.528  -2.667
  111    HA   ASP  13           HA       ASP  13  -4.636 -21.764  -0.405
  112   1HB   ASP  13          2HB       ASP  13  -5.796 -23.902  -0.398
  113   2HB   ASP  13          1HB       ASP  13  -4.277 -24.763  -0.608
  114    H    ALA  14           H        ALA  14  -2.936 -20.645   0.232
  115    HA   ALA  14           HA       ALA  14  -0.331 -21.986   0.498
  116   1HB   ALA  14          1HB       ALA  14  -0.309 -20.728  -1.601
  117   2HB   ALA  14          2HB       ALA  14   0.795 -20.023  -0.422
  118   3HB   ALA  14          3HB       ALA  14  -0.766 -19.264  -0.728
  119    H    GLU  15           H        GLU  15   1.205 -20.242   1.665
  120    HA   GLU  15           HA       GLU  15   0.349 -19.993   4.284
  121   1HB   GLU  15          2HB       GLU  15   2.482 -18.619   2.692
  122   2HB   GLU  15          1HB       GLU  15   2.193 -18.155   4.360
  123   1HG   GLU  15          2HG       GLU  15   2.626 -21.022   3.665
  124   2HG   GLU  15          1HG       GLU  15   4.001 -19.923   3.795
  125    H    GLY  16           H        GLY  16  -0.945 -18.633   5.331
  126   1HA   GLY  16          2HA       GLY  16  -2.068 -16.387   3.847
  127   2HA   GLY  16          1HA       GLY  16  -2.698 -17.068   5.340
  128    H    GLN  17           H        GLN  17   0.514 -15.907   4.470
  129    HA   GLN  17           HA       GLN  17   1.915 -14.411   5.423
  130   1HB   GLN  17          2HB       GLN  17  -0.681 -13.146   5.248
  131   2HB   GLN  17          1HB       GLN  17   0.228 -12.505   6.600
  132   1HG   GLN  17          2HG       GLN  17   1.332 -12.682   3.813
  133   2HG   GLN  17          1HG       GLN  17   0.454 -11.283   4.418
  134   1HE2  GLN  17          1HE2      GLN  17   2.657 -13.178   6.399
  135   2HE2  GLN  17          2HE2      GLN  17   3.858 -11.953   6.545
  136    H    ASP  18           H        ASP  18   1.328 -12.752   7.762
  137    HA   ASP  18           HA       ASP  18   1.418 -14.826   9.839
  138   1HB   ASP  18          2HB       ASP  18   2.725 -12.092   9.788
  139   2HB   ASP  18          1HB       ASP  18   2.753 -13.190  11.162
  140    H    PHE  19           H        PHE  19   1.116 -13.198  12.052
  141    HA   PHE  19           HA       PHE  19  -1.704 -12.507  11.774
  142   1HB   PHE  19          2HB       PHE  19   0.031 -12.926  14.214
  143   2HB   PHE  19          1HB       PHE  19  -1.667 -12.459  14.280
  144    HD1  PHE  19           1HD      PHE  19  -3.411 -14.031  13.763
  145    HD2  PHE  19           2HD      PHE  19   0.686 -15.155  13.501
  146    HE1  PHE  19           1HE      PHE  19  -4.073 -16.395  13.637
  147    HE2  PHE  19           2HE      PHE  19   0.030 -17.521  13.378
  148    HZ   PHE  19           HZ       PHE  19  -2.352 -18.144  13.444
  149    H    GLN  20           H        GLN  20  -2.241 -10.680  13.581
  150    HA   GLN  20           HA       GLN  20  -1.343  -8.253  12.509
  151   1HB   GLN  20          2HB       GLN  20  -2.987  -9.053  14.843
  152   2HB   GLN  20          1HB       GLN  20  -2.276  -7.446  14.902
  153   1HG   GLN  20          2HG       GLN  20  -4.520  -7.385  13.983
  154   2HG   GLN  20          1HG       GLN  20  -3.329  -6.884  12.788
  155   1HE2  GLN  20          1HE2      GLN  20  -4.548  -7.356  11.026
  156   2HE2  GLN  20          2HE2      GLN  20  -4.959  -8.967  10.565
  157    H    LEU  21           H        LEU  21   0.826  -8.042  12.495
  158    HA   LEU  21           HA       LEU  21   2.152  -7.881  15.109
  159   1HB   LEU  21          2HB       LEU  21   4.268  -7.947  13.594
  160   2HB   LEU  21          1HB       LEU  21   3.406  -9.423  13.963
  161    HG   LEU  21           HG       LEU  21   2.255  -9.212  11.734
  162   1HD1  LEU  21          1HD1      LEU  21   4.356  -7.106  11.254
  163   2HD1  LEU  21          2HD1      LEU  21   2.615  -6.834  11.349
  164   3HD1  LEU  21          3HD1      LEU  21   3.285  -7.806  10.039
  165   1HD2  LEU  21          1HD2      LEU  21   4.179 -10.045  10.478
  166   2HD2  LEU  21          2HD2      LEU  21   4.103 -10.743  12.095
  167   3HD2  LEU  21          3HD2      LEU  21   5.257  -9.457  11.743
  168    H    TYR  22           H        TYR  22   0.747  -6.002  12.845
  169    HA   TYR  22           HA       TYR  22   1.661  -3.587  13.914
  170   1HB   TYR  22          2HB       TYR  22   3.719  -3.985  12.693
  171   2HB   TYR  22          1HB       TYR  22   2.832  -4.258  11.205
  172    HD1  TYR  22           1HD      TYR  22   2.220  -2.455   9.805
  173    HD2  TYR  22           2HD      TYR  22   3.733  -1.676  13.703
  174    HE1  TYR  22           1HE      TYR  22   2.412  -0.071   9.247
  175    HE2  TYR  22           2HE      TYR  22   3.925   0.714  13.157
  176    HH   TYR  22           HH       TYR  22   4.155   2.126  11.167
  177    HA   PRO  23           HA       PRO  23  -1.466  -2.656  10.509
  178   1HB   PRO  23          2HB       PRO  23  -2.038  -4.331   8.519
  179   2HB   PRO  23          1HB       PRO  23  -0.566  -3.354   8.487
  180   1HG   PRO  23          2HG       PRO  23  -0.907  -6.244   9.154
  181   2HG   PRO  23          1HG       PRO  23   0.393  -5.447   8.251
  182   1HD   PRO  23          2HD       PRO  23   0.496  -6.177  10.939
  183   2HD   PRO  23          1HD       PRO  23   1.565  -5.009  10.144
  184    H    GLY  24           H        GLY  24  -3.676  -2.796  10.674
  185   1HA   GLY  24          2HA       GLY  24  -4.651  -5.092  12.233
  186   2HA   GLY  24          1HA       GLY  24  -5.354  -3.482  12.241
  187    H    GLU  25           H        GLU  25  -6.852  -2.914  10.695
  188    HA   GLU  25           HA       GLU  25  -8.310  -5.122   9.648
  189   1HB   GLU  25          2HB       GLU  25  -9.871  -3.420   8.785
  190   2HB   GLU  25          1HB       GLU  25  -9.503  -3.216  10.489
  191   1HG   GLU  25          2HG       GLU  25  -7.957  -1.408   9.939
  192   2HG   GLU  25          1HG       GLU  25  -8.325  -1.622   8.226
  193    H    LEU  26           H        LEU  26  -6.277  -2.632   8.159
  194    HA   LEU  26           HA       LEU  26  -6.848  -3.439   5.490
  195   1HB   LEU  26          2HB       LEU  26  -5.922  -1.221   6.040
  196   2HB   LEU  26          1HB       LEU  26  -4.440  -1.983   6.589
  197    HG   LEU  26           HG       LEU  26  -4.035  -2.810   4.295
  198   1HD1  LEU  26          1HD1      LEU  26  -5.367  -1.906   2.445
  199   2HD1  LEU  26          2HD1      LEU  26  -6.470  -1.172   3.608
  200   3HD1  LEU  26          3HD1      LEU  26  -6.330  -2.926   3.512
  201   1HD2  LEU  26          1HD2      LEU  26  -3.049  -0.702   5.051
  202   2HD2  LEU  26          2HD2      LEU  26  -4.467   0.169   4.473
  203   3HD2  LEU  26          3HD2      LEU  26  -3.419  -0.664   3.328
  204    H    GLY  27           H        GLY  27  -4.415  -4.254   7.878
  205   1HA   GLY  27          2HA       GLY  27  -2.743  -5.854   6.309
  206   2HA   GLY  27          1HA       GLY  27  -2.964  -6.015   8.045
  207    H    LYS  28           H        LYS  28  -5.486  -6.856   8.375
  208    HA   LYS  28           HA       LYS  28  -5.229  -9.584   7.715
  209   1HB   LYS  28          2HB       LYS  28  -7.477  -9.866   8.686
  210   2HB   LYS  28          1HB       LYS  28  -6.411  -8.928   9.716
  211   1HG   LYS  28          2HG       LYS  28  -7.494  -6.875   9.004
  212   2HG   LYS  28          1HG       LYS  28  -8.538  -7.790   7.916
  213   1HD   LYS  28          2HD       LYS  28  -9.706  -7.237   9.988
  214   2HD   LYS  28          1HD       LYS  28  -9.491  -8.980   9.833
  215   1HE   LYS  28          2HE       LYS  28  -7.540  -8.849  11.332
  216   2HE   LYS  28          1HE       LYS  28  -7.813  -7.117  11.509
  217   1HZ   LYS  28          1HZ       LYS  28  -9.992  -7.621  12.459
  218   2HZ   LYS  28          2HZ       LYS  28  -8.741  -8.313  13.364
  219   3HZ   LYS  28          3HZ       LYS  28  -9.672  -9.279  12.334
  220    H    ARG  29           H        ARG  29  -7.032  -6.971   6.183
  221    HA   ARG  29           HA       ARG  29  -8.673  -8.569   4.559
  222   1HB   ARG  29          2HB       ARG  29  -9.052  -6.151   4.816
  223   2HB   ARG  29          1HB       ARG  29  -7.563  -5.823   3.937
  224   1HG   ARG  29          2HG       ARG  29  -8.490  -6.871   1.945
  225   2HG   ARG  29          1HG       ARG  29  -9.969  -7.253   2.821
  226   1HD   ARG  29          2HD       ARG  29 -10.409  -4.863   3.118
  227   2HD   ARG  29          1HD       ARG  29  -8.920  -4.480   2.249
  228    HE   ARG  29           HE       ARG  29 -10.492  -6.146   0.637
  229   1HH1  ARG  29          1HH1      ARG  29 -10.614  -2.885   1.916
  230   2HH1  ARG  29          2HH1      ARG  29 -11.494  -2.264   0.559
  231   1HH2  ARG  29          1HH2      ARG  29 -11.684  -5.338  -1.109
  232   2HH2  ARG  29          2HH2      ARG  29 -12.127  -3.660  -1.151
  233    H    ILE  30           H        ILE  30  -5.377  -7.400   4.126
  234    HA   ILE  30           HA       ILE  30  -5.201  -8.520   1.467
  235    HB   ILE  30           HB       ILE  30  -2.992  -7.388   3.193
  236   1HG1  ILE  30          2HG1      ILE  30  -4.623  -6.038   1.025
  237   2HG1  ILE  30          1HG1      ILE  30  -4.830  -5.770   2.752
  238   1HG2  ILE  30          1HG2      ILE  30  -1.844  -7.065   1.016
  239   2HG2  ILE  30          2HG2      ILE  30  -3.142  -7.972   0.240
  240   3HG2  ILE  30          3HG2      ILE  30  -2.105  -8.759   1.430
  241   1HD1  ILE  30          1HD1      ILE  30  -2.559  -4.881   2.878
  242   2HD1  ILE  30          2HD1      ILE  30  -3.555  -3.981   1.734
  243   3HD1  ILE  30          3HD1      ILE  30  -2.366  -5.144   1.145
  244    H    TYR  31           H        TYR  31  -3.896  -9.273   4.673
  245    HA   TYR  31           HA       TYR  31  -2.130 -11.296   3.965
  246   1HB   TYR  31          2HB       TYR  31  -3.657 -10.754   6.498
  247   2HB   TYR  31          1HB       TYR  31  -2.557 -12.118   6.364
  248    HD1  TYR  31           1HD      TYR  31  -1.322 -11.121   8.271
  249    HD2  TYR  31           2HD      TYR  31  -1.642  -9.116   4.535
  250    HE1  TYR  31           1HE      TYR  31   0.578  -9.685   8.885
  251    HE2  TYR  31           2HE      TYR  31   0.253  -7.671   5.140
  252    HH   TYR  31           HH       TYR  31   2.344  -8.330   7.633
  253    H    ASN  32           H        ASN  32  -5.604 -11.486   4.491
  254    HA   ASN  32           HA       ASN  32  -5.679 -14.328   4.697
  255   1HB   ASN  32          2HB       ASN  32  -7.755 -12.198   4.379
  256   2HB   ASN  32          1HB       ASN  32  -8.200 -13.880   4.118
  257   1HD2  ASN  32          1HD2      ASN  32  -7.160 -11.517   6.429
  258   2HD2  ASN  32          2HD2      ASN  32  -7.492 -12.466   7.840
  259    H    GLU  33           H        GLU  33  -5.008 -12.427   2.073
  260    HA   GLU  33           HA       GLU  33  -5.722 -14.628   0.275
  261   1HB   GLU  33          2HB       GLU  33  -6.280 -11.719  -0.347
  262   2HB   GLU  33          1HB       GLU  33  -6.506 -13.071  -1.451
  263   1HG   GLU  33          2HG       GLU  33  -8.138 -14.028   0.157
  264   2HG   GLU  33          1HG       GLU  33  -7.993 -12.556   1.110
  265    H    ILE  34           H        ILE  34  -3.292 -13.140   1.581
  266    HA   ILE  34           HA       ILE  34  -1.671 -13.213  -0.856
  267    HB   ILE  34           HB       ILE  34  -1.804 -10.959   1.122
  268   1HG1  ILE  34          2HG1      ILE  34  -3.129 -10.851  -0.953
  269   2HG1  ILE  34          1HG1      ILE  34  -1.899  -9.596  -0.890
  270   1HG2  ILE  34          1HG2      ILE  34   0.546 -11.608   1.053
  271   2HG2  ILE  34          2HG2      ILE  34   0.291 -10.062   0.243
  272   3HG2  ILE  34          3HG2      ILE  34   0.522 -11.526  -0.709
  273   1HD1  ILE  34          1HD1      ILE  34  -1.803 -12.145  -2.487
  274   2HD1  ILE  34          2HD1      ILE  34  -0.467 -11.003  -2.346
  275   3HD1  ILE  34          3HD1      ILE  34  -1.981 -10.502  -3.103
  276    H    SER  35           H        SER  35  -0.041 -14.533  -0.644
  277    HA   SER  35           HA       SER  35   0.708 -15.609   1.901
  278   1HB   SER  35          2HB       SER  35   2.019 -16.034  -0.791
  279   2HB   SER  35          1HB       SER  35   2.130 -17.081   0.626
  280    HG   SER  35           HG       SER  35  -0.237 -17.251   0.419
  281    H    LYS  36           H        LYS  36   3.044 -15.759   2.508
  282    HA   LYS  36           HA       LYS  36   4.030 -13.187   3.024
  283   1HB   LYS  36          2HB       LYS  36   5.546 -15.804   3.175
  284   2HB   LYS  36          1HB       LYS  36   5.990 -14.301   3.972
  285   1HG   LYS  36          2HG       LYS  36   3.874 -14.414   5.252
  286   2HG   LYS  36          1HG       LYS  36   3.564 -15.992   4.529
  287   1HD   LYS  36          2HD       LYS  36   5.667 -16.826   5.505
  288   2HD   LYS  36          1HD       LYS  36   5.922 -15.250   6.261
  289   1HE   LYS  36          2HE       LYS  36   3.694 -15.558   7.394
  290   2HE   LYS  36          1HE       LYS  36   3.705 -17.217   6.799
  291   1HZ   LYS  36          1HZ       LYS  36   4.530 -17.076   9.060
  292   2HZ   LYS  36          2HZ       LYS  36   5.746 -16.005   8.586
  293   3HZ   LYS  36          3HZ       LYS  36   5.753 -17.600   8.020
  294    H    ASP  37           H        ASP  37   4.767 -15.504   0.516
  295    HA   ASP  37           HA       ASP  37   7.161 -14.345  -0.420
  296   1HB   ASP  37          2HB       ASP  37   5.139 -15.920  -2.024
  297   2HB   ASP  37          1HB       ASP  37   6.830 -15.659  -2.438
  298    H    ALA  38           H        ALA  38   3.789 -13.935  -1.424
  299    HA   ALA  38           HA       ALA  38   4.340 -12.154  -3.555
  300   1HB   ALA  38          1HB       ALA  38   1.932 -11.714  -3.547
  301   2HB   ALA  38          2HB       ALA  38   1.783 -12.549  -2.000
  302   3HB   ALA  38          3HB       ALA  38   2.271 -13.441  -3.441
  303    H    TRP  39           H        TRP  39   3.488 -11.695  -0.160
  304    HA   TRP  39           HA       TRP  39   3.194  -8.895  -0.229
  305   1HB   TRP  39          2HB       TRP  39   2.400 -10.271   1.642
  306   2HB   TRP  39          1HB       TRP  39   4.059 -10.689   2.054
  307    HD1  TRP  39           HD       TRP  39   5.501  -8.879   3.354
  308    HE1  TRP  39           1HE      TRP  39   4.864  -6.734   4.622
  309    HE3  TRP  39           3HE      TRP  39   0.739  -8.273   1.588
  310    HZ2  TRP  39           2HZ      TRP  39   2.642  -5.011   4.843
  311    HZ3  TRP  39           3HZ      TRP  39  -0.569  -6.346   2.383
  312    HH2  TRP  39           HH       TRP  39   0.358  -4.752   3.974
  313    H    ALA  40           H        ALA  40   5.980 -10.935   0.627
  314    HA   ALA  40           HA       ALA  40   7.740  -8.808   1.200
  315   1HB   ALA  40          1HB       ALA  40   9.510 -10.475   1.100
  316   2HB   ALA  40          2HB       ALA  40   8.414 -11.612   0.313
  317   3HB   ALA  40          3HB       ALA  40   8.115 -11.102   1.975
  318    H    GLN  41           H        GLN  41   7.012 -10.565  -1.754
  319    HA   GLN  41           HA       GLN  41   9.123  -9.527  -3.312
  320   1HB   GLN  41          2HB       GLN  41   7.817 -11.550  -3.891
  321   2HB   GLN  41          1HB       GLN  41   6.419 -10.539  -4.216
  322   1HG   GLN  41          2HG       GLN  41   8.972 -10.062  -5.690
  323   2HG   GLN  41          1HG       GLN  41   7.909 -11.383  -6.166
  324   1HE2  GLN  41          1HE2      GLN  41   8.648  -8.957  -7.616
  325   2HE2  GLN  41          2HE2      GLN  41   7.163  -8.153  -7.975
  326    H    TRP  42           H        TRP  42   5.709  -8.503  -2.984
  327    HA   TRP  42           HA       TRP  42   5.973  -6.435  -4.900
  328   1HB   TRP  42          2HB       TRP  42   3.783  -7.387  -4.323
  329   2HB   TRP  42          1HB       TRP  42   3.910  -6.693  -2.706
  330    HD1  TRP  42           HD       TRP  42   2.697  -4.455  -2.454
  331    HE1  TRP  42           1HE      TRP  42   2.029  -2.527  -4.024
  332    HE3  TRP  42           3HE      TRP  42   4.698  -6.215  -6.819
  333    HZ2  TRP  42           2HZ      TRP  42   2.299  -1.845  -6.741
  334    HZ3  TRP  42           3HZ      TRP  42   4.445  -4.862  -8.860
  335    HH2  TRP  42           HH       TRP  42   3.270  -2.725  -8.821
  336    H    GLN  43           H        GLN  43   6.292  -6.484  -1.368
  337    HA   GLN  43           HA       GLN  43   6.608  -3.692  -1.085
  338   1HB   GLN  43          2HB       GLN  43   7.516  -6.005   0.605
  339   2HB   GLN  43          1HB       GLN  43   7.940  -4.350   1.014
  340   1HG   GLN  43          2HG       GLN  43   5.435  -3.871   0.888
  341   2HG   GLN  43          1HG       GLN  43   5.234  -5.623   0.941
  342   1HE2  GLN  43          1HE2      GLN  43   4.478  -3.540   2.872
  343   2HE2  GLN  43          2HE2      GLN  43   5.240  -3.977   4.360
  344    H    HIS  44           H        HIS  44   8.908  -6.282  -1.767
  345    HA   HIS  44           HA       HIS  44  11.250  -4.709  -1.682
  346   1HB   HIS  44          2HB       HIS  44  11.183  -7.221  -1.757
  347   2HB   HIS  44          1HB       HIS  44  10.730  -7.107  -3.456
  348    HD1  HIS  44           1HD      HIS  44  12.609  -7.006  -5.096
  349    HD2  HIS  44           2HD      HIS  44  13.838  -6.093  -1.231
  350    HE1  HIS  44           1HE      HIS  44  15.109  -6.796  -5.213
  351    HE2  HIS  44           2HE      HIS  44  15.803  -6.061  -2.909
  352    H    LYS  45           H        LYS  45   9.020  -5.540  -4.282
  353    HA   LYS  45           HA       LYS  45  10.251  -4.182  -6.386
  354   1HB   LYS  45          2HB       LYS  45   8.401  -5.749  -6.706
  355   2HB   LYS  45          1HB       LYS  45   7.312  -4.660  -5.861
  356   1HG   LYS  45          2HG       LYS  45   6.888  -4.410  -8.172
  357   2HG   LYS  45          1HG       LYS  45   7.761  -2.971  -7.650
  358   1HD   LYS  45          2HD       LYS  45   8.667  -3.682  -9.752
  359   2HD   LYS  45          1HD       LYS  45   9.859  -4.018  -8.494
  360   1HE   LYS  45          2HE       LYS  45   9.190  -6.352  -8.449
  361   2HE   LYS  45          1HE       LYS  45   7.926  -6.035  -9.635
  362   1HZ   LYS  45          1HZ       LYS  45  10.843  -5.768 -10.091
  363   2HZ   LYS  45          2HZ       LYS  45   9.644  -5.432 -11.231
  364   3HZ   LYS  45          3HZ       LYS  45   9.859  -7.010 -10.671
  365    H    GLN  46           H        GLN  46   7.649  -3.075  -4.226
  366    HA   GLN  46           HA       GLN  46   7.357  -0.528  -5.327
  367   1HB   GLN  46          2HB       GLN  46   5.779  -1.682  -3.739
  368   2HB   GLN  46          1HB       GLN  46   6.882  -1.254  -2.436
  369   1HG   GLN  46          2HG       GLN  46   5.105   0.347  -2.504
  370   2HG   GLN  46          1HG       GLN  46   6.598   1.125  -3.029
  371   1HE2  GLN  46          1HE2      GLN  46   5.551   2.730  -4.182
  372   2HE2  GLN  46          2HE2      GLN  46   4.710   2.420  -5.659
  373    H    THR  47           H        THR  47   9.453  -1.668  -2.710
  374    HA   THR  47           HA       THR  47  10.425   0.802  -1.844
  375    HB   THR  47           HB       THR  47  11.934  -1.822  -1.963
  376    HG1  THR  47           1HG      THR  47  10.024  -2.052  -0.773
  377   1HG2  THR  47          1HG2      THR  47  12.356   0.618  -0.234
  378   2HG2  THR  47          2HG2      THR  47  13.412   0.082  -1.542
  379   3HG2  THR  47          3HG2      THR  47  13.231  -0.906  -0.093
  380    H    MET  48           H        MET  48  11.541  -1.302  -4.482
  381    HA   MET  48           HA       MET  48  13.739   0.292  -5.256
  382   1HB   MET  48          2HB       MET  48  13.455  -2.038  -6.004
  383   2HB   MET  48          1HB       MET  48  12.050  -1.565  -6.948
  384   1HG   MET  48          2HG       MET  48  14.633  -0.193  -7.472
  385   2HG   MET  48          1HG       MET  48  14.427  -1.844  -8.051
  386   1HE   MET  48          1HE       MET  48  11.507  -1.544 -10.578
  387   2HE   MET  48          2HE       MET  48  11.427  -2.061  -8.893
  388   3HE   MET  48          3HE       MET  48  12.774  -2.570  -9.909
  389    H    LEU  49           H        LEU  49  10.354   0.229  -6.292
  390    HA   LEU  49           HA       LEU  49  10.491   2.175  -8.288
  391   1HB   LEU  49          2HB       LEU  49   8.329   1.122  -6.537
  392   2HB   LEU  49          1HB       LEU  49   8.022   2.630  -7.373
  393    HG   LEU  49           HG       LEU  49   8.419   1.523  -9.530
  394   1HD1  LEU  49          1HD1      LEU  49   9.996  -0.185  -8.819
  395   2HD1  LEU  49          2HD1      LEU  49   8.618  -0.909  -9.650
  396   3HD1  LEU  49          3HD1      LEU  49   8.730  -0.985  -7.891
  397   1HD2  LEU  49          1HD2      LEU  49   6.156   1.634  -8.666
  398   2HD2  LEU  49          2HD2      LEU  49   6.403   0.135  -7.769
  399   3HD2  LEU  49          3HD2      LEU  49   6.405   0.119  -9.531
  400    H    ILE  50           H        ILE  50   9.987   2.521  -4.799
  401    HA   ILE  50           HA       ILE  50   9.435   5.262  -4.743
  402    HB   ILE  50           HB       ILE  50  10.794   3.558  -2.647
  403   1HG1  ILE  50          2HG1      ILE  50   7.912   4.434  -2.957
  404   2HG1  ILE  50          1HG1      ILE  50   8.532   2.820  -3.290
  405   1HG2  ILE  50          1HG2      ILE  50  11.263   5.917  -2.266
  406   2HG2  ILE  50          2HG2      ILE  50  10.148   5.295  -1.049
  407   3HG2  ILE  50          3HG2      ILE  50   9.542   6.288  -2.376
  408   1HD1  ILE  50          1HD1      ILE  50   9.113   2.543  -0.947
  409   2HD1  ILE  50          2HD1      ILE  50   7.403   2.938  -1.133
  410   3HD1  ILE  50          3HD1      ILE  50   8.542   4.175  -0.603
  411    H    ASN  51           H        ASN  51  12.547   3.562  -4.626
  412    HA   ASN  51           HA       ASN  51  14.075   5.945  -4.202
  413   1HB   ASN  51          2HB       ASN  51  14.845   3.137  -4.981
  414   2HB   ASN  51          1HB       ASN  51  16.032   4.433  -4.872
  415   1HD2  ASN  51          1HD2      ASN  51  13.915   2.330  -3.126
  416   2HD2  ASN  51          2HD2      ASN  51  14.522   2.692  -1.547
  417    H    GLU  52           H        GLU  52  13.103   4.114  -7.020
  418    HA   GLU  52           HA       GLU  52  14.853   5.520  -8.804
  419   1HB   GLU  52          2HB       GLU  52  12.546   3.635  -9.256
  420   2HB   GLU  52          1HB       GLU  52  13.503   4.321 -10.561
  421   1HG   GLU  52          2HG       GLU  52  14.657   2.701  -8.306
  422   2HG   GLU  52          1HG       GLU  52  14.181   2.027  -9.863
  423    H    LYS  53           H        LYS  53  11.442   5.713  -7.947
  424    HA   LYS  53           HA       LYS  53  10.907   7.803  -9.854
  425   1HB   LYS  53          2HB       LYS  53   9.292   6.722  -7.544
  426   2HB   LYS  53          1HB       LYS  53   8.708   7.931  -8.677
  427   1HG   LYS  53          2HG       LYS  53   8.846   6.368 -10.500
  428   2HG   LYS  53          1HG       LYS  53   9.604   5.162  -9.455
  429   1HD   LYS  53          2HD       LYS  53   7.571   5.070  -8.093
  430   2HD   LYS  53          1HD       LYS  53   6.817   6.283  -9.128
  431   1HE   LYS  53          2HE       LYS  53   7.753   3.556 -10.013
  432   2HE   LYS  53          1HE       LYS  53   6.083   4.004  -9.680
  433   1HZ   LYS  53          1HZ       LYS  53   6.492   4.088 -12.023
  434   2HZ   LYS  53          2HZ       LYS  53   7.815   5.118 -11.814
  435   3HZ   LYS  53          3HZ       LYS  53   6.254   5.667 -11.463
  436    H    LYS  54           H        LYS  54  12.202   7.604  -6.730
  437    HA   LYS  54           HA       LYS  54  12.850   9.099  -5.162
  438   1HB   LYS  54          2HB       LYS  54  12.662  11.049  -7.463
  439   2HB   LYS  54          1HB       LYS  54  13.470  11.361  -5.933
  440   1HG   LYS  54          2HG       LYS  54  15.033   9.536  -6.394
  441   2HG   LYS  54          1HG       LYS  54  14.227   9.251  -7.939
  442   1HD   LYS  54          2HD       LYS  54  14.801  11.526  -8.646
  443   2HD   LYS  54          1HD       LYS  54  15.620  11.792  -7.106
  444   1HE   LYS  54          2HE       LYS  54  17.164   9.963  -7.619
  445   2HE   LYS  54          1HE       LYS  54  16.350   9.715  -9.163
  446   1HZ   LYS  54          1HZ       LYS  54  17.769  12.192  -8.345
  447   2HZ   LYS  54          2HZ       LYS  54  17.008  11.937  -9.832
  448   3HZ   LYS  54          3HZ       LYS  54  18.365  11.026  -9.411
  449    H    LEU  55           H        LEU  55  10.472   8.521  -4.572
  450    HA   LEU  55           HA       LEU  55   8.985  11.044  -4.347
  451   1HB   LEU  55          2HB       LEU  55   6.928   9.727  -4.187
  452   2HB   LEU  55          1HB       LEU  55   7.764   9.457  -5.701
  453    HG   LEU  55           HG       LEU  55   8.735   7.361  -4.379
  454   1HD1  LEU  55          1HD1      LEU  55   7.011   6.368  -2.948
  455   2HD1  LEU  55          2HD1      LEU  55   6.066   7.853  -3.062
  456   3HD1  LEU  55          3HD1      LEU  55   7.643   7.868  -2.272
  457   1HD2  LEU  55          1HD2      LEU  55   6.986   6.019  -5.397
  458   2HD2  LEU  55          2HD2      LEU  55   7.473   7.322  -6.483
  459   3HD2  LEU  55          3HD2      LEU  55   5.967   7.448  -5.574
  460    H    ASN  56           H        ASN  56   8.333  11.730  -2.393
  461    HA   ASN  56           HA       ASN  56   8.998  10.024  -0.085
  462   1HB   ASN  56          2HB       ASN  56  10.411  12.055  -0.239
  463   2HB   ASN  56          1HB       ASN  56   8.963  13.055  -0.208
  464   1HD2  ASN  56          1HD2      ASN  56   7.957  13.455   1.728
  465   2HD2  ASN  56          2HD2      ASN  56   8.574  12.920   3.252
  466    H    MET  57           H        MET  57   7.506   9.973   1.644
  467    HA   MET  57           HA       MET  57   4.794  10.282   0.758
  468   1HB   MET  57          2HB       MET  57   5.896   9.370   3.417
  469   2HB   MET  57          1HB       MET  57   4.198   9.322   2.960
  470   1HG   MET  57          2HG       MET  57   6.451   7.805   1.670
  471   2HG   MET  57          1HG       MET  57   5.177   7.144   2.692
  472   1HE   MET  57          1HE       MET  57   6.012   6.053  -0.200
  473   2HE   MET  57          2HE       MET  57   4.439   5.742  -0.931
  474   3HE   MET  57          3HE       MET  57   4.732   5.299   0.750
  475    H    MET  58           H        MET  58   5.070  12.612   0.475
  476    HA   MET  58           HA       MET  58   4.189  13.999   2.914
  477   1HB   MET  58          2HB       MET  58   5.324  16.039   2.095
  478   2HB   MET  58          1HB       MET  58   6.450  14.741   2.457
  479   1HG   MET  58          2HG       MET  58   6.486  14.207   0.017
  480   2HG   MET  58          1HG       MET  58   5.524  15.659  -0.250
  481   1HE   MET  58          1HE       MET  58   7.384  16.530  -1.954
  482   2HE   MET  58          2HE       MET  58   8.350  15.085  -1.652
  483   3HE   MET  58          3HE       MET  58   9.091  16.679  -1.537
  484    H    ASN  59           H        ASN  59   3.815  13.325  -0.418
  485    HA   ASN  59           HA       ASN  59   1.473  15.097  -0.550
  486   1HB   ASN  59          2HB       ASN  59   3.359  15.646  -2.152
  487   2HB   ASN  59          1HB       ASN  59   3.085  14.080  -2.905
  488   1HD2  ASN  59          1HD2      ASN  59   2.876  16.719  -4.069
  489   2HD2  ASN  59          2HD2      ASN  59   1.252  16.879  -4.642
  490    H    ALA  60           H        ALA  60  -0.431  14.125  -0.842
  491    HA   ALA  60           HA       ALA  60  -0.700  11.348  -0.554
  492   1HB   ALA  60          1HB       ALA  60  -2.759  13.335  -1.499
  493   2HB   ALA  60          2HB       ALA  60  -2.397  12.944   0.183
  494   3HB   ALA  60          3HB       ALA  60  -3.082  11.716  -0.881
  495    H    GLU  61           H        GLU  61  -0.258  13.275  -3.372
  496    HA   GLU  61           HA       GLU  61  -1.452  11.754  -5.356
  497   1HB   GLU  61          2HB       GLU  61   1.113  13.343  -5.382
  498   2HB   GLU  61          1HB       GLU  61   0.414  12.631  -6.831
  499   1HG   GLU  61          2HG       GLU  61  -0.955  14.633  -5.050
  500   2HG   GLU  61          1HG       GLU  61  -0.142  15.006  -6.570
  501    H    HIS  62           H        HIS  62   1.645  11.236  -3.728
  502    HA   HIS  62           HA       HIS  62   2.242   9.001  -5.482
  503   1HB   HIS  62          2HB       HIS  62   3.785  10.170  -3.159
  504   2HB   HIS  62          1HB       HIS  62   4.338   8.811  -4.137
  505    HD1  HIS  62           1HD      HIS  62   4.739   9.357  -6.734
  506    HD2  HIS  62           2HD      HIS  62   4.342  12.641  -4.212
  507    HE1  HIS  62           1HE      HIS  62   5.565  11.324  -8.054
  508    HE2  HIS  62           2HE      HIS  62   5.105  13.317  -6.593
  509    H    ARG  63           H        ARG  63   0.801   9.576  -2.430
  510    HA   ARG  63           HA       ARG  63   1.056   6.916  -1.416
  511   1HB   ARG  63          2HB       ARG  63   0.613   8.603   0.193
  512   2HB   ARG  63          1HB       ARG  63  -0.729   9.248  -0.736
  513   1HG   ARG  63          2HG       ARG  63  -1.516   8.076   1.232
  514   2HG   ARG  63          1HG       ARG  63  -2.046   7.259  -0.237
  515   1HD   ARG  63          2HD       ARG  63  -1.337   5.588   1.295
  516   2HD   ARG  63          1HD       ARG  63  -0.117   5.696   0.032
  517    HE   ARG  63           HE       ARG  63   0.999   7.250   1.831
  518   1HH1  ARG  63          1HH1      ARG  63  -0.748   4.268   2.356
  519   2HH1  ARG  63          2HH1      ARG  63   0.178   3.815   3.753
  520   1HH2  ARG  63          1HH2      ARG  63   2.238   6.654   3.692
  521   2HH2  ARG  63          2HH2      ARG  63   1.889   5.154   4.494
  522    H    LYS  64           H        LYS  64  -1.415   8.695  -3.253
  523    HA   LYS  64           HA       LYS  64  -3.270   6.564  -3.331
  524   1HB   LYS  64          2HB       LYS  64  -4.487   7.815  -4.937
  525   2HB   LYS  64          1HB       LYS  64  -3.784   8.986  -3.836
  526   1HG   LYS  64          2HG       LYS  64  -2.005   9.423  -5.491
  527   2HG   LYS  64          1HG       LYS  64  -2.800   8.306  -6.600
  528   1HD   LYS  64          2HD       LYS  64  -4.849   9.740  -6.433
  529   2HD   LYS  64          1HD       LYS  64  -3.889  10.906  -5.522
  530   1HE   LYS  64          2HE       LYS  64  -2.302  10.960  -7.473
  531   2HE   LYS  64          1HE       LYS  64  -3.482  10.005  -8.370
  532   1HZ   LYS  64          1HZ       LYS  64  -3.805  12.291  -8.894
  533   2HZ   LYS  64          2HZ       LYS  64  -3.848  12.735  -7.259
  534   3HZ   LYS  64          3HZ       LYS  64  -5.110  11.811  -7.921
  535    H    LEU  65           H        LEU  65  -0.638   7.528  -5.503
  536    HA   LEU  65           HA       LEU  65  -1.101   5.643  -7.523
  537   1HB   LEU  65          2HB       LEU  65   1.072   7.398  -6.718
  538   2HB   LEU  65          1HB       LEU  65   1.666   5.885  -7.371
  539    HG   LEU  65           HG       LEU  65   1.535   7.564  -9.118
  540   1HD1  LEU  65          1HD1      LEU  65  -0.626   5.488  -9.446
  541   2HD1  LEU  65          2HD1      LEU  65   1.099   5.223  -9.697
  542   3HD1  LEU  65          3HD1      LEU  65   0.217   6.337 -10.742
  543   1HD2  LEU  65          1HD2      LEU  65  -0.608   8.508  -9.821
  544   2HD2  LEU  65          2HD2      LEU  65  -0.219   8.964  -8.161
  545   3HD2  LEU  65          3HD2      LEU  65  -1.410   7.700  -8.474
  546    H    LEU  66           H        LEU  66   0.981   5.430  -4.653
  547    HA   LEU  66           HA       LEU  66   1.894   2.828  -5.001
  548   1HB   LEU  66          2HB       LEU  66   2.833   4.309  -3.327
  549   2HB   LEU  66          1HB       LEU  66   1.308   4.368  -2.469
  550    HG   LEU  66           HG       LEU  66   2.573   1.693  -2.766
  551   1HD1  LEU  66          1HD1      LEU  66   4.011   2.097  -0.829
  552   2HD1  LEU  66          2HD1      LEU  66   3.573   3.804  -0.861
  553   3HD1  LEU  66          3HD1      LEU  66   4.479   3.101  -2.201
  554   1HD2  LEU  66          1HD2      LEU  66   0.438   1.936  -1.617
  555   2HD2  LEU  66          2HD2      LEU  66   1.145   3.124  -0.524
  556   3HD2  LEU  66          3HD2      LEU  66   1.696   1.449  -0.480
  557    H    GLU  67           H        GLU  67  -1.054   4.008  -3.434
  558    HA   GLU  67           HA       GLU  67  -1.960   1.509  -2.502
  559   1HB   GLU  67          2HB       GLU  67  -2.795   3.716  -1.719
  560   2HB   GLU  67          1HB       GLU  67  -3.600   3.929  -3.265
  561   1HG   GLU  67          2HG       GLU  67  -5.040   2.056  -2.833
  562   2HG   GLU  67          1HG       GLU  67  -4.168   1.685  -1.347
  563    H    GLN  68           H        GLN  68  -2.684   3.328  -5.459
  564    HA   GLN  68           HA       GLN  68  -4.555   1.606  -6.575
  565   1HB   GLN  68          2HB       GLN  68  -2.493   3.352  -7.920
  566   2HB   GLN  68          1HB       GLN  68  -3.791   2.535  -8.777
  567   1HG   GLN  68          2HG       GLN  68  -5.447   3.800  -7.564
  568   2HG   GLN  68          1HG       GLN  68  -4.194   4.548  -6.576
  569   1HE2  GLN  68          1HE2      GLN  68  -5.693   4.439  -9.704
  570   2HE2  GLN  68          2HE2      GLN  68  -5.002   5.897 -10.313
  571    H    GLU  69           H        GLU  69  -1.024   1.634  -7.065
  572    HA   GLU  69           HA       GLU  69  -1.038  -0.620  -8.789
  573   1HB   GLU  69          2HB       GLU  69   1.239   0.567  -7.188
  574   2HB   GLU  69          1HB       GLU  69   1.412  -0.600  -8.493
  575   1HG   GLU  69          2HG       GLU  69   0.326   1.055 -10.012
  576   2HG   GLU  69          1HG       GLU  69   0.395   2.224  -8.694
  577    H    MET  70           H        MET  70  -0.477  -0.239  -5.318
  578    HA   MET  70           HA       MET  70   0.370  -2.869  -4.797
  579   1HB   MET  70          2HB       MET  70   0.677  -1.112  -3.157
  580   2HB   MET  70          1HB       MET  70  -1.061  -0.911  -2.994
  581   1HG   MET  70          2HG       MET  70  -1.262  -3.122  -2.033
  582   2HG   MET  70          1HG       MET  70   0.459  -3.410  -2.275
  583   1HE   MET  70          1HE       MET  70   2.356  -2.311  -0.916
  584   2HE   MET  70          2HE       MET  70   2.131  -1.035   0.282
  585   3HE   MET  70          3HE       MET  70   1.823  -0.708  -1.423
  586    H    VAL  71           H        VAL  71  -2.881  -1.427  -4.531
  587    HA   VAL  71           HA       VAL  71  -4.161  -3.823  -3.757
  588    HB   VAL  71           HB       VAL  71  -5.288  -1.353  -5.091
  589   1HG1  VAL  71          1HG1      VAL  71  -6.733  -3.313  -5.492
  590   2HG1  VAL  71          2HG1      VAL  71  -7.491  -2.123  -4.434
  591   3HG1  VAL  71          3HG1      VAL  71  -6.803  -3.596  -3.752
  592   1HG2  VAL  71          1HG2      VAL  71  -6.099  -0.830  -2.836
  593   2HG2  VAL  71          2HG2      VAL  71  -4.340  -0.952  -2.890
  594   3HG2  VAL  71          3HG2      VAL  71  -5.297  -2.275  -2.220
  595    H    SER  72           H        SER  72  -3.379  -2.458  -6.903
  596    HA   SER  72           HA       SER  72  -5.071  -4.163  -8.402
  597   1HB   SER  72          2HB       SER  72  -4.013  -1.992  -9.190
  598   2HB   SER  72          1HB       SER  72  -2.517  -2.899  -9.404
  599    HG   SER  72           HG       SER  72  -3.377  -3.982 -11.056
  600    H    PHE  73           H        PHE  73  -1.756  -4.482  -7.245
  601    HA   PHE  73           HA       PHE  73  -1.327  -6.872  -8.816
  602   1HB   PHE  73          2HB       PHE  73   0.531  -5.297  -8.424
  603   2HB   PHE  73          1HB       PHE  73   0.426  -5.612  -6.695
  604    HD1  PHE  73           1HD      PHE  73   1.279  -7.088  -9.965
  605    HD2  PHE  73           2HD      PHE  73   1.406  -7.555  -5.736
  606    HE1  PHE  73           1HE      PHE  73   2.840  -8.975 -10.224
  607    HE2  PHE  73           2HE      PHE  73   2.966  -9.440  -5.987
  608    HZ   PHE  73           HZ       PHE  73   3.687 -10.151  -8.233
  609    H    LEU  74           H        LEU  74  -1.396  -6.121  -5.322
  610    HA   LEU  74           HA       LEU  74  -1.165  -8.864  -4.591
  611   1HB   LEU  74          2HB       LEU  74  -1.933  -6.432  -2.982
  612   2HB   LEU  74          1HB       LEU  74  -1.689  -8.023  -2.290
  613    HG   LEU  74           HG       LEU  74   0.420  -6.392  -3.711
  614   1HD1  LEU  74          1HD1      LEU  74  -0.178  -5.446  -1.550
  615   2HD1  LEU  74          2HD1      LEU  74   1.424  -6.180  -1.492
  616   3HD1  LEU  74          3HD1      LEU  74   0.045  -7.020  -0.786
  617   1HD2  LEU  74          1HD2      LEU  74   0.783  -8.779  -4.009
  618   2HD2  LEU  74          2HD2      LEU  74   0.598  -9.042  -2.275
  619   3HD2  LEU  74          3HD2      LEU  74   1.969  -8.114  -2.885
  620    H    PHE  75           H        PHE  75  -3.866  -6.563  -4.347
  621    HA   PHE  75           HA       PHE  75  -5.676  -8.619  -3.483
  622   1HB   PHE  75          2HB       PHE  75  -5.850  -6.269  -2.703
  623   2HB   PHE  75          1HB       PHE  75  -6.239  -5.774  -4.346
  624    HD1  PHE  75           1HD      PHE  75  -7.419  -7.934  -1.569
  625    HD2  PHE  75           2HD      PHE  75  -8.439  -5.766  -5.086
  626    HE1  PHE  75           1HE      PHE  75  -9.804  -8.332  -1.118
  627    HE2  PHE  75           2HE      PHE  75 -10.827  -6.155  -4.639
  628    HZ   PHE  75           HZ       PHE  75 -11.512  -7.440  -2.652
  629    H    GLU  76           H        GLU  76  -5.113  -6.740  -6.404
  630    HA   GLU  76           HA       GLU  76  -5.721  -6.980  -8.559
  631   1HB   GLU  76          2HB       GLU  76  -4.741  -9.224  -8.332
  632   2HB   GLU  76          1HB       GLU  76  -6.297  -9.848  -7.800
  633   1HG   GLU  76          2HG       GLU  76  -5.947 -10.394 -10.118
  634   2HG   GLU  76          1HG       GLU  76  -7.270  -9.240  -9.966
  635    H    GLY  77           H        GLY  77  -7.416  -5.603  -8.554
  636   1HA   GLY  77          2HA       GLY  77  -9.767  -6.010  -9.558
  637   2HA   GLY  77          1HA       GLY  77 -10.081  -6.680  -7.963
  638    H    LYS  78           H        LYS  78  -8.335  -3.788  -9.087
  639    HA   LYS  78           HA       LYS  78  -9.790  -2.233  -7.104
  640   1HB   LYS  78          2HB       LYS  78  -8.198  -0.375  -7.907
  641   2HB   LYS  78          1HB       LYS  78  -7.524  -1.703  -6.977
  642   1HG   LYS  78          2HG       LYS  78  -6.010  -1.260  -8.721
  643   2HG   LYS  78          1HG       LYS  78  -6.839  -2.748  -9.156
  644   1HD   LYS  78          2HD       LYS  78  -8.316  -1.451 -10.651
  645   2HD   LYS  78          1HD       LYS  78  -7.418   0.010 -10.238
  646   1HE   LYS  78          2HE       LYS  78  -5.396  -0.927 -11.183
  647   2HE   LYS  78          1HE       LYS  78  -6.222  -2.448 -11.515
  648   1HZ   LYS  78          1HZ       LYS  78  -7.682  -1.265 -13.043
  649   2HZ   LYS  78          2HZ       LYS  78  -6.063  -1.099 -13.497
  650   3HZ   LYS  78          3HZ       LYS  78  -6.860   0.182 -12.739
  651    H    ASP  79           H        ASP  79 -11.080  -0.483  -7.579
  652    HA   ASP  79           HA       ASP  79 -12.112  -0.425 -10.304
  653   1HB   ASP  79          2HB       ASP  79 -13.135   0.554  -7.660
  654   2HB   ASP  79          1HB       ASP  79 -13.796   1.212  -9.152
  655    H    VAL  80           H        VAL  80  -9.850   1.170  -8.480
  656    HA   VAL  80           HA       VAL  80 -10.327   3.837  -9.440
  657    HB   VAL  80           HB       VAL  80  -7.791   2.787  -8.179
  658   1HG1  VAL  80          1HG1      VAL  80  -8.961   5.564  -8.366
  659   2HG1  VAL  80          2HG1      VAL  80  -7.561   4.955  -9.248
  660   3HG1  VAL  80          3HG1      VAL  80  -7.490   5.132  -7.495
  661   1HG2  VAL  80          1HG2      VAL  80  -8.690   3.551  -6.032
  662   2HG2  VAL  80          2HG2      VAL  80  -9.680   2.267  -6.726
  663   3HG2  VAL  80          3HG2      VAL  80 -10.223   3.943  -6.812
  664    H    HIS  81           H        HIS  81  -9.784   4.574 -11.352
  665    HA   HIS  81           HA       HIS  81  -8.232   3.028 -13.206
  666   1HB   HIS  81          2HB       HIS  81 -10.082   5.193 -13.318
  667   2HB   HIS  81          1HB       HIS  81  -8.606   5.706 -14.124
  668    HD1  HIS  81           1HD      HIS  81  -8.788   5.336 -16.535
  669    HD2  HIS  81           2HD      HIS  81 -10.681   2.328 -14.372
  670    HE1  HIS  81           1HE      HIS  81  -9.728   3.747 -18.251
  671    HE2  HIS  81           2HE      HIS  81 -10.964   2.001 -16.920
  672    H    ILE  82           H        ILE  82  -6.105   3.220 -13.672
  673    HA   ILE  82           HA       ILE  82  -4.627   5.265 -12.171
  674    HB   ILE  82           HB       ILE  82  -3.422   2.806 -13.430
  675   1HG1  ILE  82          2HG1      ILE  82  -4.390   3.124 -10.581
  676   2HG1  ILE  82          1HG1      ILE  82  -5.199   2.161 -11.812
  677   1HG2  ILE  82          1HG2      ILE  82  -1.874   4.608 -12.867
  678   2HG2  ILE  82          2HG2      ILE  82  -1.629   3.221 -11.806
  679   3HG2  ILE  82          3HG2      ILE  82  -2.495   4.639 -11.216
  680   1HD1  ILE  82          1HD1      ILE  82  -3.270   0.690 -11.947
  681   2HD1  ILE  82          2HD1      ILE  82  -3.872   0.786 -10.292
  682   3HD1  ILE  82          3HD1      ILE  82  -2.420   1.674 -10.755
  683    H    GLU  83           H        GLU  83  -5.055   6.879 -13.777
  684    HA   GLU  83           HA       GLU  83  -3.215   6.633 -16.061
  685   1HB   GLU  83          2HB       GLU  83  -5.616   8.419 -15.656
  686   2HB   GLU  83          1HB       GLU  83  -4.415   8.731 -16.898
  687   1HG   GLU  83          2HG       GLU  83  -5.990   7.590 -18.092
  688   2HG   GLU  83          1HG       GLU  83  -4.927   6.273 -17.607
  689    H    GLY  84           H        GLY  84  -3.652   7.942 -13.017
  690   1HA   GLY  84          2HA       GLY  84  -2.163   9.270 -11.804
  691   2HA   GLY  84          1HA       GLY  84  -1.360   9.697 -13.312
  692    H    TYR  85           H        TYR  85  -1.359  11.880 -13.005
  693    HA   TYR  85           HA       TYR  85  -2.109  14.015 -13.167
  694   1HB   TYR  85          2HB       TYR  85  -4.608  12.710 -14.266
  695   2HB   TYR  85          1HB       TYR  85  -4.234  14.423 -14.370
  696    HD1  TYR  85           1HD      TYR  85  -3.534  11.103 -15.708
  697    HD2  TYR  85           2HD      TYR  85  -2.513  15.224 -15.913
  698    HE1  TYR  85           1HE      TYR  85  -2.407  10.711 -17.858
  699    HE2  TYR  85           2HE      TYR  85  -1.382  14.844 -18.061
  700    HH   TYR  85           HH       TYR  85  -0.369  13.039 -19.311
  701    H    THR  86           H        THR  86  -4.263  15.399 -12.658
  702    HA   THR  86           HA       THR  86  -5.557  14.267 -10.270
  703    HB   THR  86           HB       THR  86  -6.087  16.735  -9.751
  704    HG1  THR  86           1HG      THR  86  -5.449  17.758 -11.607
  705   1HG2  THR  86          1HG2      THR  86  -3.970  17.064  -8.592
  706   2HG2  THR  86          2HG2      THR  86  -3.213  15.826  -9.592
  707   3HG2  THR  86          3HG2      THR  86  -4.488  15.383  -8.456
  708    HA   PRO  87           HA       PRO  87  -8.876  14.702 -13.364
  709   1HB   PRO  87          2HB       PRO  87 -10.009  12.272 -12.339
  710   2HB   PRO  87          1HB       PRO  87  -9.217  12.531 -13.892
  711   1HG   PRO  87          2HG       PRO  87  -8.202  10.959 -11.872
  712   2HG   PRO  87          1HG       PRO  87  -7.228  11.703 -13.152
  713   1HD   PRO  87          2HD       PRO  87  -7.654  12.602 -10.327
  714   2HD   PRO  87          1HD       PRO  87  -6.172  12.631 -11.312
  715    H    GLU  88           H        GLU  88  -9.603  13.146 -10.249
  716    HA   GLU  88           HA       GLU  88 -11.286  15.326  -9.418
  717   1HB   GLU  88          2HB       GLU  88 -12.701  13.897 -10.975
  718   2HB   GLU  88          1HB       GLU  88 -12.536  12.595  -9.806
  719   1HG   GLU  88          2HG       GLU  88 -14.657  13.786  -9.586
  720   2HG   GLU  88          1HG       GLU  88 -13.672  13.904  -8.129
  721    H    ASP  89           H        ASP  89 -11.495  15.344  -7.185
  722    HA   ASP  89           HA       ASP  89 -10.000  13.223  -5.799
  723   1HB   ASP  89          2HB       ASP  89  -9.601  14.763  -4.022
  724   2HB   ASP  89          1HB       ASP  89  -9.316  15.651  -5.512
  725    H    LYS  90           H        LYS  90 -13.115  14.297  -6.393
  726    HA   LYS  90           HA       LYS  90 -14.189  13.146  -3.927
  727   1HB   LYS  90          2HB       LYS  90 -15.099  15.297  -4.367
  728   2HB   LYS  90          1HB       LYS  90 -15.386  14.915  -6.055
  729   1HG   LYS  90          2HG       LYS  90 -17.439  15.008  -4.683
  730   2HG   LYS  90          1HG       LYS  90 -17.197  13.460  -5.491
  731   1HD   LYS  90          2HD       LYS  90 -17.968  13.130  -3.209
  732   2HD   LYS  90          1HD       LYS  90 -16.325  12.518  -3.401
  733   1HE   LYS  90          2HE       LYS  90 -15.456  14.572  -2.382
  734   2HE   LYS  90          1HE       LYS  90 -17.105  15.166  -2.181
  735   1HZ   LYS  90          1HZ       LYS  90 -16.257  14.178  -0.148
  736   2HZ   LYS  90          2HZ       LYS  90 -15.993  12.709  -0.940
  737   3HZ   LYS  90          3HZ       LYS  90 -17.567  13.288  -0.740
  738    H    LYS  91           H        LYS  91 -14.580  11.054  -3.996
  739    HA   LYS  91           HA       LYS  91 -16.026  10.006  -6.323
  740   1HB   LYS  91          2HB       LYS  91 -14.874   7.802  -5.935
  741   2HB   LYS  91          1HB       LYS  91 -13.847   9.077  -6.568
  742   1HG   LYS  91          2HG       LYS  91 -12.913   9.446  -4.355
  743   2HG   LYS  91          1HG       LYS  91 -13.967   8.195  -3.690
  744   1HD   LYS  91          2HD       LYS  91 -12.905   6.533  -5.147
  745   2HD   LYS  91          1HD       LYS  91 -11.857   7.785  -5.812
  746   1HE   LYS  91          2HE       LYS  91 -10.671   6.498  -4.137
  747   2HE   LYS  91          1HE       LYS  91 -10.903   8.156  -3.589
  748   1HZ   LYS  91          1HZ       LYS  91 -12.726   7.425  -2.209
  749   2HZ   LYS  91          2HZ       LYS  91 -11.339   6.527  -1.841
  750   3HZ   LYS  91          3HZ       LYS  91 -12.569   5.838  -2.772
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -3.048 -25.096  13.051
    2   2H    MET   1          2HT       MET   1  -2.064 -25.234  14.418
    3   3H    MET   1          3HT       MET   1  -1.795 -26.230  13.084
    4    HA   MET   1           HA       MET   1  -1.480 -23.290  13.146
    5   1HB   MET   1          2HB       MET   1   0.900 -23.680  12.952
    6   2HB   MET   1          1HB       MET   1   0.288 -24.508  14.375
    7   1HG   MET   1          2HG       MET   1   0.389 -26.624  13.267
    8   2HG   MET   1          1HG       MET   1   0.782 -25.856  11.730
    9   1HE   MET   1          1HE       MET   1   3.087 -24.682  11.205
   10   2HE   MET   1          2HE       MET   1   4.400 -24.517  12.371
   11   3HE   MET   1          3HE       MET   1   2.896 -23.626  12.605
   12    H    SER   2           H        SER   2  -2.153 -26.045  11.269
   13    HA   SER   2           HA       SER   2  -1.020 -25.129   8.816
   14   1HB   SER   2          2HB       SER   2  -3.266 -27.098   9.318
   15   2HB   SER   2          1HB       SER   2  -2.450 -26.852   7.775
   16    HG   SER   2           HG       SER   2  -1.640 -28.254   9.996
   17    H    ARG   3           H        ARG   3  -1.632 -23.167   8.111
   18    HA   ARG   3           HA       ARG   3  -4.526 -22.665   7.919
   19   1HB   ARG   3          2HB       ARG   3  -3.407 -21.110   9.483
   20   2HB   ARG   3          1HB       ARG   3  -2.333 -20.599   8.187
   21   1HG   ARG   3          2HG       ARG   3  -4.087 -18.974   8.486
   22   2HG   ARG   3          1HG       ARG   3  -4.282 -19.775   6.925
   23   1HD   ARG   3          2HD       ARG   3  -6.440 -19.606   7.917
   24   2HD   ARG   3          1HD       ARG   3  -5.948 -21.293   8.015
   25    HE   ARG   3           HE       ARG   3  -5.544 -19.526  10.322
   26   1HH1  ARG   3          1HH1      ARG   3  -7.083 -22.340   8.902
   27   2HH1  ARG   3          2HH1      ARG   3  -7.773 -22.865  10.405
   28   1HH2  ARG   3          1HH2      ARG   3  -6.457 -20.215  12.284
   29   2HH2  ARG   3          2HH2      ARG   3  -7.423 -21.657  12.327
   30    H    THR   4           H        THR   4  -4.805 -23.490   5.906
   31    HA   THR   4           HA       THR   4  -3.067 -22.645   3.740
   32    HB   THR   4           HB       THR   4  -4.679 -24.172   2.410
   33    HG1  THR   4           1HG      THR   4  -6.288 -24.927   3.561
   34   1HG2  THR   4          1HG2      THR   4  -2.978 -25.342   4.616
   35   2HG2  THR   4          2HG2      THR   4  -2.388 -24.795   3.047
   36   3HG2  THR   4          3HG2      THR   4  -3.484 -26.172   3.146
   37    H    ILE   5           H        ILE   5  -3.461 -20.730   2.872
   38    HA   ILE   5           HA       ILE   5  -6.252 -19.854   2.545
   39    HB   ILE   5           HB       ILE   5  -5.398 -17.602   2.187
   40   1HG1  ILE   5          2HG1      ILE   5  -2.634 -18.601   2.863
   41   2HG1  ILE   5          1HG1      ILE   5  -3.183 -18.470   1.194
   42   1HG2  ILE   5          1HG2      ILE   5  -4.247 -18.888   4.663
   43   2HG2  ILE   5          2HG2      ILE   5  -5.893 -18.289   4.465
   44   3HG2  ILE   5          3HG2      ILE   5  -4.536 -17.162   4.444
   45   1HD1  ILE   5          1HD1      ILE   5  -1.868 -16.536   1.908
   46   2HD1  ILE   5          2HD1      ILE   5  -3.058 -16.201   3.170
   47   3HD1  ILE   5          3HD1      ILE   5  -3.517 -16.095   1.470
   48    H    PHE   6           H        PHE   6  -6.885 -18.917   0.517
   49    HA   PHE   6           HA       PHE   6  -5.249 -19.855  -1.737
   50   1HB   PHE   6          2HB       PHE   6  -8.203 -19.181  -1.703
   51   2HB   PHE   6          1HB       PHE   6  -7.298 -19.805  -3.079
   52    HD1  PHE   6           1HD      PHE   6  -9.383 -20.656  -0.405
   53    HD2  PHE   6           2HD      PHE   6  -6.041 -22.073  -2.623
   54    HE1  PHE   6           1HE      PHE   6  -9.870 -22.952   0.337
   55    HE2  PHE   6           2HE      PHE   6  -6.524 -24.370  -1.892
   56    HZ   PHE   6           HZ       PHE   6  -8.440 -24.810  -0.407
   57    H    CYS   7           H        CYS   7  -3.903 -18.152  -1.978
   58    HA   CYS   7           HA       CYS   7  -4.520 -15.462  -1.592
   59   1HB   CYS   7          2HB       CYS   7  -2.458 -16.569  -3.504
   60   2HB   CYS   7          1HB       CYS   7  -2.450 -14.978  -2.748
   61    HG   CYS   7           HG       CYS   7  -2.539 -16.749  -0.183
   62    H    THR   8           H        THR   8  -5.314 -13.864  -2.883
   63    HA   THR   8           HA       THR   8  -6.959 -14.597  -5.052
   64    HB   THR   8           HB       THR   8  -6.923 -11.998  -5.409
   65    HG1  THR   8           1HG      THR   8  -6.383 -11.309  -2.998
   66   1HG2  THR   8          1HG2      THR   8  -8.805 -13.212  -4.446
   67   2HG2  THR   8          2HG2      THR   8  -8.508 -11.732  -3.535
   68   3HG2  THR   8          3HG2      THR   8  -7.982 -13.284  -2.888
   69    H    TYR   9           H        TYR   9  -3.764 -13.129  -4.867
   70    HA   TYR   9           HA       TYR   9  -3.515 -12.628  -7.653
   71   1HB   TYR   9          2HB       TYR   9  -2.225 -11.350  -6.043
   72   2HB   TYR   9          1HB       TYR   9  -1.430 -12.810  -5.464
   73    HD1  TYR   9           1HD      TYR   9   0.752 -13.022  -6.121
   74    HD2  TYR   9           2HD      TYR   9  -1.991 -11.158  -8.788
   75    HE1  TYR   9           1HE      TYR   9   2.564 -12.699  -7.749
   76    HE2  TYR   9           2HE      TYR   9  -0.185 -10.832 -10.423
   77    HH   TYR   9           HH       TYR   9   2.201 -10.723 -10.542
   78    H    LEU  10           H        LEU  10  -2.605 -15.335  -5.585
   79    HA   LEU  10           HA       LEU  10  -1.129 -16.570  -7.772
   80   1HB   LEU  10          2HB       LEU  10  -1.503 -17.467  -4.914
   81   2HB   LEU  10          1HB       LEU  10  -0.492 -18.273  -6.097
   82    HG   LEU  10           HG       LEU  10  -0.061 -15.462  -5.068
   83   1HD1  LEU  10          1HD1      LEU  10   1.893 -16.398  -3.937
   84   2HD1  LEU  10          2HD1      LEU  10   1.429 -18.014  -4.470
   85   3HD1  LEU  10          3HD1      LEU  10   0.397 -17.124  -3.351
   86   1HD2  LEU  10          1HD2      LEU  10   2.099 -15.636  -6.233
   87   2HD2  LEU  10          2HD2      LEU  10   0.731 -15.709  -7.343
   88   3HD2  LEU  10          3HD2      LEU  10   1.593 -17.185  -6.909
   89    H    GLN  11           H        GLN  11  -4.089 -16.977  -5.961
   90    HA   GLN  11           HA       GLN  11  -5.856 -18.365  -6.131
   91   1HB   GLN  11          2HB       GLN  11  -4.814 -18.545  -8.949
   92   2HB   GLN  11          1HB       GLN  11  -6.284 -19.364  -8.436
   93   1HG   GLN  11          2HG       GLN  11  -5.778 -16.399  -8.310
   94   2HG   GLN  11          1HG       GLN  11  -6.774 -17.233  -9.501
   95   1HE2  GLN  11          1HE2      GLN  11  -7.464 -15.152  -7.548
   96   2HE2  GLN  11          2HE2      GLN  11  -8.762 -15.806  -6.605
   97    H    ARG  12           H        ARG  12  -3.422 -19.374  -5.098
   98    HA   ARG  12           HA       ARG  12  -3.879 -22.246  -5.501
   99   1HB   ARG  12          2HB       ARG  12  -1.135 -20.997  -5.195
  100   2HB   ARG  12          1HB       ARG  12  -1.495 -22.700  -5.443
  101   1HG   ARG  12          2HG       ARG  12  -2.175 -22.333  -7.679
  102   2HG   ARG  12          1HG       ARG  12  -2.200 -20.583  -7.456
  103   1HD   ARG  12          2HD       ARG  12   0.266 -20.702  -7.023
  104   2HD   ARG  12          1HD       ARG  12   0.206 -22.394  -7.518
  105    HE   ARG  12           HE       ARG  12  -0.680 -21.532  -9.693
  106   1HH1  ARG  12          1HH1      ARG  12   1.403 -19.571  -7.667
  107   2HH1  ARG  12          2HH1      ARG  12   1.872 -18.518  -8.965
  108   1HH2  ARG  12          1HH2      ARG  12  -0.042 -20.162 -11.398
  109   2HH2  ARG  12          2HH2      ARG  12   1.045 -18.845 -11.082
  110    H    ASP  13           H        ASP  13  -2.676 -23.438  -3.599
  111    HA   ASP  13           HA       ASP  13  -3.601 -22.133  -1.195
  112   1HB   ASP  13          2HB       ASP  13  -3.263 -24.195  -0.064
  113   2HB   ASP  13          1HB       ASP  13  -3.940 -24.598  -1.635
  114    H    ALA  14           H        ALA  14  -2.446 -21.093   0.204
  115    HA   ALA  14           HA       ALA  14   0.451 -21.486   0.342
  116   1HB   ALA  14          1HB       ALA  14  -0.917 -18.814   0.014
  117   2HB   ALA  14          2HB       ALA  14   0.194 -19.580  -1.123
  118   3HB   ALA  14          3HB       ALA  14   0.779 -19.026   0.444
  119    H    GLU  15           H        GLU  15   1.197 -19.932   2.295
  120    HA   GLU  15           HA       GLU  15  -0.573 -20.703   4.494
  121   1HB   GLU  15          2HB       GLU  15   1.807 -21.447   4.576
  122   2HB   GLU  15          1HB       GLU  15   2.294 -19.756   4.633
  123   1HG   GLU  15          2HG       GLU  15   1.209 -19.451   6.742
  124   2HG   GLU  15          1HG       GLU  15   0.508 -21.065   6.666
  125    H    GLY  16           H        GLY  16  -1.699 -19.251   5.573
  126   1HA   GLY  16          2HA       GLY  16  -1.836 -16.549   4.794
  127   2HA   GLY  16          1HA       GLY  16  -2.529 -17.225   6.264
  128    H    GLN  17           H        GLN  17  -1.096 -14.673   5.729
  129    HA   GLN  17           HA       GLN  17   1.479 -14.787   6.866
  130   1HB   GLN  17          2HB       GLN  17   0.256 -12.885   5.533
  131   2HB   GLN  17          1HB       GLN  17  -0.259 -12.366   7.130
  132   1HG   GLN  17          2HG       GLN  17   2.621 -12.824   6.438
  133   2HG   GLN  17          1HG       GLN  17   1.810 -11.280   6.184
  134   1HE2  GLN  17          1HE2      GLN  17   4.026 -12.181   7.976
  135   2HE2  GLN  17          2HE2      GLN  17   3.557 -11.651   9.553
  136    H    ASP  18           H        ASP  18   2.110 -15.016   8.895
  137    HA   ASP  18           HA       ASP  18   0.077 -15.574  10.856
  138   1HB   ASP  18          2HB       ASP  18   2.011 -16.359  12.241
  139   2HB   ASP  18          1HB       ASP  18   1.842 -17.173  10.692
  140    H    PHE  19           H        PHE  19  -0.722 -14.103  12.075
  141    HA   PHE  19           HA       PHE  19  -0.933 -12.579  13.717
  142   1HB   PHE  19          2HB       PHE  19   2.074 -12.745  13.825
  143   2HB   PHE  19          1HB       PHE  19   1.102 -11.801  14.951
  144    HD1  PHE  19           1HD      PHE  19   2.484 -14.995  14.214
  145    HD2  PHE  19           2HD      PHE  19  -0.687 -13.057  16.291
  146    HE1  PHE  19           1HE      PHE  19   2.165 -17.006  15.598
  147    HE2  PHE  19           2HE      PHE  19  -1.005 -15.058  17.683
  148    HZ   PHE  19           HZ       PHE  19   0.423 -17.035  17.342
  149    H    GLN  20           H        GLN  20  -1.746 -10.734  13.151
  150    HA   GLN  20           HA       GLN  20  -0.833  -8.977  11.196
  151   1HB   GLN  20          2HB       GLN  20  -2.506  -8.440  13.657
  152   2HB   GLN  20          1HB       GLN  20  -2.285  -7.295  12.340
  153   1HG   GLN  20          2HG       GLN  20  -3.340  -8.867  10.795
  154   2HG   GLN  20          1HG       GLN  20  -3.565 -10.012  12.118
  155   1HE2  GLN  20          1HE2      GLN  20  -4.510  -6.937  10.805
  156   2HE2  GLN  20          2HE2      GLN  20  -5.972  -6.771  11.710
  157    H    LEU  21           H        LEU  21   1.003  -7.904  11.155
  158    HA   LEU  21           HA       LEU  21   2.657  -7.752  13.470
  159   1HB   LEU  21          2HB       LEU  21   3.270  -6.301  10.921
  160   2HB   LEU  21          1HB       LEU  21   4.370  -7.051  12.060
  161    HG   LEU  21           HG       LEU  21   3.086  -9.249  11.221
  162   1HD1  LEU  21          1HD1      LEU  21   2.712  -9.132   8.817
  163   2HD1  LEU  21          2HD1      LEU  21   3.061  -7.404   8.840
  164   3HD1  LEU  21          3HD1      LEU  21   1.642  -8.024   9.675
  165   1HD2  LEU  21          1HD2      LEU  21   5.355  -7.931   9.741
  166   2HD2  LEU  21          2HD2      LEU  21   4.972  -9.651   9.757
  167   3HD2  LEU  21          3HD2      LEU  21   5.509  -8.851  11.234
  168    H    TYR  22           H        TYR  22   0.761  -5.468  11.607
  169    HA   TYR  22           HA       TYR  22   0.737  -3.614  13.773
  170   1HB   TYR  22          2HB       TYR  22   2.932  -3.081  12.743
  171   2HB   TYR  22          1HB       TYR  22   2.115  -2.714  11.231
  172    HD1  TYR  22           1HD      TYR  22   2.291  -1.701  14.800
  173    HD2  TYR  22           2HD      TYR  22   1.291  -0.551  10.831
  174    HE1  TYR  22           1HE      TYR  22   1.975   0.617  15.560
  175    HE2  TYR  22           2HE      TYR  22   0.971   1.773  11.579
  176    HH   TYR  22           HH       TYR  22   1.947   2.853  14.700
  177    HA   PRO  23           HA       PRO  23  -2.073  -2.017  10.156
  178   1HB   PRO  23          2HB       PRO  23  -2.148  -4.296   8.295
  179   2HB   PRO  23          1HB       PRO  23  -1.965  -2.576   7.949
  180   1HG   PRO  23          2HG       PRO  23   0.082  -4.278   7.668
  181   2HG   PRO  23          1HG       PRO  23   0.328  -2.621   8.253
  182   1HD   PRO  23          2HD       PRO  23   0.197  -5.180   9.807
  183   2HD   PRO  23          1HD       PRO  23   1.314  -3.812   9.984
  184    H    GLY  24           H        GLY  24  -4.208  -2.205  10.579
  185   1HA   GLY  24          2HA       GLY  24  -5.035  -4.637  11.979
  186   2HA   GLY  24          1HA       GLY  24  -5.843  -3.079  12.040
  187    H    GLU  25           H        GLU  25  -7.348  -2.547  10.525
  188    HA   GLU  25           HA       GLU  25  -8.891  -4.608   9.468
  189   1HB   GLU  25          2HB       GLU  25  -9.689  -2.311   9.994
  190   2HB   GLU  25          1HB       GLU  25  -8.831  -1.720   8.578
  191   1HG   GLU  25          2HG       GLU  25 -10.231  -3.154   7.160
  192   2HG   GLU  25          1HG       GLU  25 -11.114  -3.676   8.595
  193    H    LEU  26           H        LEU  26  -6.759  -2.324   7.775
  194    HA   LEU  26           HA       LEU  26  -7.012  -3.480   5.225
  195   1HB   LEU  26          2HB       LEU  26  -6.100  -1.236   5.612
  196   2HB   LEU  26          1HB       LEU  26  -4.709  -1.934   6.416
  197    HG   LEU  26           HG       LEU  26  -4.106  -3.057   4.267
  198   1HD1  LEU  26          1HD1      LEU  26  -5.136  -2.238   2.206
  199   2HD1  LEU  26          2HD1      LEU  26  -6.290  -1.301   3.156
  200   3HD1  LEU  26          3HD1      LEU  26  -6.309  -3.062   3.235
  201   1HD2  LEU  26          1HD2      LEU  26  -4.306  -0.051   4.157
  202   2HD2  LEU  26          2HD2      LEU  26  -3.181  -1.059   3.247
  203   3HD2  LEU  26          3HD2      LEU  26  -3.057  -0.966   5.003
  204    H    GLY  27           H        GLY  27  -4.918  -4.134   7.942
  205   1HA   GLY  27          2HA       GLY  27  -2.961  -5.691   6.703
  206   2HA   GLY  27          1HA       GLY  27  -3.429  -5.813   8.393
  207    H    LYS  28           H        LYS  28  -5.730  -6.929   8.598
  208    HA   LYS  28           HA       LYS  28  -5.181  -9.606   7.827
  209   1HB   LYS  28          2HB       LYS  28  -7.340 -10.158   8.886
  210   2HB   LYS  28          1HB       LYS  28  -6.321  -9.164   9.913
  211   1HG   LYS  28          2HG       LYS  28  -7.633  -7.206   9.382
  212   2HG   LYS  28          1HG       LYS  28  -8.616  -8.145   8.255
  213   1HD   LYS  28          2HD       LYS  28  -9.413  -9.543  10.076
  214   2HD   LYS  28          1HD       LYS  28  -8.383  -8.672  11.215
  215   1HE   LYS  28          2HE       LYS  28  -9.616  -6.612  10.766
  216   2HE   LYS  28          1HE       LYS  28 -10.630  -7.466   9.603
  217   1HZ   LYS  28          1HZ       LYS  28 -11.689  -7.203  11.780
  218   2HZ   LYS  28          2HZ       LYS  28 -10.457  -8.112  12.494
  219   3HZ   LYS  28          3HZ       LYS  28 -11.488  -8.832  11.367
  220    H    ARG  29           H        ARG  29  -7.125  -7.082   6.448
  221    HA   ARG  29           HA       ARG  29  -8.806  -8.587   4.799
  222   1HB   ARG  29          2HB       ARG  29  -9.022  -6.151   5.189
  223   2HB   ARG  29          1HB       ARG  29  -7.560  -5.887   4.251
  224   1HG   ARG  29          2HG       ARG  29  -8.662  -6.757   2.261
  225   2HG   ARG  29          1HG       ARG  29 -10.131  -7.051   3.198
  226   1HD   ARG  29          2HD       ARG  29 -10.237  -4.643   3.727
  227   2HD   ARG  29          1HD       ARG  29  -8.821  -4.377   2.712
  228    HE   ARG  29           HE       ARG  29 -10.615  -5.624   1.069
  229   1HH1  ARG  29          1HH1      ARG  29 -10.686  -2.745   3.057
  230   2HH1  ARG  29          2HH1      ARG  29 -11.820  -1.911   2.048
  231   1HH2  ARG  29          1HH2      ARG  29 -12.118  -4.520  -0.286
  232   2HH2  ARG  29          2HH2      ARG  29 -12.629  -2.918   0.145
  233    H    ILE  30           H        ILE  30  -5.463  -7.541   4.403
  234    HA   ILE  30           HA       ILE  30  -5.326  -8.717   1.739
  235    HB   ILE  30           HB       ILE  30  -3.145  -7.379   3.352
  236   1HG1  ILE  30          2HG1      ILE  30  -4.841  -6.242   1.118
  237   2HG1  ILE  30          1HG1      ILE  30  -5.080  -5.891   2.826
  238   1HG2  ILE  30          1HG2      ILE  30  -2.264  -8.854   1.644
  239   2HG2  ILE  30          2HG2      ILE  30  -2.015  -7.175   1.173
  240   3HG2  ILE  30          3HG2      ILE  30  -3.306  -8.115   0.428
  241   1HD1  ILE  30          1HD1      ILE  30  -2.867  -4.883   2.931
  242   2HD1  ILE  30          2HD1      ILE  30  -3.877  -4.103   1.715
  243   3HD1  ILE  30          3HD1      ILE  30  -2.621  -5.237   1.221
  244    H    TYR  31           H        TYR  31  -3.875  -9.178   4.949
  245    HA   TYR  31           HA       TYR  31  -2.024 -11.151   4.178
  246   1HB   TYR  31          2HB       TYR  31  -3.191 -10.437   6.860
  247   2HB   TYR  31          1HB       TYR  31  -1.942 -11.656   6.658
  248    HD1  TYR  31           1HD      TYR  31  -0.227 -10.385   4.605
  249    HD2  TYR  31           2HD      TYR  31  -2.140  -8.711   8.016
  250    HE1  TYR  31           1HE      TYR  31   1.500  -8.642   4.712
  251    HE2  TYR  31           2HE      TYR  31  -0.416  -6.962   8.132
  252    HH   TYR  31           HH       TYR  31   1.861  -6.459   5.594
  253    H    ASN  32           H        ASN  32  -5.420 -11.454   4.723
  254    HA   ASN  32           HA       ASN  32  -5.199 -14.288   5.351
  255   1HB   ASN  32          2HB       ASN  32  -7.415 -14.267   5.948
  256   2HB   ASN  32          1HB       ASN  32  -7.030 -12.570   6.206
  257   1HD2  ASN  32          1HD2      ASN  32  -7.818 -11.031   4.743
  258   2HD2  ASN  32          2HD2      ASN  32  -9.101 -11.394   3.638
  259    H    GLU  33           H        GLU  33  -5.218 -12.395   2.586
  260    HA   GLU  33           HA       GLU  33  -5.958 -14.721   0.941
  261   1HB   GLU  33          2HB       GLU  33  -6.690 -11.833   0.409
  262   2HB   GLU  33          1HB       GLU  33  -6.963 -13.163  -0.710
  263   1HG   GLU  33          2HG       GLU  33  -8.483 -14.210   0.838
  264   2HG   GLU  33          1HG       GLU  33  -8.136 -12.985   2.055
  265    H    ILE  34           H        ILE  34  -3.453 -13.047   1.891
  266    HA   ILE  34           HA       ILE  34  -2.093 -13.282  -0.692
  267    HB   ILE  34           HB       ILE  34  -2.126 -10.911   1.130
  268   1HG1  ILE  34          2HG1      ILE  34  -3.473 -10.961  -0.945
  269   2HG1  ILE  34          1HG1      ILE  34  -2.268  -9.677  -0.948
  270   1HG2  ILE  34          1HG2      ILE  34  -0.054 -10.054   0.150
  271   2HG2  ILE  34          2HG2      ILE  34   0.188 -11.592  -0.679
  272   3HG2  ILE  34          3HG2      ILE  34   0.228 -11.524   1.083
  273   1HD1  ILE  34          1HD1      ILE  34  -0.810 -11.100  -2.337
  274   2HD1  ILE  34          2HD1      ILE  34  -2.349 -10.718  -3.111
  275   3HD1  ILE  34          3HD1      ILE  34  -2.094 -12.308  -2.394
  276    H    SER  35           H        SER  35  -0.374 -14.512  -0.588
  277    HA   SER  35           HA       SER  35   0.531 -15.669   1.831
  278   1HB   SER  35          2HB       SER  35   0.599 -16.824  -0.361
  279   2HB   SER  35          1HB       SER  35   1.819 -15.673  -0.909
  280    HG   SER  35           HG       SER  35   3.173 -17.050  -0.116
  281    H    LYS  36           H        LYS  36   2.669 -15.550   2.689
  282    HA   LYS  36           HA       LYS  36   3.506 -12.942   3.249
  283   1HB   LYS  36          2HB       LYS  36   5.265 -15.371   3.521
  284   2HB   LYS  36          1HB       LYS  36   5.232 -13.932   4.532
  285   1HG   LYS  36          2HG       LYS  36   3.043 -14.571   5.388
  286   2HG   LYS  36          1HG       LYS  36   3.050 -16.005   4.363
  287   1HD   LYS  36          2HD       LYS  36   5.232 -16.615   5.550
  288   2HD   LYS  36          1HD       LYS  36   4.788 -15.382   6.731
  289   1HE   LYS  36          2HE       LYS  36   2.637 -16.556   7.075
  290   2HE   LYS  36          1HE       LYS  36   3.177 -17.820   5.975
  291   1HZ   LYS  36          1HZ       LYS  36   3.667 -18.658   8.055
  292   2HZ   LYS  36          2HZ       LYS  36   4.180 -17.156   8.669
  293   3HZ   LYS  36          3HZ       LYS  36   5.154 -18.004   7.569
  294    H    ASP  37           H        ASP  37   4.562 -15.264   0.843
  295    HA   ASP  37           HA       ASP  37   6.941 -13.854   0.137
  296   1HB   ASP  37          2HB       ASP  37   7.197 -15.420  -1.644
  297   2HB   ASP  37          1HB       ASP  37   6.560 -16.315  -0.271
  298    H    ALA  38           H        ALA  38   3.645 -13.958  -1.141
  299    HA   ALA  38           HA       ALA  38   4.122 -12.333  -3.397
  300   1HB   ALA  38          1HB       ALA  38   2.124 -13.707  -3.211
  301   2HB   ALA  38          2HB       ALA  38   1.685 -12.014  -3.439
  302   3HB   ALA  38          3HB       ALA  38   1.571 -12.748  -1.838
  303    H    TRP  39           H        TRP  39   3.144 -11.628  -0.086
  304    HA   TRP  39           HA       TRP  39   2.811  -8.854  -0.343
  305   1HB   TRP  39          2HB       TRP  39   2.056 -10.092   1.633
  306   2HB   TRP  39          1HB       TRP  39   3.721 -10.485   2.041
  307    HD1  TRP  39           HD       TRP  39   5.090  -8.725   3.392
  308    HE1  TRP  39           1HE      TRP  39   4.536  -6.435   4.429
  309    HE3  TRP  39           3HE      TRP  39   0.528  -7.950   1.230
  310    HZ2  TRP  39           2HZ      TRP  39   2.436  -4.548   4.340
  311    HZ3  TRP  39           3HZ      TRP  39  -0.686  -5.874   1.761
  312    HH2  TRP  39           HH       TRP  39   0.245  -4.216   3.285
  313    H    ALA  40           H        ALA  40   5.646 -10.803   0.521
  314    HA   ALA  40           HA       ALA  40   7.406  -8.655   0.980
  315   1HB   ALA  40          1HB       ALA  40   8.075 -11.457   0.101
  316   2HB   ALA  40          2HB       ALA  40   7.810 -10.942   1.765
  317   3HB   ALA  40          3HB       ALA  40   9.179 -10.306   0.852
  318    H    GLN  41           H        GLN  41   6.746 -10.564  -1.931
  319    HA   GLN  41           HA       GLN  41   8.737  -9.506  -3.583
  320   1HB   GLN  41          2HB       GLN  41   6.021 -10.647  -4.201
  321   2HB   GLN  41          1HB       GLN  41   7.122 -10.122  -5.466
  322   1HG   GLN  41          2HG       GLN  41   7.792 -12.187  -3.385
  323   2HG   GLN  41          1HG       GLN  41   7.177 -12.556  -4.994
  324   1HE2  GLN  41          1HE2      GLN  41   9.897 -11.440  -3.148
  325   2HE2  GLN  41          2HE2      GLN  41  11.060 -11.546  -4.426
  326    H    TRP  42           H        TRP  42   5.442  -8.333  -2.945
  327    HA   TRP  42           HA       TRP  42   5.579  -6.238  -4.841
  328   1HB   TRP  42          2HB       TRP  42   3.420  -6.991  -4.004
  329   2HB   TRP  42          1HB       TRP  42   3.849  -6.475  -2.374
  330    HD1  TRP  42           HD       TRP  42   2.489  -4.374  -1.825
  331    HE1  TRP  42           1HE      TRP  42   1.912  -2.179  -3.039
  332    HE3  TRP  42           3HE      TRP  42   4.599  -5.366  -6.379
  333    HZ2  TRP  42           2HZ      TRP  42   2.287  -1.025  -5.577
  334    HZ3  TRP  42           3HZ      TRP  42   4.443  -3.662  -8.146
  335    HH2  TRP  42           HH       TRP  42   3.308  -1.534  -7.750
  336    H    GLN  43           H        GLN  43   6.286  -6.354  -1.357
  337    HA   GLN  43           HA       GLN  43   6.806  -3.626  -1.005
  338   1HB   GLN  43          2HB       GLN  43   8.143  -5.949   0.389
  339   2HB   GLN  43          1HB       GLN  43   8.158  -4.280   0.939
  340   1HG   GLN  43          2HG       GLN  43   5.618  -4.456   1.006
  341   2HG   GLN  43          1HG       GLN  43   5.856  -6.198   0.850
  342   1HE2  GLN  43          1HE2      GLN  43   6.167  -3.433   2.882
  343   2HE2  GLN  43          2HE2      GLN  43   6.581  -4.278   4.333
  344    H    HIS  44           H        HIS  44   8.839  -6.229  -2.187
  345    HA   HIS  44           HA       HIS  44  11.305  -4.912  -2.252
  346   1HB   HIS  44          2HB       HIS  44  10.992  -7.332  -2.646
  347   2HB   HIS  44          1HB       HIS  44  10.213  -6.973  -4.181
  348    HD1  HIS  44           1HD      HIS  44  11.741  -7.375  -6.075
  349    HD2  HIS  44           2HD      HIS  44  13.787  -6.051  -2.709
  350    HE1  HIS  44           1HE      HIS  44  14.166  -7.338  -6.729
  351    HE2  HIS  44           2HE      HIS  44  15.397  -6.678  -4.633
  352    H    LYS  45           H        LYS  45   8.803  -5.178  -4.765
  353    HA   LYS  45           HA       LYS  45  10.165  -3.505  -6.618
  354   1HB   LYS  45          2HB       LYS  45   8.597  -5.134  -7.425
  355   2HB   LYS  45          1HB       LYS  45   7.305  -4.448  -6.453
  356   1HG   LYS  45          2HG       LYS  45   7.102  -3.892  -8.829
  357   2HG   LYS  45          1HG       LYS  45   7.270  -2.460  -7.815
  358   1HD   LYS  45          2HD       LYS  45   8.631  -2.176  -9.774
  359   2HD   LYS  45          1HD       LYS  45   9.687  -2.406  -8.383
  360   1HE   LYS  45          2HE       LYS  45  10.021  -4.735  -9.008
  361   2HE   LYS  45          1HE       LYS  45   8.928  -4.537 -10.377
  362   1HZ   LYS  45          1HZ       LYS  45  10.466  -2.848 -11.255
  363   2HZ   LYS  45          2HZ       LYS  45  11.190  -4.368 -11.118
  364   3HZ   LYS  45          3HZ       LYS  45  11.532  -3.164  -9.983
  365    H    GLN  46           H        GLN  46   7.669  -2.936  -4.197
  366    HA   GLN  46           HA       GLN  46   6.994  -0.318  -4.957
  367   1HB   GLN  46          2HB       GLN  46   5.699  -1.711  -3.349
  368   2HB   GLN  46          1HB       GLN  46   6.974  -1.468  -2.163
  369   1HG   GLN  46          2HG       GLN  46   5.095   0.025  -1.768
  370   2HG   GLN  46          1HG       GLN  46   6.558   0.924  -2.171
  371   1HE2  GLN  46          1HE2      GLN  46   6.691   1.992  -4.137
  372   2HE2  GLN  46          2HE2      GLN  46   5.297   2.303  -5.109
  373    H    THR  47           H        THR  47   9.483  -1.544  -2.765
  374    HA   THR  47           HA       THR  47  10.434   0.997  -1.940
  375    HB   THR  47           HB       THR  47  11.958  -1.619  -2.027
  376    HG1  THR  47           1HG      THR  47  10.245  -2.041  -0.740
  377   1HG2  THR  47          1HG2      THR  47  13.250  -0.639  -0.181
  378   2HG2  THR  47          2HG2      THR  47  12.336   0.863  -0.342
  379   3HG2  THR  47          3HG2      THR  47  13.392   0.327  -1.651
  380    H    MET  48           H        MET  48  11.296  -1.201  -4.569
  381    HA   MET  48           HA       MET  48  13.504   0.202  -5.577
  382   1HB   MET  48          2HB       MET  48  12.889  -2.078  -6.291
  383   2HB   MET  48          1HB       MET  48  11.456  -1.442  -7.085
  384   1HG   MET  48          2HG       MET  48  12.826  -0.209  -8.649
  385   2HG   MET  48          1HG       MET  48  14.290  -0.741  -7.821
  386   1HE   MET  48          1HE       MET  48  14.435  -2.694 -11.215
  387   2HE   MET  48          2HE       MET  48  15.340  -1.677 -10.095
  388   3HE   MET  48          3HE       MET  48  13.913  -1.037 -10.911
  389    H    LEU  49           H        LEU  49  10.038   0.498  -6.233
  390    HA   LEU  49           HA       LEU  49  10.083   2.516  -8.156
  391   1HB   LEU  49          2HB       LEU  49   8.145   1.466  -6.219
  392   2HB   LEU  49          1HB       LEU  49   7.886   3.147  -6.635
  393    HG   LEU  49           HG       LEU  49   7.683   2.577  -8.985
  394   1HD1  LEU  49          1HD1      LEU  49   9.227   0.724  -9.118
  395   2HD1  LEU  49          2HD1      LEU  49   7.639   0.232  -9.710
  396   3HD1  LEU  49          3HD1      LEU  49   8.171  -0.260  -8.103
  397   1HD2  LEU  49          1HD2      LEU  49   5.609   1.289  -8.880
  398   2HD2  LEU  49          2HD2      LEU  49   5.677   2.513  -7.613
  399   3HD2  LEU  49          3HD2      LEU  49   5.984   0.820  -7.222
  400    H    ILE  50           H        ILE  50  10.262   2.741  -4.641
  401    HA   ILE  50           HA       ILE  50  10.126   5.568  -4.490
  402    HB   ILE  50           HB       ILE  50  11.385   3.635  -2.533
  403   1HG1  ILE  50          2HG1      ILE  50   8.602   4.816  -2.600
  404   2HG1  ILE  50          1HG1      ILE  50   9.001   3.165  -3.056
  405   1HG2  ILE  50          1HG2      ILE  50  12.102   5.943  -2.163
  406   2HG2  ILE  50          2HG2      ILE  50  11.024   5.403  -0.876
  407   3HG2  ILE  50          3HG2      ILE  50  10.418   6.468  -2.144
  408   1HD1  ILE  50          1HD1      ILE  50   8.057   3.285  -0.820
  409   2HD1  ILE  50          2HD1      ILE  50   9.356   4.370  -0.321
  410   3HD1  ILE  50          3HD1      ILE  50   9.721   2.705  -0.779
  411    H    ASN  51           H        ASN  51  12.786   3.287  -4.821
  412    HA   ASN  51           HA       ASN  51  14.846   5.236  -4.465
  413   1HB   ASN  51          2HB       ASN  51  14.908   2.438  -5.608
  414   2HB   ASN  51          1HB       ASN  51  16.343   3.429  -5.365
  415   1HD2  ASN  51          1HD2      ASN  51  15.585   0.860  -4.185
  416   2HD2  ASN  51          2HD2      ASN  51  15.604   1.100  -2.474
  417    H    GLU  52           H        GLU  52  13.274   3.773  -7.279
  418    HA   GLU  52           HA       GLU  52  15.033   5.065  -9.146
  419   1HB   GLU  52          2HB       GLU  52  12.406   3.645  -9.585
  420   2HB   GLU  52          1HB       GLU  52  13.477   4.198 -10.860
  421   1HG   GLU  52          2HG       GLU  52  15.229   2.696  -9.957
  422   2HG   GLU  52          1HG       GLU  52  14.041   2.074  -8.810
  423    H    LYS  53           H        LYS  53  11.624   5.515  -8.215
  424    HA   LYS  53           HA       LYS  53  11.465   7.768 -10.075
  425   1HB   LYS  53          2HB       LYS  53   9.206   6.537  -8.508
  426   2HB   LYS  53          1HB       LYS  53   9.099   7.531  -9.954
  427   1HG   LYS  53          2HG       LYS  53  10.131   5.762 -11.267
  428   2HG   LYS  53          1HG       LYS  53  10.282   4.765  -9.818
  429   1HD   LYS  53          2HD       LYS  53   7.791   4.878  -9.589
  430   2HD   LYS  53          1HD       LYS  53   7.740   5.681 -11.159
  431   1HE   LYS  53          2HE       LYS  53   8.807   2.919 -10.587
  432   2HE   LYS  53          1HE       LYS  53   7.305   3.311 -11.421
  433   1HZ   LYS  53          1HZ       LYS  53  10.033   3.977 -12.381
  434   2HZ   LYS  53          2HZ       LYS  53   8.590   4.351 -13.179
  435   3HZ   LYS  53          3HZ       LYS  53   9.050   2.737 -12.975
  436    H    LYS  54           H        LYS  54  11.875   7.182  -6.769
  437    HA   LYS  54           HA       LYS  54  11.774   8.451  -4.888
  438   1HB   LYS  54          2HB       LYS  54  12.164  10.647  -6.928
  439   2HB   LYS  54          1HB       LYS  54  12.292  10.879  -5.190
  440   1HG   LYS  54          2HG       LYS  54  14.012   9.038  -6.838
  441   2HG   LYS  54          1HG       LYS  54  14.480  10.633  -6.248
  442   1HD   LYS  54          2HD       LYS  54  14.163   9.839  -3.932
  443   2HD   LYS  54          1HD       LYS  54  13.771   8.235  -4.558
  444   1HE   LYS  54          2HE       LYS  54  16.101   8.376  -3.819
  445   2HE   LYS  54          1HE       LYS  54  15.982   8.060  -5.550
  446   1HZ   LYS  54          1HZ       LYS  54  16.465  10.344  -6.004
  447   2HZ   LYS  54          2HZ       LYS  54  17.661   9.742  -4.975
  448   3HZ   LYS  54          3HZ       LYS  54  16.441  10.738  -4.361
  449    H    LEU  55           H        LEU  55   9.342   7.647  -5.477
  450    HA   LEU  55           HA       LEU  55   7.561   9.924  -5.563
  451   1HB   LEU  55          2HB       LEU  55   5.874   7.879  -5.139
  452   2HB   LEU  55          1HB       LEU  55   6.419   8.379  -6.723
  453    HG   LEU  55           HG       LEU  55   8.253   6.604  -6.463
  454   1HD1  LEU  55          1HD1      LEU  55   8.016   6.233  -4.070
  455   2HD1  LEU  55          2HD1      LEU  55   7.707   4.749  -4.971
  456   3HD1  LEU  55          3HD1      LEU  55   6.360   5.676  -4.309
  457   1HD2  LEU  55          1HD2      LEU  55   6.754   4.865  -7.266
  458   2HD2  LEU  55          2HD2      LEU  55   6.325   6.429  -7.963
  459   3HD2  LEU  55          3HD2      LEU  55   5.365   5.758  -6.644
  460    H    ASN  56           H        ASN  56   8.397  10.831  -3.613
  461    HA   ASN  56           HA       ASN  56   8.046   9.620  -1.086
  462   1HB   ASN  56          2HB       ASN  56   8.205  12.533  -1.885
  463   2HB   ASN  56          1HB       ASN  56   8.150  11.984  -0.212
  464   1HD2  ASN  56          1HD2      ASN  56   9.927  10.929   0.661
  465   2HD2  ASN  56          2HD2      ASN  56  11.479  10.947  -0.103
  466    H    MET  57           H        MET  57   6.357   9.586   0.308
  467    HA   MET  57           HA       MET  57   3.782   9.826  -0.945
  468   1HB   MET  57          2HB       MET  57   4.441   9.022   1.891
  469   2HB   MET  57          1HB       MET  57   2.913   8.761   1.059
  470   1HG   MET  57          2HG       MET  57   5.570   7.517   0.400
  471   2HG   MET  57          1HG       MET  57   4.173   6.713   1.111
  472   1HE   MET  57          1HE       MET  57   4.655   4.855  -0.872
  473   2HE   MET  57          2HE       MET  57   5.920   5.880  -1.548
  474   3HE   MET  57          3HE       MET  57   4.631   5.271  -2.586
  475    H    MET  58           H        MET  58   5.645  12.103   0.351
  476    HA   MET  58           HA       MET  58   3.912  13.545   2.042
  477   1HB   MET  58          2HB       MET  58   5.306  15.495   1.524
  478   2HB   MET  58          1HB       MET  58   6.296  14.085   1.876
  479   1HG   MET  58          2HG       MET  58   6.684  13.748  -0.496
  480   2HG   MET  58          1HG       MET  58   5.643  15.118  -0.874
  481   1HE   MET  58          1HE       MET  58   9.268  16.378  -1.755
  482   2HE   MET  58          2HE       MET  58   7.628  16.159  -2.365
  483   3HE   MET  58          3HE       MET  58   8.612  14.754  -1.957
  484    H    ASN  59           H        ASN  59   3.959  13.009  -1.338
  485    HA   ASN  59           HA       ASN  59   1.889  15.053  -1.755
  486   1HB   ASN  59          2HB       ASN  59   3.728  13.631  -3.681
  487   2HB   ASN  59          1HB       ASN  59   2.320  14.536  -4.222
  488   1HD2  ASN  59          1HD2      ASN  59   2.292  16.764  -4.008
  489   2HD2  ASN  59          2HD2      ASN  59   3.739  17.674  -3.744
  490    H    ALA  60           H        ALA  60  -0.154  14.421  -2.049
  491    HA   ALA  60           HA       ALA  60  -0.937  11.776  -1.523
  492   1HB   ALA  60          1HB       ALA  60  -2.353  13.675  -1.010
  493   2HB   ALA  60          2HB       ALA  60  -3.200  12.542  -2.061
  494   3HB   ALA  60          3HB       ALA  60  -2.530  14.030  -2.730
  495    H    GLU  61           H        GLU  61  -0.211  13.396  -4.495
  496    HA   GLU  61           HA       GLU  61  -1.490  11.648  -6.296
  497   1HB   GLU  61          2HB       GLU  61   1.064  13.225  -6.658
  498   2HB   GLU  61          1HB       GLU  61   0.078  12.548  -7.951
  499   1HG   GLU  61          2HG       GLU  61  -1.655  14.054  -7.586
  500   2HG   GLU  61          1HG       GLU  61  -1.077  14.469  -5.975
  501    H    HIS  62           H        HIS  62   1.794  11.639  -4.955
  502    HA   HIS  62           HA       HIS  62   2.484   9.190  -6.290
  503   1HB   HIS  62          2HB       HIS  62   3.913  10.649  -4.054
  504   2HB   HIS  62          1HB       HIS  62   4.577   9.318  -4.991
  505    HD1  HIS  62           1HD      HIS  62   5.802   9.953  -7.126
  506    HD2  HIS  62           2HD      HIS  62   3.478  13.046  -5.621
  507    HE1  HIS  62           1HE      HIS  62   6.346  11.956  -8.537
  508    HE2  HIS  62           2HE      HIS  62   4.747  13.735  -7.757
  509    H    ARG  63           H        ARG  63   1.121  10.147  -3.259
  510    HA   ARG  63           HA       ARG  63   1.592   7.699  -1.882
  511   1HB   ARG  63          2HB       ARG  63   1.062  10.002  -0.879
  512   2HB   ARG  63          1HB       ARG  63  -0.615   9.654  -1.264
  513   1HG   ARG  63          2HG       ARG  63   1.028   7.780   0.400
  514   2HG   ARG  63          1HG       ARG  63   0.199   9.167   1.103
  515   1HD   ARG  63          2HD       ARG  63  -1.928   8.339   0.411
  516   2HD   ARG  63          1HD       ARG  63  -1.182   7.070  -0.555
  517    HE   ARG  63           HE       ARG  63  -0.465   6.896   2.209
  518   1HH1  ARG  63          1HH1      ARG  63  -2.990   6.173  -0.095
  519   2HH1  ARG  63          2HH1      ARG  63  -3.597   4.804   0.794
  520   1HH2  ARG  63          1HH2      ARG  63  -1.260   5.119   3.393
  521   2HH2  ARG  63          2HH2      ARG  63  -2.616   4.218   2.789
  522    H    LYS  64           H        LYS  64  -1.092   8.959  -3.848
  523    HA   LYS  64           HA       LYS  64  -2.762   6.711  -3.346
  524   1HB   LYS  64          2HB       LYS  64  -4.153   7.461  -5.179
  525   2HB   LYS  64          1HB       LYS  64  -3.686   8.835  -4.193
  526   1HG   LYS  64          2HG       LYS  64  -2.140   9.595  -5.816
  527   2HG   LYS  64          1HG       LYS  64  -2.277   8.098  -6.742
  528   1HD   LYS  64          2HD       LYS  64  -3.527   9.962  -7.762
  529   2HD   LYS  64          1HD       LYS  64  -4.573   8.618  -7.309
  530   1HE   LYS  64          2HE       LYS  64  -5.569  10.780  -6.735
  531   2HE   LYS  64          1HE       LYS  64  -5.256   9.805  -5.300
  532   1HZ   LYS  64          1HZ       LYS  64  -3.573  12.042  -6.290
  533   2HZ   LYS  64          2HZ       LYS  64  -3.236  11.097  -4.927
  534   3HZ   LYS  64          3HZ       LYS  64  -4.601  12.091  -4.950
  535    H    LEU  65           H        LEU  65  -0.185   7.369  -5.633
  536    HA   LEU  65           HA       LEU  65  -0.473   5.182  -7.324
  537   1HB   LEU  65          2HB       LEU  65   2.027   6.429  -6.192
  538   2HB   LEU  65          1HB       LEU  65   2.049   5.192  -7.431
  539    HG   LEU  65           HG       LEU  65   0.839   7.943  -7.687
  540   1HD1  LEU  65          1HD1      LEU  65   3.276   7.936  -7.735
  541   2HD1  LEU  65          2HD1      LEU  65   2.613   8.292  -9.330
  542   3HD1  LEU  65          3HD1      LEU  65   3.255   6.688  -8.979
  543   1HD2  LEU  65          1HD2      LEU  65   0.527   7.303 -10.063
  544   2HD2  LEU  65          2HD2      LEU  65  -0.485   6.383  -8.949
  545   3HD2  LEU  65          3HD2      LEU  65   0.964   5.650  -9.635
  546    H    LEU  66           H        LEU  66   1.321   5.344  -4.269
  547    HA   LEU  66           HA       LEU  66   1.966   2.705  -3.867
  548   1HB   LEU  66          2HB       LEU  66   2.700   4.382  -2.338
  549   2HB   LEU  66          1HB       LEU  66   1.055   4.822  -1.928
  550    HG   LEU  66           HG       LEU  66   0.812   2.527  -0.893
  551   1HD1  LEU  66          1HD1      LEU  66   2.853   1.355  -0.270
  552   2HD1  LEU  66          2HD1      LEU  66   3.807   2.506  -1.207
  553   3HD1  LEU  66          3HD1      LEU  66   2.666   1.434  -2.022
  554   1HD2  LEU  66          1HD2      LEU  66   1.140   4.542   0.441
  555   2HD2  LEU  66          2HD2      LEU  66   2.889   4.369   0.283
  556   3HD2  LEU  66          3HD2      LEU  66   1.957   3.156   1.162
  557    H    GLU  67           H        GLU  67  -1.087   4.296  -3.039
  558    HA   GLU  67           HA       GLU  67  -2.297   2.068  -1.814
  559   1HB   GLU  67          2HB       GLU  67  -2.953   4.489  -1.580
  560   2HB   GLU  67          1HB       GLU  67  -3.699   4.373  -3.167
  561   1HG   GLU  67          2HG       GLU  67  -5.399   4.133  -1.523
  562   2HG   GLU  67          1HG       GLU  67  -5.149   2.562  -2.283
  563    H    GLN  68           H        GLN  68  -2.790   3.462  -5.047
  564    HA   GLN  68           HA       GLN  68  -4.757   1.623  -5.845
  565   1HB   GLN  68          2HB       GLN  68  -2.910   3.341  -7.508
  566   2HB   GLN  68          1HB       GLN  68  -4.299   2.469  -8.139
  567   1HG   GLN  68          2HG       GLN  68  -5.789   3.782  -6.754
  568   2HG   GLN  68          1HG       GLN  68  -4.416   4.615  -6.030
  569   1HE2  GLN  68          1HE2      GLN  68  -6.370   4.235  -8.872
  570   2HE2  GLN  68          2HE2      GLN  68  -5.828   5.662  -9.683
  571    H    GLU  69           H        GLU  69  -1.266   1.744  -6.662
  572    HA   GLU  69           HA       GLU  69  -1.448  -0.558  -8.309
  573   1HB   GLU  69          2HB       GLU  69   0.973   0.774  -7.096
  574   2HB   GLU  69          1HB       GLU  69   1.045  -0.533  -8.274
  575   1HG   GLU  69          2HG       GLU  69  -0.494   1.059  -9.671
  576   2HG   GLU  69          1HG       GLU  69   0.201   2.299  -8.632
  577    H    MET  70           H        MET  70  -0.840  -0.132  -4.891
  578    HA   MET  70           HA       MET  70   0.187  -2.673  -4.302
  579   1HB   MET  70          2HB       MET  70   0.085  -0.785  -2.696
  580   2HB   MET  70          1HB       MET  70  -1.658  -0.984  -2.601
  581   1HG   MET  70          2HG       MET  70   0.165  -3.259  -1.941
  582   2HG   MET  70          1HG       MET  70  -0.149  -1.992  -0.758
  583   1HE   MET  70          1HE       MET  70  -3.956  -2.334  -0.085
  584   2HE   MET  70          2HE       MET  70  -3.201  -1.236  -1.241
  585   3HE   MET  70          3HE       MET  70  -2.453  -1.511   0.332
  586    H    VAL  71           H        VAL  71  -3.188  -1.535  -4.263
  587    HA   VAL  71           HA       VAL  71  -4.339  -4.052  -3.723
  588    HB   VAL  71           HB       VAL  71  -5.621  -1.758  -5.229
  589   1HG1  VAL  71          1HG1      VAL  71  -7.725  -2.696  -4.316
  590   2HG1  VAL  71          2HG1      VAL  71  -6.807  -4.068  -3.694
  591   3HG1  VAL  71          3HG1      VAL  71  -6.906  -3.789  -5.431
  592   1HG2  VAL  71          1HG2      VAL  71  -4.732  -0.977  -3.107
  593   2HG2  VAL  71          2HG2      VAL  71  -5.540  -2.301  -2.264
  594   3HG2  VAL  71          3HG2      VAL  71  -6.494  -1.045  -3.055
  595    H    SER  72           H        SER  72  -3.317  -2.494  -6.665
  596    HA   SER  72           HA       SER  72  -4.757  -4.154  -8.459
  597   1HB   SER  72          2HB       SER  72  -2.279  -2.499  -8.962
  598   2HB   SER  72          1HB       SER  72  -3.371  -3.132 -10.192
  599    HG   SER  72           HG       SER  72  -3.905  -1.165  -8.218
  600    H    PHE  73           H        PHE  73  -1.520  -4.331  -7.055
  601    HA   PHE  73           HA       PHE  73  -0.782  -6.523  -8.799
  602   1HB   PHE  73          2HB       PHE  73   0.899  -4.843  -8.127
  603   2HB   PHE  73          1HB       PHE  73   0.710  -5.334  -6.447
  604    HD1  PHE  73           1HD      PHE  73   1.859  -7.187  -5.585
  605    HD2  PHE  73           2HD      PHE  73   1.826  -6.484  -9.783
  606    HE1  PHE  73           1HE      PHE  73   3.593  -8.906  -5.880
  607    HE2  PHE  73           2HE      PHE  73   3.556  -8.206 -10.088
  608    HZ   PHE  73           HZ       PHE  73   4.442  -9.417  -8.138
  609    H    LEU  74           H        LEU  74  -1.692  -6.064  -5.421
  610    HA   LEU  74           HA       LEU  74  -1.072  -8.822  -4.802
  611   1HB   LEU  74          2HB       LEU  74  -2.198  -6.585  -3.133
  612   2HB   LEU  74          1HB       LEU  74  -1.898  -8.200  -2.522
  613    HG   LEU  74           HG       LEU  74   0.214  -6.347  -3.632
  614   1HD1  LEU  74          1HD1      LEU  74  -0.417  -7.138  -0.794
  615   2HD1  LEU  74          2HD1      LEU  74  -0.657  -5.545  -1.511
  616   3HD1  LEU  74          3HD1      LEU  74   0.973  -6.186  -1.309
  617   1HD2  LEU  74          1HD2      LEU  74   0.773  -8.679  -3.996
  618   2HD2  LEU  74          2HD2      LEU  74   0.428  -9.046  -2.307
  619   3HD2  LEU  74          3HD2      LEU  74   1.785  -8.001  -2.722
  620    H    PHE  75           H        PHE  75  -4.003  -6.817  -5.024
  621    HA   PHE  75           HA       PHE  75  -5.591  -9.206  -4.421
  622   1HB   PHE  75          2HB       PHE  75  -5.912  -7.053  -3.124
  623   2HB   PHE  75          1HB       PHE  75  -6.577  -6.359  -4.596
  624    HD1  PHE  75           1HD      PHE  75  -8.820  -6.675  -5.158
  625    HD2  PHE  75           2HD      PHE  75  -7.045  -9.093  -2.141
  626    HE1  PHE  75           1HE      PHE  75 -11.037  -7.565  -4.574
  627    HE2  PHE  75           2HE      PHE  75  -9.259  -9.991  -1.552
  628    HZ   PHE  75           HZ       PHE  75 -11.259  -9.227  -2.767
  629    H    GLU  76           H        GLU  76  -4.849  -6.962  -6.933
  630    HA   GLU  76           HA       GLU  76  -5.340  -6.856  -9.136
  631   1HB   GLU  76          2HB       GLU  76  -6.299  -9.683  -8.677
  632   2HB   GLU  76          1HB       GLU  76  -6.162  -8.933 -10.260
  633   1HG   GLU  76          2HG       GLU  76  -3.723  -8.564  -9.740
  634   2HG   GLU  76          1HG       GLU  76  -3.957  -9.614  -8.341
  635    H    GLY  77           H        GLY  77  -7.380  -6.146  -7.053
  636   1HA   GLY  77          2HA       GLY  77  -9.638  -5.933  -8.903
  637   2HA   GLY  77          1HA       GLY  77  -9.932  -6.690  -7.344
  638    H    LYS  78           H        LYS  78  -8.845  -3.706  -8.895
  639    HA   LYS  78           HA       LYS  78 -10.052  -2.264  -6.637
  640   1HB   LYS  78          2HB       LYS  78  -8.424  -0.405  -7.068
  641   2HB   LYS  78          1HB       LYS  78  -7.711  -1.870  -6.421
  642   1HG   LYS  78          2HG       LYS  78  -6.201  -1.164  -8.036
  643   2HG   LYS  78          1HG       LYS  78  -7.115  -2.435  -8.839
  644   1HD   LYS  78          2HD       LYS  78  -8.458  -0.795 -10.003
  645   2HD   LYS  78          1HD       LYS  78  -7.680   0.514  -9.111
  646   1HE   LYS  78          2HE       LYS  78  -6.786   0.275 -11.391
  647   2HE   LYS  78          1HE       LYS  78  -5.559   0.019 -10.156
  648   1HZ   LYS  78          1HZ       LYS  78  -5.794  -2.357 -10.455
  649   2HZ   LYS  78          2HZ       LYS  78  -5.400  -1.616 -11.921
  650   3HZ   LYS  78          3HZ       LYS  78  -6.986  -2.122 -11.630
  651    H    ASP  79           H        ASP  79 -11.110  -0.303  -7.133
  652    HA   ASP  79           HA       ASP  79 -12.060  -0.207  -9.915
  653   1HB   ASP  79          2HB       ASP  79 -13.753  -0.540  -8.107
  654   2HB   ASP  79          1HB       ASP  79 -13.304   1.028  -7.444
  655    H    VAL  80           H        VAL  80 -10.017   1.359  -7.772
  656    HA   VAL  80           HA       VAL  80 -10.427   4.044  -8.743
  657    HB   VAL  80           HB       VAL  80  -7.992   3.124  -7.235
  658   1HG1  VAL  80          1HG1      VAL  80  -8.019   5.399  -6.370
  659   2HG1  VAL  80          2HG1      VAL  80  -9.495   5.736  -7.274
  660   3HG1  VAL  80          3HG1      VAL  80  -7.994   5.395  -8.132
  661   1HG2  VAL  80          1HG2      VAL  80  -9.184   3.600  -5.137
  662   2HG2  VAL  80          2HG2      VAL  80  -9.886   2.237  -6.009
  663   3HG2  VAL  80          3HG2      VAL  80 -10.679   3.812  -6.050
  664    H    HIS  81           H        HIS  81 -10.079   4.019 -10.938
  665    HA   HIS  81           HA       HIS  81  -7.868   2.714 -12.151
  666   1HB   HIS  81          2HB       HIS  81  -8.549   3.968 -14.207
  667   2HB   HIS  81          1HB       HIS  81  -9.834   3.023 -13.475
  668    HD1  HIS  81           1HD      HIS  81 -11.997   4.222 -13.324
  669    HD2  HIS  81           2HD      HIS  81  -8.776   6.847 -13.349
  670    HE1  HIS  81           1HE      HIS  81 -13.002   6.527 -13.377
  671    HE2  HIS  81           2HE      HIS  81 -11.029   8.077 -13.633
  672    H    ILE  82           H        ILE  82  -6.053   3.592 -13.156
  673    HA   ILE  82           HA       ILE  82  -5.097   6.075 -11.894
  674    HB   ILE  82           HB       ILE  82  -3.391   3.949 -13.198
  675   1HG1  ILE  82          2HG1      ILE  82  -4.113   4.182 -10.266
  676   2HG1  ILE  82          1HG1      ILE  82  -4.756   2.965 -11.363
  677   1HG2  ILE  82          1HG2      ILE  82  -1.629   4.923 -11.777
  678   2HG2  ILE  82          2HG2      ILE  82  -2.784   6.122 -11.192
  679   3HG2  ILE  82          3HG2      ILE  82  -2.317   6.102 -12.894
  680   1HD1  ILE  82          1HD1      ILE  82  -1.869   3.288 -10.572
  681   2HD1  ILE  82          2HD1      ILE  82  -2.508   2.067 -11.674
  682   3HD1  ILE  82          3HD1      ILE  82  -2.988   2.060  -9.976
  683    H    GLU  83           H        GLU  83  -5.309   7.767 -13.245
  684    HA   GLU  83           HA       GLU  83  -4.886   7.325 -16.125
  685   1HB   GLU  83          2HB       GLU  83  -6.482   9.464 -14.704
  686   2HB   GLU  83          1HB       GLU  83  -6.236   9.393 -16.444
  687   1HG   GLU  83          2HG       GLU  83  -7.431   7.325 -16.588
  688   2HG   GLU  83          1HG       GLU  83  -7.544   7.217 -14.834
  689    H    GLY  84           H        GLY  84  -3.130   8.265 -13.635
  690   1HA   GLY  84          2HA       GLY  84  -0.964   9.203 -13.935
  691   2HA   GLY  84          1HA       GLY  84  -1.591  10.125 -15.295
  692    H    TYR  85           H        TYR  85  -0.606  11.994 -14.347
  693    HA   TYR  85           HA       TYR  85  -1.953  12.967 -11.925
  694   1HB   TYR  85          2HB       TYR  85  -0.009  14.479 -11.653
  695   2HB   TYR  85          1HB       TYR  85   0.449  12.779 -11.647
  696    HD1  TYR  85           1HD      TYR  85   1.516  11.795 -13.698
  697    HD2  TYR  85           2HD      TYR  85   0.884  15.982 -13.257
  698    HE1  TYR  85           1HE      TYR  85   3.162  12.225 -15.469
  699    HE2  TYR  85           2HE      TYR  85   2.527  16.420 -15.033
  700    HH   TYR  85           HH       TYR  85   3.666  14.021 -17.111
  701    H    THR  86           H        THR  86  -2.017  13.310 -15.209
  702    HA   THR  86           HA       THR  86  -2.823  16.135 -15.060
  703    HB   THR  86           HB       THR  86  -2.097  14.587 -17.554
  704    HG1  THR  86           1HG      THR  86  -0.224  16.256 -17.227
  705   1HG2  THR  86          1HG2      THR  86  -2.379  17.556 -17.064
  706   2HG2  THR  86          2HG2      THR  86  -3.571  16.546 -17.880
  707   3HG2  THR  86          3HG2      THR  86  -1.977  16.782 -18.596
  708    HA   PRO  87           HA       PRO  87  -6.873  14.333 -15.896
  709   1HB   PRO  87          2HB       PRO  87  -8.321  16.261 -14.757
  710   2HB   PRO  87          1HB       PRO  87  -7.391  15.128 -13.770
  711   1HG   PRO  87          2HG       PRO  87  -6.771  17.954 -14.504
  712   2HG   PRO  87          1HG       PRO  87  -6.499  17.107 -12.971
  713   1HD   PRO  87          2HD       PRO  87  -4.579  17.537 -14.954
  714   2HD   PRO  87          1HD       PRO  87  -4.463  16.350 -13.641
  715    H    GLU  88           H        GLU  88  -8.932  15.418 -16.826
  716    HA   GLU  88           HA       GLU  88  -8.373  17.669 -18.589
  717   1HB   GLU  88          2HB       GLU  88  -9.474  16.462 -20.494
  718   2HB   GLU  88          1HB       GLU  88  -7.894  15.836 -20.048
  719   1HG   GLU  88          2HG       GLU  88  -8.959  14.009 -18.828
  720   2HG   GLU  88          1HG       GLU  88 -10.545  14.639 -19.272
  721    H    ASP  89           H        ASP  89 -10.484  18.412 -19.653
  722    HA   ASP  89           HA       ASP  89 -12.347  18.706 -17.466
  723   1HB   ASP  89          2HB       ASP  89 -12.393  19.924 -20.233
  724   2HB   ASP  89          1HB       ASP  89 -13.468  20.360 -18.908
  725    H    LYS  90           H        LYS  90 -14.630  18.455 -17.670
  726    HA   LYS  90           HA       LYS  90 -15.362  16.215 -19.437
  727   1HB   LYS  90          2HB       LYS  90 -15.273  15.799 -16.926
  728   2HB   LYS  90          1HB       LYS  90 -16.622  16.914 -16.779
  729   1HG   LYS  90          2HG       LYS  90 -17.593  14.795 -16.769
  730   2HG   LYS  90          1HG       LYS  90 -17.847  15.390 -18.408
  731   1HD   LYS  90          2HD       LYS  90 -17.139  13.088 -18.505
  732   2HD   LYS  90          1HD       LYS  90 -15.853  14.117 -19.133
  733   1HE   LYS  90          2HE       LYS  90 -14.963  12.360 -17.687
  734   2HE   LYS  90          1HE       LYS  90 -14.666  13.959 -17.014
  735   1HZ   LYS  90          1HZ       LYS  90 -15.433  12.344 -15.350
  736   2HZ   LYS  90          2HZ       LYS  90 -16.890  12.172 -16.189
  737   3HZ   LYS  90          3HZ       LYS  90 -16.486  13.657 -15.494
  738    H    LYS  91           H        LYS  91 -17.040  16.542 -20.805
  739    HA   LYS  91           HA       LYS  91 -18.757  18.889 -20.315
  740   1HB   LYS  91          2HB       LYS  91 -17.976  17.607 -22.941
  741   2HB   LYS  91          1HB       LYS  91 -19.204  18.854 -22.780
  742   1HG   LYS  91          2HG       LYS  91 -17.461  20.354 -21.829
  743   2HG   LYS  91          1HG       LYS  91 -16.264  19.112 -22.199
  744   1HD   LYS  91          2HD       LYS  91 -16.271  20.739 -23.975
  745   2HD   LYS  91          1HD       LYS  91 -16.950  19.229 -24.582
  746   1HE   LYS  91          2HE       LYS  91 -19.209  20.121 -24.291
  747   2HE   LYS  91          1HE       LYS  91 -18.538  21.622 -23.658
  748   1HZ   LYS  91          1HZ       LYS  91 -17.468  21.995 -25.792
  749   2HZ   LYS  91          2HZ       LYS  91 -19.139  21.844 -25.978
  750   3HZ   LYS  91          3HZ       LYS  91 -18.124  20.561 -26.401
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1   2.388 -26.829   9.866
    2   2H    MET   1          2HT       MET   1   1.365 -27.727  10.865
    3   3H    MET   1          3HT       MET   1   2.678 -26.898  11.529
    4    HA   MET   1           HA       MET   1   0.577 -25.773  11.951
    5   1HB   MET   1          2HB       MET   1   2.644 -24.434  10.224
    6   2HB   MET   1          1HB       MET   1   1.280 -23.542  10.881
    7   1HG   MET   1          2HG       MET   1   3.332 -25.042  12.491
    8   2HG   MET   1          1HG       MET   1   3.290 -23.297  12.247
    9   1HE   MET   1          1HE       MET   1   0.002 -22.283  14.099
   10   2HE   MET   1          2HE       MET   1   0.061 -22.790  12.412
   11   3HE   MET   1          3HE       MET   1   1.334 -21.759  13.068
   12    H    SER   2           H        SER   2   1.426 -24.955   8.606
   13    HA   SER   2           HA       SER   2   0.234 -24.855   6.693
   14   1HB   SER   2          2HB       SER   2  -1.655 -26.769   8.074
   15   2HB   SER   2          1HB       SER   2  -1.597 -26.437   6.343
   16    HG   SER   2           HG       SER   2   0.599 -27.222   6.399
   17    H    ARG   3           H        ARG   3  -0.183 -22.798   8.570
   18    HA   ARG   3           HA       ARG   3  -3.000 -22.162   8.394
   19   1HB   ARG   3          2HB       ARG   3  -1.809 -21.227  10.283
   20   2HB   ARG   3          1HB       ARG   3  -0.613 -20.494   9.225
   21   1HG   ARG   3          2HG       ARG   3  -2.202 -18.918   8.393
   22   2HG   ARG   3          1HG       ARG   3  -3.531 -19.748   9.204
   23   1HD   ARG   3          2HD       ARG   3  -1.211 -18.487  10.656
   24   2HD   ARG   3          1HD       ARG   3  -2.730 -17.652  10.332
   25    HE   ARG   3           HE       ARG   3  -3.248 -20.114  11.599
   26   1HH1  ARG   3          1HH1      ARG   3  -1.933 -16.930  12.315
   27   2HH1  ARG   3          2HH1      ARG   3  -2.431 -16.982  13.977
   28   1HH2  ARG   3          1HH2      ARG   3  -3.887 -20.159  13.780
   29   2HH2  ARG   3          2HH2      ARG   3  -3.519 -18.816  14.815
   30    H    THR   4           H        THR   4  -3.563 -22.187   6.298
   31    HA   THR   4           HA       THR   4  -1.950 -20.595   4.428
   32    HB   THR   4           HB       THR   4  -2.863 -22.171   2.667
   33    HG1  THR   4           1HG      THR   4  -4.551 -23.138   3.785
   34   1HG2  THR   4          1HG2      THR   4  -1.129 -23.391   4.822
   35   2HG2  THR   4          2HG2      THR   4  -0.562 -22.330   3.533
   36   3HG2  THR   4          3HG2      THR   4  -1.224 -23.918   3.142
   37    H    ILE   5           H        ILE   5  -2.966 -19.446   2.838
   38    HA   ILE   5           HA       ILE   5  -5.885 -19.199   2.995
   39    HB   ILE   5           HB       ILE   5  -5.611 -16.744   2.535
   40   1HG1  ILE   5          2HG1      ILE   5  -3.310 -15.883   3.492
   41   2HG1  ILE   5          1HG1      ILE   5  -2.731 -17.458   2.969
   42   1HG2  ILE   5          1HG2      ILE   5  -6.209 -17.518   4.748
   43   2HG2  ILE   5          2HG2      ILE   5  -5.112 -16.143   4.873
   44   3HG2  ILE   5          3HG2      ILE   5  -4.511 -17.777   5.143
   45   1HD1  ILE   5          1HD1      ILE   5  -4.019 -15.369   1.225
   46   2HD1  ILE   5          2HD1      ILE   5  -3.463 -16.954   0.690
   47   3HD1  ILE   5          3HD1      ILE   5  -2.302 -15.770   1.289
   48    H    PHE   6           H        PHE   6  -6.884 -18.601   0.988
   49    HA   PHE   6           HA       PHE   6  -5.413 -19.545  -1.294
   50   1HB   PHE   6          2HB       PHE   6  -7.868 -19.992  -0.959
   51   2HB   PHE   6          1HB       PHE   6  -8.163 -18.285  -1.268
   52    HD1  PHE   6           1HD      PHE   6  -7.005 -21.444  -2.746
   53    HD2  PHE   6           2HD      PHE   6  -8.112 -17.403  -3.485
   54    HE1  PHE   6           1HE      PHE   6  -7.071 -21.909  -5.161
   55    HE2  PHE   6           2HE      PHE   6  -8.182 -17.860  -5.900
   56    HZ   PHE   6           HZ       PHE   6  -7.661 -20.115  -6.741
   57    H    CYS   7           H        CYS   7  -3.959 -18.295  -2.180
   58    HA   CYS   7           HA       CYS   7  -3.922 -15.474  -1.824
   59   1HB   CYS   7          2HB       CYS   7  -2.310 -17.145  -3.749
   60   2HB   CYS   7          1HB       CYS   7  -1.914 -15.529  -3.172
   61    HG   CYS   7           HG       CYS   7  -2.316 -17.628  -0.645
   62    H    THR   8           H        THR   8  -4.809 -13.923  -3.024
   63    HA   THR   8           HA       THR   8  -6.510 -14.513  -5.210
   64    HB   THR   8           HB       THR   8  -6.456 -11.953  -5.483
   65    HG1  THR   8           1HG      THR   8  -5.115 -10.877  -4.223
   66   1HG2  THR   8          1HG2      THR   8  -7.237 -13.150  -2.820
   67   2HG2  THR   8          2HG2      THR   8  -8.228 -13.142  -4.278
   68   3HG2  THR   8          3HG2      THR   8  -7.830 -11.623  -3.476
   69    H    TYR   9           H        TYR   9  -3.268 -13.135  -4.991
   70    HA   TYR   9           HA       TYR   9  -3.111 -12.709  -7.832
   71   1HB   TYR   9          2HB       TYR   9  -2.014 -11.152  -6.299
   72   2HB   TYR   9          1HB       TYR   9  -0.990 -12.449  -5.691
   73    HD1  TYR   9           1HD      TYR   9   1.112 -12.740  -6.620
   74    HD2  TYR   9           2HD      TYR   9  -1.877 -10.732  -8.885
   75    HE1  TYR   9           1HE      TYR   9   2.762 -12.282  -8.384
   76    HE2  TYR   9           2HE      TYR   9  -0.232 -10.261 -10.652
   77    HH   TYR   9           HH       TYR   9   2.114 -10.123 -11.001
   78    H    LEU  10           H        LEU  10  -2.064 -15.194  -5.595
   79    HA   LEU  10           HA       LEU  10  -0.344 -16.365  -7.647
   80   1HB   LEU  10          2HB       LEU  10  -0.721 -17.111  -4.754
   81   2HB   LEU  10          1HB       LEU  10   0.385 -17.909  -5.851
   82    HG   LEU  10           HG       LEU  10   0.542 -15.025  -4.957
   83   1HD1  LEU  10          1HD1      LEU  10   2.253 -17.419  -4.306
   84   2HD1  LEU  10          2HD1      LEU  10   1.174 -16.569  -3.200
   85   3HD1  LEU  10          3HD1      LEU  10   2.603 -15.755  -3.838
   86   1HD2  LEU  10          1HD2      LEU  10   2.661 -14.961  -6.154
   87   2HD2  LEU  10          2HD2      LEU  10   1.329 -15.308  -7.256
   88   3HD2  LEU  10          3HD2      LEU  10   2.400 -16.606  -6.729
   89    H    GLN  11           H        GLN  11  -3.427 -16.820  -6.183
   90    HA   GLN  11           HA       GLN  11  -5.128 -18.248  -6.601
   91   1HB   GLN  11          2HB       GLN  11  -3.425 -18.857  -9.009
   92   2HB   GLN  11          1HB       GLN  11  -4.981 -19.629  -8.739
   93   1HG   GLN  11          2HG       GLN  11  -4.513 -16.667  -9.013
   94   2HG   GLN  11          1HG       GLN  11  -5.170 -17.732 -10.254
   95   1HE2  GLN  11          1HE2      GLN  11  -5.805 -16.021  -7.323
   96   2HE2  GLN  11          2HE2      GLN  11  -7.508 -16.313  -7.270
   97    H    ARG  12           H        ARG  12  -2.577 -19.145  -5.144
   98    HA   ARG  12           HA       ARG  12  -3.302 -22.000  -5.089
   99   1HB   ARG  12          2HB       ARG  12  -0.549 -20.831  -4.633
  100   2HB   ARG  12          1HB       ARG  12  -0.977 -22.526  -4.469
  101   1HG   ARG  12          2HG       ARG  12  -1.514 -22.615  -6.858
  102   2HG   ARG  12          1HG       ARG  12  -1.050 -20.918  -7.014
  103   1HD   ARG  12          2HD       ARG  12   1.212 -21.494  -6.222
  104   2HD   ARG  12          1HD       ARG  12   0.736 -23.190  -6.153
  105    HE   ARG  12           HE       ARG  12   0.180 -22.529  -8.706
  106   1HH1  ARG  12          1HH1      ARG  12   3.037 -22.144  -6.721
  107   2HH1  ARG  12          2HH1      ARG  12   4.133 -22.214  -8.060
  108   1HH2  ARG  12          1HH2      ARG  12   1.624 -22.623 -10.473
  109   2HH2  ARG  12          2HH2      ARG  12   3.332 -22.456 -10.201
  110    H    ASP  13           H        ASP  13  -2.507 -23.001  -2.972
  111    HA   ASP  13           HA       ASP  13  -3.409 -21.325  -0.764
  112   1HB   ASP  13          2HB       ASP  13  -2.710 -24.270  -0.837
  113   2HB   ASP  13          1HB       ASP  13  -3.357 -23.414   0.555
  114    H    ALA  14           H        ALA  14  -1.913 -20.122   0.185
  115    HA   ALA  14           HA       ALA  14   0.701 -21.350   0.731
  116   1HB   ALA  14          1HB       ALA  14   1.811 -19.226   0.265
  117   2HB   ALA  14          2HB       ALA  14   0.266 -18.520  -0.207
  118   3HB   ALA  14          3HB       ALA  14   0.960 -19.829  -1.161
  119    H    GLU  15           H        GLU  15   1.883 -20.196   2.472
  120    HA   GLU  15           HA       GLU  15   0.251 -20.069   4.760
  121   1HB   GLU  15          2HB       GLU  15   2.620 -20.755   4.793
  122   2HB   GLU  15          1HB       GLU  15   3.093 -19.107   4.410
  123   1HG   GLU  15          2HG       GLU  15   2.194 -18.323   6.512
  124   2HG   GLU  15          1HG       GLU  15   1.602 -19.942   6.884
  125    H    GLY  16           H        GLY  16  -0.896 -18.488   5.562
  126   1HA   GLY  16          2HA       GLY  16  -1.177 -16.013   4.230
  127   2HA   GLY  16          1HA       GLY  16  -1.895 -16.437   5.775
  128    H    GLN  17           H        GLN  17  -0.699 -13.933   4.861
  129    HA   GLN  17           HA       GLN  17   1.807 -13.593   6.181
  130   1HB   GLN  17          2HB       GLN  17   0.448 -12.189   4.304
  131   2HB   GLN  17          1HB       GLN  17   0.063 -11.238   5.729
  132   1HG   GLN  17          2HG       GLN  17   2.862 -11.940   4.877
  133   2HG   GLN  17          1HG       GLN  17   2.034 -10.449   4.441
  134   1HE2  GLN  17          1HE2      GLN  17   0.708 -10.239   7.029
  135   2HE2  GLN  17          2HE2      GLN  17   1.922  -9.684   8.129
  136    H    ASP  18           H        ASP  18   1.796 -14.054   8.309
  137    HA   ASP  18           HA       ASP  18  -0.558 -13.473   9.908
  138   1HB   ASP  18          2HB       ASP  18   0.652 -15.696   9.881
  139   2HB   ASP  18          1HB       ASP  18   1.964 -14.905  10.739
  140    H    PHE  19           H        PHE  19   1.941 -11.650   9.076
  141    HA   PHE  19           HA       PHE  19   2.588 -10.641  11.743
  142   1HB   PHE  19          2HB       PHE  19   3.779 -10.011   9.041
  143   2HB   PHE  19          1HB       PHE  19   4.316  -9.298  10.558
  144    HD1  PHE  19           1HD      PHE  19   5.524 -10.628  12.196
  145    HD2  PHE  19           2HD      PHE  19   4.328 -12.270   8.458
  146    HE1  PHE  19           1HE      PHE  19   7.076 -12.505  12.530
  147    HE2  PHE  19           2HE      PHE  19   5.876 -14.154   8.786
  148    HZ   PHE  19           HZ       PHE  19   7.253 -14.274  10.821
  149    H    GLN  20           H        GLN  20   0.782  -9.460  12.317
  150    HA   GLN  20           HA       GLN  20   0.049  -7.204  10.601
  151   1HB   GLN  20          2HB       GLN  20  -1.789  -8.507  11.581
  152   2HB   GLN  20          1HB       GLN  20  -1.174  -8.171  13.193
  153   1HG   GLN  20          2HG       GLN  20  -1.601  -5.805  12.894
  154   2HG   GLN  20          1HG       GLN  20  -2.154  -6.105  11.245
  155   1HE2  GLN  20          1HE2      GLN  20  -4.147  -7.044  10.909
  156   2HE2  GLN  20          2HE2      GLN  20  -5.338  -7.178  12.152
  157    H    LEU  21           H        LEU  21   1.130  -5.379  10.849
  158    HA   LEU  21           HA       LEU  21   2.037  -4.601  13.506
  159   1HB   LEU  21          2HB       LEU  21   4.315  -4.263  12.865
  160   2HB   LEU  21          1HB       LEU  21   3.867  -5.912  12.515
  161    HG   LEU  21           HG       LEU  21   5.231  -5.312  10.740
  162   1HD1  LEU  21          1HD1      LEU  21   3.226  -6.352   9.896
  163   2HD1  LEU  21          2HD1      LEU  21   3.868  -5.190   8.736
  164   3HD1  LEU  21          3HD1      LEU  21   2.459  -4.774   9.714
  165   1HD2  LEU  21          1HD2      LEU  21   3.817  -2.664  10.594
  166   2HD2  LEU  21          2HD2      LEU  21   5.051  -3.216   9.461
  167   3HD2  LEU  21          3HD2      LEU  21   5.459  -2.966  11.158
  168    H    TYR  22           H        TYR  22   0.393  -3.732  10.877
  169    HA   TYR  22           HA       TYR  22   0.830  -0.916  11.369
  170   1HB   TYR  22          2HB       TYR  22   2.393  -1.787   9.461
  171   2HB   TYR  22          1HB       TYR  22   0.927  -1.767   8.494
  172    HD1  TYR  22           1HD      TYR  22   3.339   0.297  10.329
  173    HD2  TYR  22           2HD      TYR  22  -0.063   0.310   7.777
  174    HE1  TYR  22           1HE      TYR  22   3.700   2.686   9.876
  175    HE2  TYR  22           2HE      TYR  22   0.284   2.702   7.317
  176    HH   TYR  22           HH       TYR  22   3.171   4.348   8.258
  177    HA   PRO  23           HA       PRO  23  -3.254  -1.364   9.113
  178   1HB   PRO  23          2HB       PRO  23  -3.673  -3.541   7.459
  179   2HB   PRO  23          1HB       PRO  23  -2.930  -2.020   6.965
  180   1HG   PRO  23          2HG       PRO  23  -1.696  -4.585   7.122
  181   2HG   PRO  23          1HG       PRO  23  -0.927  -3.039   6.727
  182   1HD   PRO  23          2HD       PRO  23  -1.036  -4.495   9.319
  183   2HD   PRO  23          1HD       PRO  23   0.220  -3.413   8.682
  184    H    GLY  24           H        GLY  24  -5.307  -2.004   9.732
  185   1HA   GLY  24          2HA       GLY  24  -5.343  -4.157  11.718
  186   2HA   GLY  24          1HA       GLY  24  -6.531  -2.873  11.557
  187    H    GLU  25           H        GLU  25  -8.355  -3.235  10.442
  188    HA   GLU  25           HA       GLU  25  -9.085  -5.891   9.814
  189   1HB   GLU  25          2HB       GLU  25 -10.685  -4.134  10.542
  190   2HB   GLU  25          1HB       GLU  25 -10.460  -3.325   8.996
  191   1HG   GLU  25          2HG       GLU  25 -12.512  -4.604   9.008
  192   2HG   GLU  25          1HG       GLU  25 -11.368  -5.266   7.844
  193    H    LEU  26           H        LEU  26  -8.196  -3.109   7.827
  194    HA   LEU  26           HA       LEU  26  -8.456  -4.381   5.323
  195   1HB   LEU  26          2HB       LEU  26  -8.229  -1.942   5.621
  196   2HB   LEU  26          1HB       LEU  26  -6.574  -2.166   6.151
  197    HG   LEU  26           HG       LEU  26  -6.008  -3.071   3.913
  198   1HD1  LEU  26          1HD1      LEU  26  -8.221  -3.907   3.296
  199   2HD1  LEU  26          2HD1      LEU  26  -7.599  -2.793   2.080
  200   3HD1  LEU  26          3HD1      LEU  26  -8.828  -2.253   3.222
  201   1HD2  LEU  26          1HD2      LEU  26  -5.648  -0.711   4.414
  202   2HD2  LEU  26          2HD2      LEU  26  -7.296  -0.346   3.903
  203   3HD2  LEU  26          3HD2      LEU  26  -6.120  -0.935   2.730
  204    H    GLY  27           H        GLY  27  -5.942  -4.302   7.738
  205   1HA   GLY  27          2HA       GLY  27  -3.840  -5.426   6.249
  206   2HA   GLY  27          1HA       GLY  27  -4.003  -5.492   7.998
  207    H    LYS  28           H        LYS  28  -6.034  -7.016   8.559
  208    HA   LYS  28           HA       LYS  28  -5.112  -9.610   8.010
  209   1HB   LYS  28          2HB       LYS  28  -7.266 -10.352   9.081
  210   2HB   LYS  28          1HB       LYS  28  -6.283  -9.257  10.044
  211   1HG   LYS  28          2HG       LYS  28  -7.729  -7.391   9.308
  212   2HG   LYS  28          1HG       LYS  28  -8.750  -8.560   8.472
  213   1HD   LYS  28          2HD       LYS  28  -8.146  -8.693  11.419
  214   2HD   LYS  28          1HD       LYS  28  -9.549  -7.857  10.753
  215   1HE   LYS  28          2HE       LYS  28  -8.912 -10.787  10.402
  216   2HE   LYS  28          1HE       LYS  28 -10.102 -10.118  11.517
  217   1HZ   LYS  28          1HZ       LYS  28 -10.178 -10.135   8.563
  218   2HZ   LYS  28          2HZ       LYS  28 -11.158  -9.098   9.470
  219   3HZ   LYS  28          3HZ       LYS  28 -11.308 -10.778   9.644
  220    H    ARG  29           H        ARG  29  -7.429  -7.604   6.345
  221    HA   ARG  29           HA       ARG  29  -8.662  -9.619   4.790
  222   1HB   ARG  29          2HB       ARG  29  -9.337  -7.149   4.986
  223   2HB   ARG  29          1HB       ARG  29  -8.068  -6.828   3.811
  224   1HG   ARG  29          2HG       ARG  29  -9.292  -8.671   2.421
  225   2HG   ARG  29          1HG       ARG  29 -10.656  -8.262   3.463
  226   1HD   ARG  29          2HD       ARG  29 -11.064  -6.717   1.875
  227   2HD   ARG  29          1HD       ARG  29  -9.840  -5.793   2.745
  228    HE   ARG  29           HE       ARG  29  -8.605  -7.454   0.801
  229   1HH1  ARG  29          1HH1      ARG  29 -10.489  -4.501   1.084
  230   2HH1  ARG  29          2HH1      ARG  29  -9.946  -3.861  -0.431
  231   1HH2  ARG  29          1HH2      ARG  29  -7.901  -6.623  -1.177
  232   2HH2  ARG  29          2HH2      ARG  29  -8.477  -5.080  -1.734
  233    H    ILE  30           H        ILE  30  -5.945  -7.436   4.080
  234    HA   ILE  30           HA       ILE  30  -5.287  -8.595   1.597
  235    HB   ILE  30           HB       ILE  30  -3.479  -7.051   3.466
  236   1HG1  ILE  30          2HG1      ILE  30  -5.151  -6.056   1.146
  237   2HG1  ILE  30          1HG1      ILE  30  -5.585  -5.867   2.842
  238   1HG2  ILE  30          1HG2      ILE  30  -2.235  -6.504   1.401
  239   2HG2  ILE  30          2HG2      ILE  30  -3.265  -7.624   0.513
  240   3HG2  ILE  30          3HG2      ILE  30  -2.203  -8.224   1.785
  241   1HD1  ILE  30          1HD1      ILE  30  -4.613  -3.834   1.920
  242   2HD1  ILE  30          2HD1      ILE  30  -3.138  -4.716   1.520
  243   3HD1  ILE  30          3HD1      ILE  30  -3.607  -4.501   3.207
  244    H    TYR  31           H        TYR  31  -4.174  -9.231   4.888
  245    HA   TYR  31           HA       TYR  31  -2.115 -11.051   4.237
  246   1HB   TYR  31          2HB       TYR  31  -3.851 -10.895   6.707
  247   2HB   TYR  31          1HB       TYR  31  -2.376 -11.843   6.572
  248    HD1  TYR  31           1HD      TYR  31  -1.227  -9.341   4.775
  249    HD2  TYR  31           2HD      TYR  31  -2.741  -9.892   8.711
  250    HE1  TYR  31           1HE      TYR  31   0.087  -7.416   5.541
  251    HE2  TYR  31           2HE      TYR  31  -1.431  -7.968   9.487
  252    HH   TYR  31           HH       TYR  31   0.815  -6.835   8.639
  253    H    ASN  32           H        ASN  32  -5.544 -11.350   4.386
  254    HA   ASN  32           HA       ASN  32  -5.553 -14.234   4.419
  255   1HB   ASN  32          2HB       ASN  32  -7.400 -13.389   5.532
  256   2HB   ASN  32          1HB       ASN  32  -7.619 -12.072   4.388
  257   1HD2  ASN  32          1HD2      ASN  32  -8.851 -12.366   2.601
  258   2HD2  ASN  32          2HD2      ASN  32  -9.819 -13.771   2.330
  259    H    GLU  33           H        GLU  33  -5.446 -11.728   2.079
  260    HA   GLU  33           HA       GLU  33  -6.279 -13.551  -0.063
  261   1HB   GLU  33          2HB       GLU  33  -5.753 -10.573  -0.184
  262   2HB   GLU  33          1HB       GLU  33  -6.453 -11.562  -1.460
  263   1HG   GLU  33          2HG       GLU  33  -8.389 -12.031  -0.057
  264   2HG   GLU  33          1HG       GLU  33  -7.688 -11.074   1.243
  265    H    ILE  34           H        ILE  34  -3.535 -11.994   1.298
  266    HA   ILE  34           HA       ILE  34  -1.864 -12.901  -0.946
  267    HB   ILE  34           HB       ILE  34  -1.738 -10.338   0.624
  268   1HG1  ILE  34          2HG1      ILE  34  -3.091 -10.361  -1.419
  269   2HG1  ILE  34          1HG1      ILE  34  -1.675  -9.334  -1.609
  270   1HG2  ILE  34          1HG2      ILE  34   0.461 -11.441  -1.114
  271   2HG2  ILE  34          2HG2      ILE  34   0.515 -11.298   0.641
  272   3HG2  ILE  34          3HG2      ILE  34   0.426  -9.849  -0.360
  273   1HD1  ILE  34          1HD1      ILE  34  -0.548 -11.178  -2.807
  274   2HD1  ILE  34          2HD1      ILE  34  -2.006 -10.600  -3.616
  275   3HD1  ILE  34          3HD1      ILE  34  -2.042 -12.109  -2.705
  276    H    SER  35           H        SER  35  -0.269 -14.209  -0.445
  277    HA   SER  35           HA       SER  35   0.178 -14.990   2.287
  278   1HB   SER  35          2HB       SER  35   1.848 -16.556   1.128
  279   2HB   SER  35          1HB       SER  35   0.138 -16.769   0.742
  280    HG   SER  35           HG       SER  35   0.719 -16.491  -1.244
  281    H    LYS  36           H        LYS  36   2.512 -15.364   2.961
  282    HA   LYS  36           HA       LYS  36   3.864 -12.926   3.188
  283   1HB   LYS  36          2HB       LYS  36   4.988 -15.714   3.528
  284   2HB   LYS  36          1HB       LYS  36   5.711 -14.233   4.138
  285   1HG   LYS  36          2HG       LYS  36   3.789 -13.881   5.597
  286   2HG   LYS  36          1HG       LYS  36   3.043 -15.357   4.975
  287   1HD   LYS  36          2HD       LYS  36   4.994 -16.638   5.785
  288   2HD   LYS  36          1HD       LYS  36   5.649 -15.153   6.474
  289   1HE   LYS  36          2HE       LYS  36   3.768 -14.962   7.971
  290   2HE   LYS  36          1HE       LYS  36   2.982 -16.349   7.216
  291   1HZ   LYS  36          1HZ       LYS  36   5.528 -16.401   8.748
  292   2HZ   LYS  36          2HZ       LYS  36   4.838 -17.737   7.963
  293   3HZ   LYS  36          3HZ       LYS  36   4.036 -17.007   9.264
  294    H    ASP  37           H        ASP  37   4.099 -15.467   0.812
  295    HA   ASP  37           HA       ASP  37   6.608 -14.820  -0.288
  296   1HB   ASP  37          2HB       ASP  37   4.196 -16.088  -1.604
  297   2HB   ASP  37          1HB       ASP  37   5.814 -16.052  -2.295
  298    H    ALA  38           H        ALA  38   3.347 -14.040  -1.478
  299    HA   ALA  38           HA       ALA  38   4.246 -12.282  -3.500
  300   1HB   ALA  38          1HB       ALA  38   2.094 -13.320  -3.700
  301   2HB   ALA  38          2HB       ALA  38   1.863 -11.573  -3.618
  302   3HB   ALA  38          3HB       ALA  38   1.544 -12.573  -2.201
  303    H    TRP  39           H        TRP  39   3.326 -11.833  -0.156
  304    HA   TRP  39           HA       TRP  39   3.102  -9.052  -0.048
  305   1HB   TRP  39          2HB       TRP  39   2.487 -10.636   1.768
  306   2HB   TRP  39          1HB       TRP  39   4.193 -10.926   2.066
  307    HD1  TRP  39           HD       TRP  39   5.334  -9.393   3.784
  308    HE1  TRP  39           1HE      TRP  39   4.660  -7.265   5.060
  309    HE3  TRP  39           3HE      TRP  39   0.951  -8.336   1.363
  310    HZ2  TRP  39           2HZ      TRP  39   2.560  -5.392   5.053
  311    HZ3  TRP  39           3HZ      TRP  39  -0.326  -6.352   2.062
  312    HH2  TRP  39           HH       TRP  39   0.462  -4.911   3.867
  313    H    ALA  40           H        ALA  40   5.943 -11.100   0.594
  314    HA   ALA  40           HA       ALA  40   7.750  -8.945   0.937
  315   1HB   ALA  40          1HB       ALA  40   9.497 -10.646   0.789
  316   2HB   ALA  40          2HB       ALA  40   8.315 -11.814   0.197
  317   3HB   ALA  40          3HB       ALA  40   8.180 -11.172   1.835
  318    H    GLN  41           H        GLN  41   6.939 -11.009  -1.810
  319    HA   GLN  41           HA       GLN  41   8.840 -10.148  -3.644
  320   1HB   GLN  41          2HB       GLN  41   7.391 -12.059  -4.055
  321   2HB   GLN  41          1HB       GLN  41   5.981 -11.013  -4.112
  322   1HG   GLN  41          2HG       GLN  41   6.963  -9.898  -6.103
  323   2HG   GLN  41          1HG       GLN  41   8.254 -11.100  -6.078
  324   1HE2  GLN  41          1HE2      GLN  41   7.695 -11.929  -8.077
  325   2HE2  GLN  41          2HE2      GLN  41   6.275 -12.884  -8.319
  326    H    TRP  42           H        TRP  42   5.557  -8.861  -3.107
  327    HA   TRP  42           HA       TRP  42   5.771  -6.871  -5.101
  328   1HB   TRP  42          2HB       TRP  42   3.595  -7.624  -4.355
  329   2HB   TRP  42          1HB       TRP  42   3.924  -7.068  -2.716
  330    HD1  TRP  42           HD       TRP  42   2.531  -4.975  -2.258
  331    HE1  TRP  42           1HE      TRP  42   1.904  -2.850  -3.555
  332    HE3  TRP  42           3HE      TRP  42   4.776  -6.044  -6.735
  333    HZ2  TRP  42           2HZ      TRP  42   2.297  -1.765  -6.125
  334    HZ3  TRP  42           3HZ      TRP  42   4.601  -4.404  -8.559
  335    HH2  TRP  42           HH       TRP  42   3.386  -2.307  -8.261
  336    H    GLN  43           H        GLN  43   6.187  -6.756  -1.569
  337    HA   GLN  43           HA       GLN  43   6.548  -3.975  -1.423
  338   1HB   GLN  43          2HB       GLN  43   7.452  -6.191   0.401
  339   2HB   GLN  43          1HB       GLN  43   7.712  -4.491   0.767
  340   1HG   GLN  43          2HG       GLN  43   5.237  -4.169   0.550
  341   2HG   GLN  43          1HG       GLN  43   5.093  -5.922   0.455
  342   1HE2  GLN  43          1HE2      GLN  43   7.281  -6.379   2.309
  343   2HE2  GLN  43          2HE2      GLN  43   6.669  -6.008   3.877
  344    H    HIS  44           H        HIS  44   8.908  -6.588  -1.873
  345    HA   HIS  44           HA       HIS  44  11.188  -4.925  -1.549
  346   1HB   HIS  44          2HB       HIS  44  11.102  -7.475  -1.453
  347   2HB   HIS  44          1HB       HIS  44  11.105  -7.439  -3.214
  348    HD1  HIS  44           1HD      HIS  44  13.388  -8.110  -3.919
  349    HD2  HIS  44           2HD      HIS  44  13.472  -5.483  -0.699
  350    HE1  HIS  44           1HE      HIS  44  15.821  -7.647  -3.483
  351    HE2  HIS  44           2HE      HIS  44  15.844  -6.224  -1.406
  352    H    LYS  45           H        LYS  45   9.300  -5.914  -4.369
  353    HA   LYS  45           HA       LYS  45  11.002  -4.598  -6.255
  354   1HB   LYS  45          2HB       LYS  45   9.330  -6.523  -6.671
  355   2HB   LYS  45          1HB       LYS  45   8.101  -5.269  -6.717
  356   1HG   LYS  45          2HG       LYS  45  10.529  -5.195  -8.481
  357   2HG   LYS  45          1HG       LYS  45   9.057  -6.051  -8.936
  358   1HD   LYS  45          2HD       LYS  45   9.075  -3.147  -8.149
  359   2HD   LYS  45          1HD       LYS  45   9.334  -3.678  -9.808
  360   1HE   LYS  45          2HE       LYS  45   6.921  -4.495  -8.206
  361   2HE   LYS  45          1HE       LYS  45   6.962  -3.017  -9.162
  362   1HZ   LYS  45          1HZ       LYS  45   7.315  -5.779 -10.182
  363   2HZ   LYS  45          2HZ       LYS  45   7.472  -4.385 -11.118
  364   3HZ   LYS  45          3HZ       LYS  45   5.976  -4.776 -10.436
  365    H    GLN  46           H        GLN  46   8.043  -3.751  -4.527
  366    HA   GLN  46           HA       GLN  46   7.557  -1.325  -5.871
  367   1HB   GLN  46          2HB       GLN  46   5.880  -2.503  -4.468
  368   2HB   GLN  46          1HB       GLN  46   6.805  -2.067  -3.038
  369   1HG   GLN  46          2HG       GLN  46   4.887  -0.601  -3.355
  370   2HG   GLN  46          1HG       GLN  46   6.409   0.285  -3.463
  371   1HE2  GLN  46          1HE2      GLN  46   5.422   1.942  -4.613
  372   2HE2  GLN  46          2HE2      GLN  46   4.944   1.778  -6.267
  373    H    THR  47           H        THR  47   9.445  -2.098  -2.971
  374    HA   THR  47           HA       THR  47  10.126   0.538  -2.278
  375    HB   THR  47           HB       THR  47  11.845  -1.926  -1.904
  376    HG1  THR  47           1HG      THR  47   9.795  -2.263  -0.993
  377   1HG2  THR  47          1HG2      THR  47  12.742  -0.701   0.020
  378   2HG2  THR  47          2HG2      THR  47  11.729   0.683  -0.387
  379   3HG2  THR  47          3HG2      THR  47  13.017   0.183  -1.482
  380    H    MET  48           H        MET  48  11.574  -1.766  -4.529
  381    HA   MET  48           HA       MET  48  13.778  -0.276  -5.377
  382   1HB   MET  48          2HB       MET  48  13.387  -2.602  -6.064
  383   2HB   MET  48          1HB       MET  48  11.980  -2.105  -6.990
  384   1HG   MET  48          2HG       MET  48  13.531  -0.671  -8.359
  385   2HG   MET  48          1HG       MET  48  14.861  -1.489  -7.548
  386   1HE   MET  48          1HE       MET  48  14.127  -5.242  -8.609
  387   2HE   MET  48          2HE       MET  48  13.445  -4.419  -7.208
  388   3HE   MET  48          3HE       MET  48  15.147  -4.202  -7.616
  389    H    LEU  49           H        LEU  49  10.440  -0.323  -6.594
  390    HA   LEU  49           HA       LEU  49  10.762   1.642  -8.575
  391   1HB   LEU  49          2HB       LEU  49   8.292   0.890  -7.014
  392   2HB   LEU  49          1HB       LEU  49   8.301   1.901  -8.445
  393    HG   LEU  49           HG       LEU  49   9.045  -1.015  -8.299
  394   1HD1  LEU  49          1HD1      LEU  49   7.092  -1.218  -9.842
  395   2HD1  LEU  49          2HD1      LEU  49   6.713   0.467  -9.490
  396   3HD1  LEU  49          3HD1      LEU  49   6.687  -0.732  -8.198
  397   1HD2  LEU  49          1HD2      LEU  49   9.054   0.852 -10.670
  398   2HD2  LEU  49          2HD2      LEU  49   9.303  -0.893 -10.727
  399   3HD2  LEU  49          3HD2      LEU  49  10.472   0.137  -9.904
  400    H    ILE  50           H        ILE  50   9.833   1.885  -5.169
  401    HA   ILE  50           HA       ILE  50   9.157   4.591  -5.125
  402    HB   ILE  50           HB       ILE  50  10.417   2.925  -2.938
  403   1HG1  ILE  50          2HG1      ILE  50   7.531   3.689  -3.431
  404   2HG1  ILE  50          1HG1      ILE  50   8.231   2.121  -3.812
  405   1HG2  ILE  50          1HG2      ILE  50  10.735   5.293  -2.480
  406   2HG2  ILE  50          2HG2      ILE  50   9.522   4.617  -1.392
  407   3HG2  ILE  50          3HG2      ILE  50   9.022   5.594  -2.772
  408   1HD1  ILE  50          1HD1      ILE  50   6.965   2.077  -1.734
  409   2HD1  ILE  50          2HD1      ILE  50   8.015   3.326  -1.064
  410   3HD1  ILE  50          3HD1      ILE  50   8.672   1.738  -1.452
  411    H    ASN  51           H        ASN  51  12.299   3.008  -4.897
  412    HA   ASN  51           HA       ASN  51  13.814   5.327  -4.307
  413   1HB   ASN  51          2HB       ASN  51  14.656   2.784  -5.719
  414   2HB   ASN  51          1HB       ASN  51  15.760   4.013  -5.119
  415   1HD2  ASN  51          1HD2      ASN  51  15.643   1.233  -4.430
  416   2HD2  ASN  51          2HD2      ASN  51  15.349   1.145  -2.727
  417    H    GLU  52           H        GLU  52  12.847   3.781  -7.326
  418    HA   GLU  52           HA       GLU  52  14.463   5.551  -8.924
  419   1HB   GLU  52          2HB       GLU  52  12.435   3.470  -9.751
  420   2HB   GLU  52          1HB       GLU  52  13.584   4.268 -10.814
  421   1HG   GLU  52          2HG       GLU  52  15.418   3.317  -9.403
  422   2HG   GLU  52          1HG       GLU  52  14.190   2.376  -8.561
  423    H    LYS  53           H        LYS  53  11.049   5.200  -8.130
  424    HA   LYS  53           HA       LYS  53  10.191   7.289  -9.907
  425   1HB   LYS  53          2HB       LYS  53   8.821   5.995  -7.538
  426   2HB   LYS  53          1HB       LYS  53   8.058   7.168  -8.600
  427   1HG   LYS  53          2HG       LYS  53   8.394   5.605 -10.495
  428   2HG   LYS  53          1HG       LYS  53   9.036   4.422  -9.353
  429   1HD   LYS  53          2HD       LYS  53   6.916   4.455  -8.125
  430   2HD   LYS  53          1HD       LYS  53   6.269   5.633  -9.266
  431   1HE   LYS  53          2HE       LYS  53   6.606   3.978 -11.081
  432   2HE   LYS  53          1HE       LYS  53   7.121   2.805  -9.872
  433   1HZ   LYS  53          1HZ       LYS  53   4.925   3.023  -8.816
  434   2HZ   LYS  53          2HZ       LYS  53   4.814   2.478 -10.411
  435   3HZ   LYS  53          3HZ       LYS  53   4.449   4.085 -10.050
  436    H    LYS  54           H        LYS  54  11.635   7.124  -6.822
  437    HA   LYS  54           HA       LYS  54  12.206   8.649  -5.240
  438   1HB   LYS  54          2HB       LYS  54  11.692  10.600  -7.495
  439   2HB   LYS  54          1HB       LYS  54  12.543  10.982  -6.003
  440   1HG   LYS  54          2HG       LYS  54  14.326   9.490  -6.551
  441   2HG   LYS  54          1HG       LYS  54  13.438   8.853  -7.936
  442   1HD   LYS  54          2HD       LYS  54  15.121  10.390  -8.718
  443   2HD   LYS  54          1HD       LYS  54  13.531  11.108  -8.970
  444   1HE   LYS  54          2HE       LYS  54  13.825  12.431  -6.921
  445   2HE   LYS  54          1HE       LYS  54  15.427  11.727  -6.705
  446   1HZ   LYS  54          1HZ       LYS  54  16.100  12.707  -8.805
  447   2HZ   LYS  54          2HZ       LYS  54  15.544  13.903  -7.748
  448   3HZ   LYS  54          3HZ       LYS  54  14.563  13.373  -9.018
  449    H    LEU  55           H        LEU  55   9.668   7.720  -5.071
  450    HA   LEU  55           HA       LEU  55   7.597   9.598  -5.134
  451   1HB   LEU  55          2HB       LEU  55   7.847   7.081  -3.498
  452   2HB   LEU  55          1HB       LEU  55   6.372   8.006  -3.673
  453    HG   LEU  55           HG       LEU  55   7.834   6.524  -5.852
  454   1HD1  LEU  55          1HD1      LEU  55   5.115   6.115  -4.625
  455   2HD1  LEU  55          2HD1      LEU  55   6.541   5.127  -4.311
  456   3HD1  LEU  55          3HD1      LEU  55   5.829   5.159  -5.923
  457   1HD2  LEU  55          1HD2      LEU  55   5.366   8.250  -5.992
  458   2HD2  LEU  55          2HD2      LEU  55   5.936   7.192  -7.281
  459   3HD2  LEU  55          3HD2      LEU  55   6.918   8.565  -6.769
  460    H    ASN  56           H        ASN  56   7.130  11.237  -3.911
  461    HA   ASN  56           HA       ASN  56   8.300  11.488  -1.247
  462   1HB   ASN  56          2HB       ASN  56   8.502  13.433  -2.682
  463   2HB   ASN  56          1HB       ASN  56   6.768  13.443  -2.976
  464   1HD2  ASN  56          1HD2      ASN  56   6.607  15.543  -2.229
  465   2HD2  ASN  56          2HD2      ASN  56   6.712  15.936  -0.549
  466    H    MET  57           H        MET  57   7.185  10.669   0.386
  467    HA   MET  57           HA       MET  57   4.380  10.069   0.141
  468   1HB   MET  57          2HB       MET  57   6.441   9.591   2.269
  469   2HB   MET  57          1HB       MET  57   4.736   9.330   2.600
  470   1HG   MET  57          2HG       MET  57   5.776   7.249   2.003
  471   2HG   MET  57          1HG       MET  57   4.636   7.726   0.748
  472   1HE   MET  57          1HE       MET  57   5.663   5.975  -0.917
  473   2HE   MET  57          2HE       MET  57   6.808   5.461   0.324
  474   3HE   MET  57          3HE       MET  57   7.382   5.863  -1.295
  475    H    MET  58           H        MET  58   5.984  12.838   0.901
  476    HA   MET  58           HA       MET  58   4.137  13.756   2.949
  477   1HB   MET  58          2HB       MET  58   6.283  15.270   1.444
  478   2HB   MET  58          1HB       MET  58   5.393  15.866   2.839
  479   1HG   MET  58          2HG       MET  58   6.349  14.061   4.199
  480   2HG   MET  58          1HG       MET  58   7.270  13.513   2.802
  481   1HE   MET  58          1HE       MET  58   9.683  16.569   2.224
  482   2HE   MET  58          2HE       MET  58   8.077  16.394   1.520
  483   3HE   MET  58          3HE       MET  58   9.152  14.999   1.621
  484    H    ASN  59           H        ASN  59   3.877  13.219  -0.215
  485    HA   ASN  59           HA       ASN  59   1.966  15.422  -0.615
  486   1HB   ASN  59          2HB       ASN  59   3.746  15.865  -2.128
  487   2HB   ASN  59          1HB       ASN  59   3.883  14.170  -2.580
  488   1HD2  ASN  59          1HD2      ASN  59   2.052  17.110  -2.984
  489   2HD2  ASN  59          2HD2      ASN  59   1.177  16.598  -4.385
  490    H    ALA  60           H        ALA  60  -0.040  14.866  -1.309
  491    HA   ALA  60           HA       ALA  60  -0.897  12.262  -0.681
  492   1HB   ALA  60          1HB       ALA  60  -2.270  14.277  -0.392
  493   2HB   ALA  60          2HB       ALA  60  -3.105  13.011  -1.293
  494   3HB   ALA  60          3HB       ALA  60  -2.427  14.397  -2.145
  495    H    GLU  61           H        GLU  61  -0.132  13.747  -3.779
  496    HA   GLU  61           HA       GLU  61  -1.621  11.926  -5.356
  497   1HB   GLU  61          2HB       GLU  61   0.752  13.591  -6.197
  498   2HB   GLU  61          1HB       GLU  61  -0.407  12.821  -7.271
  499   1HG   GLU  61          2HG       GLU  61  -0.813  15.163  -5.448
  500   2HG   GLU  61          1HG       GLU  61  -1.056  15.060  -7.190
  501    H    HIS  62           H        HIS  62   1.719  11.918  -4.218
  502    HA   HIS  62           HA       HIS  62   2.327   9.526  -5.736
  503   1HB   HIS  62          2HB       HIS  62   3.941  10.800  -3.513
  504   2HB   HIS  62          1HB       HIS  62   4.504   9.578  -4.649
  505    HD1  HIS  62           1HD      HIS  62   4.554  10.421  -7.254
  506    HD2  HIS  62           2HD      HIS  62   4.342  13.347  -4.313
  507    HE1  HIS  62           1HE      HIS  62   5.189  12.569  -8.390
  508    HE2  HIS  62           2HE      HIS  62   4.881  14.346  -6.633
  509    H    ARG  63           H        ARG  63   1.123  10.365  -2.623
  510    HA   ARG  63           HA       ARG  63   1.605   7.879  -1.328
  511   1HB   ARG  63          2HB       ARG  63   1.182   9.883  -0.031
  512   2HB   ARG  63          1HB       ARG  63  -0.398  10.073  -0.774
  513   1HG   ARG  63          2HG       ARG  63  -0.616   9.207   1.468
  514   2HG   ARG  63          1HG       ARG  63  -1.145   8.003   0.295
  515   1HD   ARG  63          2HD       ARG  63   1.109   6.946   0.478
  516   2HD   ARG  63          1HD       ARG  63   1.476   8.073   1.781
  517    HE   ARG  63           HE       ARG  63  -0.119   6.992   3.142
  518   1HH1  ARG  63          1HH1      ARG  63   0.298   5.451   0.026
  519   2HH1  ARG  63          2HH1      ARG  63  -0.476   3.967   0.510
  520   1HH2  ARG  63          1HH2      ARG  63  -1.145   5.022   3.769
  521   2HH2  ARG  63          2HH2      ARG  63  -1.277   3.728   2.618
  522    H    LYS  64           H        LYS  64  -1.195   9.257  -3.037
  523    HA   LYS  64           HA       LYS  64  -2.849   6.976  -2.704
  524   1HB   LYS  64          2HB       LYS  64  -4.297   7.965  -4.382
  525   2HB   LYS  64          1HB       LYS  64  -3.744   9.215  -3.278
  526   1HG   LYS  64          2HG       LYS  64  -2.091   9.937  -4.921
  527   2HG   LYS  64          1HG       LYS  64  -2.636   8.680  -6.028
  528   1HD   LYS  64          2HD       LYS  64  -3.589  10.836  -6.629
  529   2HD   LYS  64          1HD       LYS  64  -4.853   9.719  -6.107
  530   1HE   LYS  64          2HE       LYS  64  -5.075  10.801  -4.019
  531   2HE   LYS  64          1HE       LYS  64  -3.579  11.707  -4.245
  532   1HZ   LYS  64          1HZ       LYS  64  -5.618  13.027  -4.603
  533   2HZ   LYS  64          2HZ       LYS  64  -5.995  12.048  -5.929
  534   3HZ   LYS  64          3HZ       LYS  64  -4.590  12.999  -5.950
  535    H    LEU  65           H        LEU  65  -0.504   7.948  -5.135
  536    HA   LEU  65           HA       LEU  65  -1.018   6.019  -7.083
  537   1HB   LEU  65          2HB       LEU  65   0.500   7.883  -7.453
  538   2HB   LEU  65          1HB       LEU  65   1.600   7.263  -6.237
  539    HG   LEU  65           HG       LEU  65   2.040   5.290  -7.656
  540   1HD1  LEU  65          1HD1      LEU  65  -0.057   5.184  -8.865
  541   2HD1  LEU  65          2HD1      LEU  65   1.294   5.305  -9.993
  542   3HD1  LEU  65          3HD1      LEU  65   0.298   6.721  -9.656
  543   1HD2  LEU  65          1HD2      LEU  65   3.503   7.239  -7.778
  544   2HD2  LEU  65          2HD2      LEU  65   2.478   7.938  -9.033
  545   3HD2  LEU  65          3HD2      LEU  65   3.364   6.447  -9.346
  546    H    LEU  66           H        LEU  66   0.946   5.888  -4.163
  547    HA   LEU  66           HA       LEU  66   2.046   3.345  -4.468
  548   1HB   LEU  66          2HB       LEU  66   2.670   5.014  -2.728
  549   2HB   LEU  66          1HB       LEU  66   1.165   4.669  -1.899
  550    HG   LEU  66           HG       LEU  66   1.930   2.303  -1.631
  551   1HD1  LEU  66          1HD1      LEU  66   3.534   2.216  -3.454
  552   2HD1  LEU  66          2HD1      LEU  66   4.318   1.831  -1.922
  553   3HD1  LEU  66          3HD1      LEU  66   4.539   3.423  -2.650
  554   1HD2  LEU  66          1HD2      LEU  66   2.122   3.889   0.193
  555   2HD2  LEU  66          2HD2      LEU  66   3.663   4.466  -0.439
  556   3HD2  LEU  66          3HD2      LEU  66   3.523   2.818   0.175
  557    H    GLU  67           H        GLU  67  -0.967   4.327  -2.826
  558    HA   GLU  67           HA       GLU  67  -1.884   1.765  -2.139
  559   1HB   GLU  67          2HB       GLU  67  -3.515   4.199  -2.893
  560   2HB   GLU  67          1HB       GLU  67  -4.126   2.788  -2.043
  561   1HG   GLU  67          2HG       GLU  67  -1.985   4.627  -1.012
  562   2HG   GLU  67          1HG       GLU  67  -3.689   4.709  -0.573
  563    H    GLN  68           H        GLN  68  -2.358   3.705  -5.024
  564    HA   GLN  68           HA       GLN  68  -4.262   2.206  -6.348
  565   1HB   GLN  68          2HB       GLN  68  -2.037   3.984  -7.299
  566   2HB   GLN  68          1HB       GLN  68  -3.125   3.208  -8.434
  567   1HG   GLN  68          2HG       GLN  68  -4.997   4.370  -7.601
  568   2HG   GLN  68          1HG       GLN  68  -4.122   4.898  -6.166
  569   1HE2  GLN  68          1HE2      GLN  68  -2.641   4.957  -9.305
  570   2HE2  GLN  68          2HE2      GLN  68  -2.633   6.672  -9.490
  571    H    GLU  69           H        GLU  69  -0.708   2.012  -6.899
  572    HA   GLU  69           HA       GLU  69  -1.106  -0.252  -8.602
  573   1HB   GLU  69          2HB       GLU  69   1.378  -0.351  -8.707
  574   2HB   GLU  69          1HB       GLU  69   0.690   1.192  -9.173
  575   1HG   GLU  69          2HG       GLU  69   1.272   2.088  -6.945
  576   2HG   GLU  69          1HG       GLU  69   2.043   0.548  -6.561
  577    H    MET  70           H        MET  70  -0.409   0.169  -5.227
  578    HA   MET  70           HA       MET  70   0.617  -2.359  -4.611
  579   1HB   MET  70          2HB       MET  70   0.553  -0.485  -3.014
  580   2HB   MET  70          1HB       MET  70  -1.199  -0.611  -2.939
  581   1HG   MET  70          2HG       MET  70  -0.890  -2.954  -2.097
  582   2HG   MET  70          1HG       MET  70   0.832  -2.600  -1.966
  583   1HE   MET  70          1HE       MET  70   0.728   0.403   0.631
  584   2HE   MET  70          2HE       MET  70   0.507   0.595  -1.108
  585   3HE   MET  70          3HE       MET  70   1.742  -0.503  -0.493
  586    H    VAL  71           H        VAL  71  -2.750  -1.225  -4.408
  587    HA   VAL  71           HA       VAL  71  -3.775  -3.803  -3.798
  588    HB   VAL  71           HB       VAL  71  -5.232  -1.354  -4.806
  589   1HG1  VAL  71          1HG1      VAL  71  -6.297  -3.813  -3.415
  590   2HG1  VAL  71          2HG1      VAL  71  -6.555  -3.382  -5.105
  591   3HG1  VAL  71          3HG1      VAL  71  -7.231  -2.373  -3.826
  592   1HG2  VAL  71          1HG2      VAL  71  -4.030  -0.923  -2.730
  593   2HG2  VAL  71          2HG2      VAL  71  -4.776  -2.341  -1.990
  594   3HG2  VAL  71          3HG2      VAL  71  -5.770  -0.959  -2.449
  595    H    SER  72           H        SER  72  -3.232  -2.069  -6.788
  596    HA   SER  72           HA       SER  72  -4.890  -3.694  -8.418
  597   1HB   SER  72          2HB       SER  72  -4.015  -1.420  -9.038
  598   2HB   SER  72          1HB       SER  72  -2.435  -2.158  -9.290
  599    HG   SER  72           HG       SER  72  -3.352  -3.455 -10.912
  600    H    PHE  73           H        PHE  73  -1.682  -4.086  -7.123
  601    HA   PHE  73           HA       PHE  73  -1.103  -6.319  -8.888
  602   1HB   PHE  73          2HB       PHE  73   0.696  -4.761  -8.182
  603   2HB   PHE  73          1HB       PHE  73   0.449  -5.263  -6.515
  604    HD1  PHE  73           1HD      PHE  73   1.780  -6.211  -9.782
  605    HD2  PHE  73           2HD      PHE  73   1.213  -7.427  -5.744
  606    HE1  PHE  73           1HE      PHE  73   3.420  -8.016 -10.098
  607    HE2  PHE  73           2HE      PHE  73   2.853  -9.235  -6.055
  608    HZ   PHE  73           HZ       PHE  73   3.960  -9.530  -8.233
  609    H    LEU  74           H        LEU  74  -1.728  -5.747  -5.443
  610    HA   LEU  74           HA       LEU  74  -1.453  -8.502  -4.750
  611   1HB   LEU  74          2HB       LEU  74  -2.560  -6.164  -3.208
  612   2HB   LEU  74          1HB       LEU  74  -2.292  -7.757  -2.531
  613    HG   LEU  74           HG       LEU  74  -0.149  -5.940  -3.639
  614   1HD1  LEU  74          1HD1      LEU  74  -1.090  -5.142  -1.528
  615   2HD1  LEU  74          2HD1      LEU  74   0.563  -5.722  -1.323
  616   3HD1  LEU  74          3HD1      LEU  74  -0.794  -6.721  -0.801
  617   1HD2  LEU  74          1HD2      LEU  74   1.423  -7.568  -2.719
  618   2HD2  LEU  74          2HD2      LEU  74   0.394  -8.306  -3.947
  619   3HD2  LEU  74          3HD2      LEU  74   0.079  -8.602  -2.238
  620    H    PHE  75           H        PHE  75  -4.213  -6.395  -5.408
  621    HA   PHE  75           HA       PHE  75  -6.016  -8.623  -4.747
  622   1HB   PHE  75          2HB       PHE  75  -6.458  -6.512  -3.563
  623   2HB   PHE  75          1HB       PHE  75  -6.640  -5.681  -5.106
  624    HD1  PHE  75           1HD      PHE  75  -8.086  -8.382  -3.018
  625    HD2  PHE  75           2HD      PHE  75  -8.704  -5.603  -6.179
  626    HE1  PHE  75           1HE      PHE  75 -10.482  -8.930  -3.024
  627    HE2  PHE  75           2HE      PHE  75 -11.104  -6.144  -6.190
  628    HZ   PHE  75           HZ       PHE  75 -11.996  -7.810  -4.612
  629    H    GLU  76           H        GLU  76  -5.196  -6.320  -7.281
  630    HA   GLU  76           HA       GLU  76  -5.602  -6.266  -9.513
  631   1HB   GLU  76          2HB       GLU  76  -6.502  -9.110  -9.038
  632   2HB   GLU  76          1HB       GLU  76  -6.474  -8.363 -10.629
  633   1HG   GLU  76          2HG       GLU  76  -4.020  -8.429  -8.926
  634   2HG   GLU  76          1HG       GLU  76  -4.492  -9.826  -9.891
  635    H    GLY  77           H        GLY  77  -7.099  -4.640  -9.333
  636   1HA   GLY  77          2HA       GLY  77  -9.387  -4.449 -10.476
  637   2HA   GLY  77          1HA       GLY  77  -9.922  -5.442  -9.127
  638    H    LYS  78           H        LYS  78  -8.078  -2.454  -9.711
  639    HA   LYS  78           HA       LYS  78  -9.032  -1.392  -7.191
  640   1HB   LYS  78          2HB       LYS  78  -6.858  -0.747  -9.049
  641   2HB   LYS  78          1HB       LYS  78  -7.645   0.661  -8.354
  642   1HG   LYS  78          2HG       LYS  78  -6.463  -1.625  -6.803
  643   2HG   LYS  78          1HG       LYS  78  -5.710  -0.048  -7.042
  644   1HD   LYS  78          2HD       LYS  78  -8.353  -0.531  -5.661
  645   2HD   LYS  78          1HD       LYS  78  -6.822  -0.251  -4.841
  646   1HE   LYS  78          2HE       LYS  78  -6.686   1.971  -5.824
  647   2HE   LYS  78          1HE       LYS  78  -8.183   1.683  -6.711
  648   1HZ   LYS  78          1HZ       LYS  78  -9.411   1.586  -4.691
  649   2HZ   LYS  78          2HZ       LYS  78  -8.457   2.985  -4.620
  650   3HZ   LYS  78          3HZ       LYS  78  -8.003   1.613  -3.751
  651    H    ASP  79           H        ASP  79 -10.592   0.012  -6.923
  652    HA   ASP  79           HA       ASP  79 -12.326   0.847  -8.974
  653   1HB   ASP  79          2HB       ASP  79 -13.271   2.358  -7.214
  654   2HB   ASP  79          1HB       ASP  79 -13.105   0.689  -6.680
  655    H    VAL  80           H        VAL  80  -9.833   2.593  -7.150
  656    HA   VAL  80           HA       VAL  80  -9.980   4.983  -8.632
  657    HB   VAL  80           HB       VAL  80  -7.620   3.869  -7.096
  658   1HG1  VAL  80          1HG1      VAL  80  -8.204   6.680  -8.024
  659   2HG1  VAL  80          2HG1      VAL  80  -6.942   5.619  -8.648
  660   3HG1  VAL  80          3HG1      VAL  80  -6.860   6.201  -6.986
  661   1HG2  VAL  80          1HG2      VAL  80  -9.593   4.114  -5.691
  662   2HG2  VAL  80          2HG2      VAL  80  -9.786   5.781  -6.234
  663   3HG2  VAL  80          3HG2      VAL  80  -8.375   5.322  -5.280
  664    H    HIS  81           H        HIS  81  -9.277   5.447 -10.602
  665    HA   HIS  81           HA       HIS  81  -7.985   3.417 -12.182
  666   1HB   HIS  81          2HB       HIS  81  -8.754   6.259 -12.883
  667   2HB   HIS  81          1HB       HIS  81  -8.187   5.050 -14.028
  668    HD1  HIS  81           1HD      HIS  81  -9.888   3.437 -14.949
  669    HD2  HIS  81           2HD      HIS  81 -11.370   5.743 -11.826
  670    HE1  HIS  81           1HE      HIS  81 -12.363   3.003 -14.900
  671    HE2  HIS  81           2HE      HIS  81 -13.209   4.278 -12.904
  672    H    ILE  82           H        ILE  82  -5.868   3.142 -12.275
  673    HA   ILE  82           HA       ILE  82  -4.066   4.949 -11.015
  674    HB   ILE  82           HB       ILE  82  -3.304   2.705 -12.887
  675   1HG1  ILE  82          2HG1      ILE  82  -3.978   2.630  -9.941
  676   2HG1  ILE  82          1HG1      ILE  82  -4.815   1.790 -11.234
  677   1HG2  ILE  82          1HG2      ILE  82  -1.254   2.650 -11.545
  678   2HG2  ILE  82          2HG2      ILE  82  -1.852   3.997 -10.574
  679   3HG2  ILE  82          3HG2      ILE  82  -1.494   4.232 -12.286
  680   1HD1  ILE  82          1HD1      ILE  82  -1.985   1.264 -10.368
  681   2HD1  ILE  82          2HD1      ILE  82  -2.882   0.388 -11.610
  682   3HD1  ILE  82          3HD1      ILE  82  -3.394   0.302  -9.925
  683    H    GLU  83           H        GLU  83  -3.338   6.778 -11.822
  684    HA   GLU  83           HA       GLU  83  -2.647   8.413 -13.234
  685   1HB   GLU  83          2HB       GLU  83  -1.077   6.625 -14.032
  686   2HB   GLU  83          1HB       GLU  83  -2.247   6.210 -15.272
  687   1HG   GLU  83          2HG       GLU  83  -0.426   7.606 -16.122
  688   2HG   GLU  83          1HG       GLU  83  -2.002   8.377 -16.294
  689    H    GLY  84           H        GLY  84  -5.426   7.233 -13.162
  690   1HA   GLY  84          2HA       GLY  84  -6.442   8.859 -15.374
  691   2HA   GLY  84          1HA       GLY  84  -6.983   7.190 -15.256
  692    H    TYR  85           H        TYR  85  -6.313   9.106 -12.431
  693    HA   TYR  85           HA       TYR  85  -9.078   8.784 -11.607
  694   1HB   TYR  85          2HB       TYR  85  -8.306   9.554  -9.402
  695   2HB   TYR  85          1HB       TYR  85  -7.336   8.213  -9.990
  696    HD1  TYR  85           1HD      TYR  85  -4.998   8.500 -10.503
  697    HD2  TYR  85           2HD      TYR  85  -7.360  11.817  -9.261
  698    HE1  TYR  85           1HE      TYR  85  -2.951   9.803 -10.101
  699    HE2  TYR  85           2HE      TYR  85  -5.320  13.129  -8.865
  700    HH   TYR  85           HH       TYR  85  -2.962  12.741  -8.370
  701    H    THR  86           H        THR  86  -9.976  10.763 -10.314
  702    HA   THR  86           HA       THR  86  -9.828  13.007 -12.196
  703    HB   THR  86           HB       THR  86 -12.053  13.651 -11.303
  704    HG1  THR  86           1HG      THR  86 -12.932  11.537 -10.124
  705   1HG2  THR  86          1HG2      THR  86 -11.872  10.801 -12.274
  706   2HG2  THR  86          2HG2      THR  86 -11.914  12.240 -13.291
  707   3HG2  THR  86          3HG2      THR  86 -13.317  11.809 -12.311
  708    HA   PRO  87           HA       PRO  87  -8.250  15.774  -9.066
  709   1HB   PRO  87          2HB       PRO  87 -10.064  17.828 -10.164
  710   2HB   PRO  87          1HB       PRO  87  -8.301  17.831 -10.058
  711   1HG   PRO  87          2HG       PRO  87  -9.550  17.527 -12.405
  712   2HG   PRO  87          1HG       PRO  87  -8.047  16.659 -12.037
  713   1HD   PRO  87          2HD       PRO  87 -10.875  15.666 -11.982
  714   2HD   PRO  87          1HD       PRO  87  -9.410  14.863 -12.589
  715    H    GLU  88           H        GLU  88 -11.566  15.067  -9.516
  716    HA   GLU  88           HA       GLU  88 -12.771  16.480  -7.416
  717   1HB   GLU  88          2HB       GLU  88 -13.959  15.246  -9.231
  718   2HB   GLU  88          1HB       GLU  88 -13.479  13.736  -8.471
  719   1HG   GLU  88          2HG       GLU  88 -14.756  14.356  -6.471
  720   2HG   GLU  88          1HG       GLU  88 -15.267  15.842  -7.275
  721    H    ASP  89           H        ASP  89 -11.183  13.350  -7.563
  722    HA   ASP  89           HA       ASP  89  -9.968  12.200  -6.054
  723   1HB   ASP  89          2HB       ASP  89  -9.229  14.457  -5.241
  724   2HB   ASP  89          1HB       ASP  89 -10.521  14.390  -4.047
  725    H    LYS  90           H        LYS  90 -12.483  13.699  -4.011
  726    HA   LYS  90           HA       LYS  90 -13.871  11.204  -3.709
  727   1HB   LYS  90          2HB       LYS  90 -13.512  11.022  -1.262
  728   2HB   LYS  90          1HB       LYS  90 -12.041  10.752  -2.186
  729   1HG   LYS  90          2HG       LYS  90 -11.301  13.022  -1.698
  730   2HG   LYS  90          1HG       LYS  90 -12.784  13.313  -0.787
  731   1HD   LYS  90          2HD       LYS  90 -12.176  11.608   0.819
  732   2HD   LYS  90          1HD       LYS  90 -10.744  11.192  -0.127
  733   1HE   LYS  90          2HE       LYS  90 -11.266  13.880   1.135
  734   2HE   LYS  90          1HE       LYS  90 -10.236  12.628   1.823
  735   1HZ   LYS  90          1HZ       LYS  90  -9.048  14.395   0.554
  736   2HZ   LYS  90          2HZ       LYS  90  -9.782  13.816  -0.859
  737   3HZ   LYS  90          3HZ       LYS  90  -8.735  12.825   0.018
  738    H    LYS  91           H        LYS  91 -15.587  11.456  -1.933
  739    HA   LYS  91           HA       LYS  91 -16.819  14.079  -2.268
  740   1HB   LYS  91          2HB       LYS  91 -17.926  11.487  -1.159
  741   2HB   LYS  91          1HB       LYS  91 -18.845  12.970  -1.375
  742   1HG   LYS  91          2HG       LYS  91 -18.640  12.841  -3.748
  743   2HG   LYS  91          1HG       LYS  91 -17.496  11.504  -3.623
  744   1HD   LYS  91          2HD       LYS  91 -19.721  10.706  -4.243
  745   2HD   LYS  91          1HD       LYS  91 -19.239  10.091  -2.662
  746   1HE   LYS  91          2HE       LYS  91 -20.578  11.855  -1.592
  747   2HE   LYS  91          1HE       LYS  91 -21.083  12.418  -3.184
  748   1HZ   LYS  91          1HZ       LYS  91 -21.618   9.711  -2.087
  749   2HZ   LYS  91          2HZ       LYS  91 -22.157  10.313  -3.573
  750   3HZ   LYS  91          3HZ       LYS  91 -22.740  10.978  -2.134
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -0.109 -21.168  14.140
    2   2H    MET   1          2HT       MET   1   1.056 -21.019  15.352
    3   3H    MET   1          3HT       MET   1   1.056 -22.375  14.346
    4    HA   MET   1           HA       MET   1   1.605 -19.584  13.535
    5   1HB   MET   1          2HB       MET   1   3.388 -22.014  13.774
    6   2HB   MET   1          1HB       MET   1   3.865 -20.523  12.974
    7   1HG   MET   1          2HG       MET   1   3.588 -19.310  15.072
    8   2HG   MET   1          1HG       MET   1   3.108 -20.805  15.874
    9   1HE   MET   1          1HE       MET   1   4.973 -20.292  17.710
   10   2HE   MET   1          2HE       MET   1   5.493 -18.847  16.845
   11   3HE   MET   1          3HE       MET   1   6.680 -20.055  17.335
   12    H    SER   2           H        SER   2   1.357 -22.975  12.529
   13    HA   SER   2           HA       SER   2   1.654 -22.406   9.758
   14   1HB   SER   2          2HB       SER   2   0.382 -24.858  10.987
   15   2HB   SER   2          1HB       SER   2   1.186 -24.729   9.421
   16    HG   SER   2           HG       SER   2   3.145 -24.352  10.541
   17    H    ARG   3           H        ARG   3   0.189 -21.202   8.717
   18    HA   ARG   3           HA       ARG   3  -2.606 -22.044   8.826
   19   1HB   ARG   3          2HB       ARG   3  -2.302 -20.114  10.405
   20   2HB   ARG   3          1HB       ARG   3  -1.792 -19.138   9.035
   21   1HG   ARG   3          2HG       ARG   3  -3.992 -19.563   7.979
   22   2HG   ARG   3          1HG       ARG   3  -4.491 -20.403   9.446
   23   1HD   ARG   3          2HD       ARG   3  -4.024 -18.326  10.728
   24   2HD   ARG   3          1HD       ARG   3  -3.687 -17.507   9.204
   25    HE   ARG   3           HE       ARG   3  -6.299 -18.789   9.595
   26   1HH1  ARG   3          1HH1      ARG   3  -4.402 -15.866   9.191
   27   2HH1  ARG   3          2HH1      ARG   3  -5.785 -14.855   8.935
   28   1HH2  ARG   3          1HH2      ARG   3  -8.117 -17.461   9.266
   29   2HH2  ARG   3          2HH2      ARG   3  -7.903 -15.764   8.978
   30    H    THR   4           H        THR   4  -2.856 -22.695   6.775
   31    HA   THR   4           HA       THR   4  -1.684 -21.072   4.640
   32    HB   THR   4           HB       THR   4  -2.402 -23.124   3.225
   33    HG1  THR   4           1HG      THR   4  -3.631 -24.258   4.684
   34   1HG2  THR   4          1HG2      THR   4  -0.293 -24.235   3.715
   35   2HG2  THR   4          2HG2      THR   4  -0.195 -23.417   5.272
   36   3HG2  THR   4          3HG2      THR   4  -0.072 -22.488   3.779
   37    H    ILE   5           H        ILE   5  -2.879 -19.857   3.382
   38    HA   ILE   5           HA       ILE   5  -5.795 -20.282   3.334
   39    HB   ILE   5           HB       ILE   5  -5.937 -17.800   2.809
   40   1HG1  ILE   5          2HG1      ILE   5  -3.987 -16.498   3.900
   41   2HG1  ILE   5          1HG1      ILE   5  -3.050 -17.968   3.669
   42   1HG2  ILE   5          1HG2      ILE   5  -5.845 -17.148   5.163
   43   2HG2  ILE   5          2HG2      ILE   5  -4.935 -18.611   5.534
   44   3HG2  ILE   5          3HG2      ILE   5  -6.597 -18.730   4.958
   45   1HD1  ILE   5          1HD1      ILE   5  -2.648 -16.373   1.889
   46   2HD1  ILE   5          2HD1      ILE   5  -4.370 -16.345   1.504
   47   3HD1  ILE   5          3HD1      ILE   5  -3.435 -17.821   1.261
   48    H    PHE   6           H        PHE   6  -6.681 -18.920   1.325
   49    HA   PHE   6           HA       PHE   6  -5.248 -19.979  -0.996
   50   1HB   PHE   6          2HB       PHE   6  -8.063 -18.880  -0.788
   51   2HB   PHE   6          1HB       PHE   6  -7.344 -19.587  -2.231
   52    HD1  PHE   6           1HD      PHE   6  -6.589 -22.019  -2.106
   53    HD2  PHE   6           2HD      PHE   6  -9.156 -20.213   0.768
   54    HE1  PHE   6           1HE      PHE   6  -7.349 -24.248  -1.390
   55    HE2  PHE   6           2HE      PHE   6  -9.918 -22.436   1.493
   56    HZ   PHE   6           HZ       PHE   6  -9.012 -24.456   0.416
   57    H    CYS   7           H        CYS   7  -3.725 -18.558  -1.588
   58    HA   CYS   7           HA       CYS   7  -4.108 -15.726  -1.306
   59   1HB   CYS   7          2HB       CYS   7  -1.889 -16.700  -0.978
   60   2HB   CYS   7          1HB       CYS   7  -1.880 -17.281  -2.639
   61    HG   CYS   7           HG       CYS   7  -2.310 -13.963  -2.210
   62    H    THR   8           H        THR   8  -4.492 -14.226  -2.841
   63    HA   THR   8           HA       THR   8  -6.018 -14.965  -5.089
   64    HB   THR   8           HB       THR   8  -5.720 -12.472  -5.656
   65    HG1  THR   8           1HG      THR   8  -4.669 -11.235  -4.147
   66   1HG2  THR   8          1HG2      THR   8  -6.829 -13.325  -2.975
   67   2HG2  THR   8          2HG2      THR   8  -7.694 -13.299  -4.512
   68   3HG2  THR   8          3HG2      THR   8  -7.175 -11.788  -3.765
   69    H    TYR   9           H        TYR   9  -2.707 -13.721  -4.810
   70    HA   TYR   9           HA       TYR   9  -2.382 -13.594  -7.662
   71   1HB   TYR   9          2HB       TYR   9  -1.286 -12.035  -5.994
   72   2HB   TYR   9          1HB       TYR   9  -0.212 -13.367  -5.572
   73    HD1  TYR   9           1HD      TYR   9   1.656 -13.905  -6.935
   74    HD2  TYR   9           2HD      TYR   9  -1.241 -11.114  -8.319
   75    HE1  TYR   9           1HE      TYR   9   3.143 -13.292  -8.796
   76    HE2  TYR   9           2HE      TYR   9   0.236 -10.493 -10.183
   77    HH   TYR   9           HH       TYR   9   2.912 -12.317 -11.085
   78    H    LEU  10           H        LEU  10  -1.541 -15.857  -5.117
   79    HA   LEU  10           HA       LEU  10   0.166 -17.383  -6.896
   80   1HB   LEU  10          2HB       LEU  10  -0.574 -17.619  -4.010
   81   2HB   LEU  10          1HB       LEU  10   0.091 -19.011  -4.840
   82    HG   LEU  10           HG       LEU  10   2.085 -17.605  -5.437
   83   1HD1  LEU  10          1HD1      LEU  10   0.839 -15.675  -3.492
   84   2HD1  LEU  10          2HD1      LEU  10   1.122 -15.404  -5.212
   85   3HD1  LEU  10          3HD1      LEU  10   2.488 -15.583  -4.110
   86   1HD2  LEU  10          1HD2      LEU  10   1.481 -17.995  -2.510
   87   2HD2  LEU  10          2HD2      LEU  10   3.084 -17.743  -3.203
   88   3HD2  LEU  10          3HD2      LEU  10   2.166 -19.191  -3.611
   89    H    GLN  11           H        GLN  11  -3.093 -17.528  -5.633
   90    HA   GLN  11           HA       GLN  11  -4.839 -18.918  -5.996
   91   1HB   GLN  11          2HB       GLN  11  -3.286 -19.357  -8.543
   92   2HB   GLN  11          1HB       GLN  11  -4.863 -20.084  -8.257
   93   1HG   GLN  11          2HG       GLN  11  -4.313 -17.127  -8.176
   94   2HG   GLN  11          1HG       GLN  11  -4.950 -17.991  -9.574
   95   1HE2  GLN  11          1HE2      GLN  11  -6.084 -15.859  -7.825
   96   2HE2  GLN  11          2HE2      GLN  11  -7.613 -16.481  -7.308
   97    H    ARG  12           H        ARG  12  -2.909 -19.866  -4.318
   98    HA   ARG  12           HA       ARG  12  -3.280 -22.742  -4.584
   99   1HB   ARG  12          2HB       ARG  12  -0.670 -21.359  -4.666
  100   2HB   ARG  12          1HB       ARG  12  -0.768 -22.729  -3.578
  101   1HG   ARG  12          2HG       ARG  12  -1.743 -23.962  -5.649
  102   2HG   ARG  12          1HG       ARG  12  -0.960 -22.657  -6.548
  103   1HD   ARG  12          2HD       ARG  12   0.489 -24.658  -6.255
  104   2HD   ARG  12          1HD       ARG  12   1.172 -23.185  -5.564
  105    HE   ARG  12           HE       ARG  12  -0.347 -24.824  -3.712
  106   1HH1  ARG  12          1HH1      ARG  12   2.824 -24.129  -5.038
  107   2HH1  ARG  12          2HH1      ARG  12   3.669 -24.760  -3.658
  108   1HH2  ARG  12          1HH2      ARG  12   0.748 -25.625  -1.894
  109   2HH2  ARG  12          2HH2      ARG  12   2.490 -25.618  -1.869
  110    H    ASP  13           H        ASP  13  -2.291 -23.809  -2.541
  111    HA   ASP  13           HA       ASP  13  -3.224 -22.544  -0.160
  112   1HB   ASP  13          2HB       ASP  13  -2.129 -24.494   0.967
  113   2HB   ASP  13          1HB       ASP  13  -3.258 -24.960  -0.298
  114    H    ALA  14           H        ALA  14  -2.210 -20.884   0.727
  115    HA   ALA  14           HA       ALA  14   0.718 -20.747   0.510
  116   1HB   ALA  14          1HB       ALA  14  -0.380 -19.418  -1.275
  117   2HB   ALA  14          2HB       ALA  14   0.623 -18.462  -0.187
  118   3HB   ALA  14          3HB       ALA  14  -1.132 -18.432  -0.020
  119    H    GLU  15           H        GLU  15   1.371 -18.567   1.763
  120    HA   GLU  15           HA       GLU  15   0.910 -19.221   4.506
  121   1HB   GLU  15          2HB       GLU  15   2.283 -16.791   3.341
  122   2HB   GLU  15          1HB       GLU  15   2.489 -17.443   4.961
  123   1HG   GLU  15          2HG       GLU  15   3.809 -19.163   4.254
  124   2HG   GLU  15          1HG       GLU  15   3.117 -19.183   2.630
  125    H    GLY  16           H        GLY  16  -0.423 -18.262   5.950
  126   1HA   GLY  16          2HA       GLY  16  -2.351 -16.337   5.018
  127   2HA   GLY  16          1HA       GLY  16  -2.259 -17.032   6.629
  128    H    GLN  17           H        GLN  17   0.683 -15.806   5.593
  129    HA   GLN  17           HA       GLN  17   1.977 -14.049   6.162
  130   1HB   GLN  17          2HB       GLN  17  -0.496 -12.966   5.259
  131   2HB   GLN  17          1HB       GLN  17   0.054 -11.990   6.611
  132   1HG   GLN  17          2HG       GLN  17   1.880 -12.685   4.343
  133   2HG   GLN  17          1HG       GLN  17   0.773 -11.318   4.251
  134   1HE2  GLN  17          1HE2      GLN  17   0.960 -10.622   7.024
  135   2HE2  GLN  17          2HE2      GLN  17   2.535  -9.946   7.280
  136    H    ASP  18           H        ASP  18   1.938 -12.044   7.920
  137    HA   ASP  18           HA       ASP  18   1.255 -13.338  10.450
  138   1HB   ASP  18          2HB       ASP  18   2.707 -11.663  11.525
  139   2HB   ASP  18          1HB       ASP  18   3.569 -12.593  10.309
  140    H    PHE  19           H        PHE  19   0.562 -11.644  12.189
  141    HA   PHE  19           HA       PHE  19  -2.007 -10.911  11.076
  142   1HB   PHE  19          2HB       PHE  19  -1.081 -11.250  13.929
  143   2HB   PHE  19          1HB       PHE  19  -2.731 -10.863  13.454
  144    HD1  PHE  19           1HD      PHE  19  -0.303 -13.470  13.902
  145    HD2  PHE  19           2HD      PHE  19  -4.017 -12.515  12.051
  146    HE1  PHE  19           1HE      PHE  19  -0.781 -15.869  13.628
  147    HE2  PHE  19           2HE      PHE  19  -4.503 -14.913  11.779
  148    HZ   PHE  19           HZ       PHE  19  -2.883 -16.593  12.567
  149    H    GLN  20           H        GLN  20  -2.883  -9.214  13.101
  150    HA   GLN  20           HA       GLN  20  -2.344  -6.752  11.852
  151   1HB   GLN  20          2HB       GLN  20  -3.682  -7.218  14.524
  152   2HB   GLN  20          1HB       GLN  20  -3.865  -5.813  13.483
  153   1HG   GLN  20          2HG       GLN  20  -4.661  -8.591  12.660
  154   2HG   GLN  20          1HG       GLN  20  -5.759  -7.448  13.433
  155   1HE2  GLN  20          1HE2      GLN  20  -6.483  -5.699  12.313
  156   2HE2  GLN  20          2HE2      GLN  20  -6.305  -5.534  10.599
  157    H    LEU  21           H        LEU  21  -0.322  -5.973  12.008
  158    HA   LEU  21           HA       LEU  21   0.779  -5.587  14.698
  159   1HB   LEU  21          2HB       LEU  21   2.820  -4.814  13.157
  160   2HB   LEU  21          1HB       LEU  21   2.568  -6.468  13.663
  161    HG   LEU  21           HG       LEU  21   1.549  -6.991  11.492
  162   1HD1  LEU  21          1HD1      LEU  21   0.606  -4.823  10.936
  163   2HD1  LEU  21          2HD1      LEU  21   1.670  -5.396   9.651
  164   3HD1  LEU  21          3HD1      LEU  21   2.226  -4.150  10.767
  165   1HD2  LEU  21          1HD2      LEU  21   4.233  -5.638  11.284
  166   2HD2  LEU  21          2HD2      LEU  21   3.574  -6.809  10.144
  167   3HD2  LEU  21          3HD2      LEU  21   3.941  -7.300  11.795
  168    H    TYR  22           H        TYR  22  -0.699  -3.948  12.140
  169    HA   TYR  22           HA       TYR  22  -0.405  -1.406  13.473
  170   1HB   TYR  22          2HB       TYR  22   0.690  -1.869  10.708
  171   2HB   TYR  22          1HB       TYR  22   0.170  -0.277  11.233
  172    HD1  TYR  22           1HD      TYR  22   1.215   0.366  13.656
  173    HD2  TYR  22           2HD      TYR  22   2.929  -2.292  10.816
  174    HE1  TYR  22           1HE      TYR  22   3.440   0.786  14.612
  175    HE2  TYR  22           2HE      TYR  22   5.157  -1.890  11.770
  176    HH   TYR  22           HH       TYR  22   6.282  -0.047  13.064
  177    HA   PRO  23           HA       PRO  23  -3.675  -0.804  10.082
  178   1HB   PRO  23          2HB       PRO  23  -4.225  -2.675   8.245
  179   2HB   PRO  23          1HB       PRO  23  -2.842  -1.587   8.082
  180   1HG   PRO  23          2HG       PRO  23  -2.920  -4.435   8.977
  181   2HG   PRO  23          1HG       PRO  23  -1.737  -3.616   7.944
  182   1HD   PRO  23          2HD       PRO  23  -1.392  -4.136  10.625
  183   2HD   PRO  23          1HD       PRO  23  -0.537  -2.872   9.726
  184    H    GLY  24           H        GLY  24  -5.934  -1.528   9.495
  185   1HA   GLY  24          2HA       GLY  24  -6.931  -3.247  11.667
  186   2HA   GLY  24          1HA       GLY  24  -7.834  -1.942  10.912
  187    H    GLU  25           H        GLU  25  -9.487  -2.744   9.862
  188    HA   GLU  25           HA       GLU  25  -9.812  -5.405   9.129
  189   1HB   GLU  25          2HB       GLU  25 -11.783  -4.575   7.824
  190   2HB   GLU  25          1HB       GLU  25 -11.735  -4.050   9.502
  191   1HG   GLU  25          2HG       GLU  25 -10.815  -1.885   8.758
  192   2HG   GLU  25          1HG       GLU  25 -10.981  -2.420   7.086
  193    H    LEU  26           H        LEU  26  -8.711  -2.664   7.205
  194    HA   LEU  26           HA       LEU  26  -8.775  -4.017   4.714
  195   1HB   LEU  26          2HB       LEU  26  -8.692  -1.547   4.969
  196   2HB   LEU  26          1HB       LEU  26  -7.045  -1.687   5.551
  197    HG   LEU  26           HG       LEU  26  -6.367  -2.619   3.361
  198   1HD1  LEU  26          1HD1      LEU  26  -8.504  -3.602   2.712
  199   2HD1  LEU  26          2HD1      LEU  26  -7.908  -2.502   1.470
  200   3HD1  LEU  26          3HD1      LEU  26  -9.205  -1.994   2.553
  201   1HD2  LEU  26          1HD2      LEU  26  -6.186  -0.212   3.821
  202   2HD2  LEU  26          2HD2      LEU  26  -7.809   0.027   3.172
  203   3HD2  LEU  26          3HD2      LEU  26  -6.512  -0.535   2.119
  204    H    GLY  27           H        GLY  27  -6.441  -3.771   7.296
  205   1HA   GLY  27          2HA       GLY  27  -4.187  -4.744   5.888
  206   2HA   GLY  27          1HA       GLY  27  -4.390  -4.740   7.633
  207    H    LYS  28           H        LYS  28  -6.442  -6.406   8.094
  208    HA   LYS  28           HA       LYS  28  -5.206  -8.923   7.772
  209   1HB   LYS  28          2HB       LYS  28  -7.179  -9.865   8.866
  210   2HB   LYS  28          1HB       LYS  28  -6.591  -8.446   9.715
  211   1HG   LYS  28          2HG       LYS  28  -8.381  -7.111   8.691
  212   2HG   LYS  28          1HG       LYS  28  -8.984  -8.564   7.887
  213   1HD   LYS  28          2HD       LYS  28  -9.300  -9.621  10.088
  214   2HD   LYS  28          1HD       LYS  28  -8.760  -8.135  10.865
  215   1HE   LYS  28          2HE       LYS  28 -11.169  -8.220  10.890
  216   2HE   LYS  28          1HE       LYS  28 -10.638  -6.936   9.811
  217   1HZ   LYS  28          1HZ       LYS  28 -12.441  -8.213   8.846
  218   2HZ   LYS  28          2HZ       LYS  28 -11.535  -9.635   8.965
  219   3HZ   LYS  28          3HZ       LYS  28 -11.031  -8.399   7.931
  220    H    ARG  29           H        ARG  29  -7.655  -7.247   5.931
  221    HA   ARG  29           HA       ARG  29  -8.564  -9.411   4.389
  222   1HB   ARG  29          2HB       ARG  29  -9.690  -7.246   4.293
  223   2HB   ARG  29          1HB       ARG  29  -8.249  -6.501   3.611
  224   1HG   ARG  29          2HG       ARG  29  -8.472  -7.977   1.639
  225   2HG   ARG  29          1HG       ARG  29  -9.978  -8.597   2.313
  226   1HD   ARG  29          2HD       ARG  29 -10.987  -6.409   2.183
  227   2HD   ARG  29          1HD       ARG  29  -9.459  -5.697   1.657
  228    HE   ARG  29           HE       ARG  29 -10.147  -7.752  -0.118
  229   1HH1  ARG  29          1HH1      ARG  29 -11.292  -4.573   0.805
  230   2HH1  ARG  29          2HH1      ARG  29 -11.946  -4.219  -0.763
  231   1HH2  ARG  29          1HH2      ARG  29 -11.016  -7.283  -2.176
  232   2HH2  ARG  29          2HH2      ARG  29 -11.814  -5.763  -2.441
  233    H    ILE  30           H        ILE  30  -5.821  -7.206   3.969
  234    HA   ILE  30           HA       ILE  30  -4.937  -8.274   1.507
  235    HB   ILE  30           HB       ILE  30  -3.275  -6.908   3.630
  236   1HG1  ILE  30          2HG1      ILE  30  -4.718  -5.727   1.247
  237   2HG1  ILE  30          1HG1      ILE  30  -5.223  -5.558   2.924
  238   1HG2  ILE  30          1HG2      ILE  30  -1.944  -8.096   1.956
  239   2HG2  ILE  30          2HG2      ILE  30  -1.764  -6.350   1.802
  240   3HG2  ILE  30          3HG2      ILE  30  -2.788  -7.233   0.672
  241   1HD1  ILE  30          1HD1      ILE  30  -3.154  -4.346   3.410
  242   2HD1  ILE  30          2HD1      ILE  30  -4.104  -3.559   2.150
  243   3HD1  ILE  30          3HD1      ILE  30  -2.675  -4.500   1.719
  244    H    TYR  31           H        TYR  31  -4.118  -9.034   4.865
  245    HA   TYR  31           HA       TYR  31  -1.921 -10.684   4.208
  246   1HB   TYR  31          2HB       TYR  31  -3.547 -10.522   6.746
  247   2HB   TYR  31          1HB       TYR  31  -2.036 -11.411   6.583
  248    HD1  TYR  31           1HD      TYR  31  -0.567  -9.445   4.829
  249    HD2  TYR  31           2HD      TYR  31  -2.907  -8.891   8.337
  250    HE1  TYR  31           1HE      TYR  31   0.697  -7.407   5.338
  251    HE2  TYR  31           2HE      TYR  31  -1.649  -6.843   8.857
  252    HH   TYR  31           HH       TYR  31   0.626  -5.889   8.316
  253    H    ASN  32           H        ASN  32  -5.350 -11.431   4.616
  254    HA   ASN  32           HA       ASN  32  -4.702 -14.266   4.511
  255   1HB   ASN  32          2HB       ASN  32  -6.814 -14.751   5.266
  256   2HB   ASN  32          1HB       ASN  32  -6.556 -13.174   5.984
  257   1HD2  ASN  32          1HD2      ASN  32  -7.101 -11.643   3.574
  258   2HD2  ASN  32          2HD2      ASN  32  -8.795 -11.799   3.280
  259    H    GLU  33           H        GLU  33  -4.953 -11.926   2.279
  260    HA   GLU  33           HA       GLU  33  -5.973 -13.766   0.212
  261   1HB   GLU  33          2HB       GLU  33  -5.591 -10.760   0.135
  262   2HB   GLU  33          1HB       GLU  33  -6.085 -11.731  -1.241
  263   1HG   GLU  33          2HG       GLU  33  -7.657 -11.673   1.309
  264   2HG   GLU  33          1HG       GLU  33  -7.888 -10.481   0.037
  265    H    ILE  34           H        ILE  34  -3.206 -12.112   1.428
  266    HA   ILE  34           HA       ILE  34  -1.683 -12.829  -0.977
  267    HB   ILE  34           HB       ILE  34  -1.470 -10.398   0.779
  268   1HG1  ILE  34          2HG1      ILE  34  -3.083 -10.340  -1.081
  269   2HG1  ILE  34          1HG1      ILE  34  -1.761  -9.205  -1.330
  270   1HG2  ILE  34          1HG2      ILE  34   0.501 -11.303  -1.314
  271   2HG2  ILE  34          2HG2      ILE  34   0.788 -11.254   0.424
  272   3HG2  ILE  34          3HG2      ILE  34   0.527  -9.755  -0.468
  273   1HD1  ILE  34          1HD1      ILE  34  -0.684 -10.883  -2.811
  274   2HD1  ILE  34          2HD1      ILE  34  -2.238 -10.295  -3.403
  275   3HD1  ILE  34          3HD1      ILE  34  -2.127 -11.885  -2.648
  276    H    SER  35           H        SER  35  -0.298 -14.351  -0.652
  277    HA   SER  35           HA       SER  35   0.651 -15.208   1.885
  278   1HB   SER  35          2HB       SER  35   0.409 -16.533  -0.321
  279   2HB   SER  35          1HB       SER  35   1.945 -15.798  -0.774
  280    HG   SER  35           HG       SER  35   2.929 -16.819   0.975
  281    H    LYS  36           H        LYS  36   2.786 -15.014   2.717
  282    HA   LYS  36           HA       LYS  36   4.117 -12.601   2.441
  283   1HB   LYS  36          2HB       LYS  36   5.104 -15.287   3.374
  284   2HB   LYS  36          1HB       LYS  36   6.108 -13.843   3.420
  285   1HG   LYS  36          2HG       LYS  36   4.403 -12.754   4.827
  286   2HG   LYS  36          1HG       LYS  36   3.501 -14.269   4.845
  287   1HD   LYS  36          2HD       LYS  36   5.140 -15.367   6.090
  288   2HD   LYS  36          1HD       LYS  36   6.366 -14.151   5.715
  289   1HE   LYS  36          2HE       LYS  36   3.907 -13.672   7.397
  290   2HE   LYS  36          1HE       LYS  36   5.521 -13.994   8.030
  291   1HZ   LYS  36          1HZ       LYS  36   4.916 -11.598   7.939
  292   2HZ   LYS  36          2HZ       LYS  36   4.871 -11.706   6.248
  293   3HZ   LYS  36          3HZ       LYS  36   6.324 -11.976   7.072
  294    H    ASP  37           H        ASP  37   4.349 -15.498   0.552
  295    HA   ASP  37           HA       ASP  37   6.647 -15.101  -0.917
  296   1HB   ASP  37          2HB       ASP  37   5.179 -17.071  -1.135
  297   2HB   ASP  37          1HB       ASP  37   3.958 -16.076  -1.921
  298    H    ALA  38           H        ALA  38   3.391 -13.939  -1.761
  299    HA   ALA  38           HA       ALA  38   4.385 -12.276  -3.874
  300   1HB   ALA  38          1HB       ALA  38   1.641 -12.405  -2.620
  301   2HB   ALA  38          2HB       ALA  38   2.179 -13.298  -4.042
  302   3HB   ALA  38          3HB       ALA  38   2.056 -11.540  -4.099
  303    H    TRP  39           H        TRP  39   3.413 -11.816  -0.526
  304    HA   TRP  39           HA       TRP  39   3.245  -9.011  -0.523
  305   1HB   TRP  39          2HB       TRP  39   2.439 -10.420   1.334
  306   2HB   TRP  39          1HB       TRP  39   4.097 -10.854   1.721
  307    HD1  TRP  39           HD       TRP  39   5.252  -9.400   3.492
  308    HE1  TRP  39           1HE      TRP  39   4.760  -7.136   4.617
  309    HE3  TRP  39           3HE      TRP  39   1.225  -7.962   0.685
  310    HZ2  TRP  39           2HZ      TRP  39   2.920  -5.017   4.335
  311    HZ3  TRP  39           3HZ      TRP  39   0.162  -5.799   1.176
  312    HH2  TRP  39           HH       TRP  39   0.990  -4.361   2.961
  313    H    ALA  40           H        ALA  40   5.977 -11.169   0.196
  314    HA   ALA  40           HA       ALA  40   7.847  -9.141   0.743
  315   1HB   ALA  40          1HB       ALA  40   9.543 -10.854   0.440
  316   2HB   ALA  40          2HB       ALA  40   8.359 -11.907  -0.338
  317   3HB   ALA  40          3HB       ALA  40   8.181 -11.486   1.365
  318    H    GLN  41           H        GLN  41   7.120 -10.913  -2.252
  319    HA   GLN  41           HA       GLN  41   9.043  -9.701  -3.879
  320   1HB   GLN  41          2HB       GLN  41   6.311 -10.766  -4.601
  321   2HB   GLN  41          1HB       GLN  41   7.535 -10.309  -5.776
  322   1HG   GLN  41          2HG       GLN  41   9.024 -12.024  -4.908
  323   2HG   GLN  41          1HG       GLN  41   7.816 -12.471  -3.705
  324   1HE2  GLN  41          1HE2      GLN  41   9.012 -14.093  -5.773
  325   2HE2  GLN  41          2HE2      GLN  41   7.714 -14.669  -6.758
  326    H    TRP  42           H        TRP  42   5.651  -8.778  -3.292
  327    HA   TRP  42           HA       TRP  42   5.711  -6.586  -5.065
  328   1HB   TRP  42          2HB       TRP  42   3.596  -7.574  -4.356
  329   2HB   TRP  42          1HB       TRP  42   3.893  -7.056  -2.699
  330    HD1  TRP  42           HD       TRP  42   2.308  -5.106  -2.196
  331    HE1  TRP  42           1HE      TRP  42   1.579  -2.963  -3.408
  332    HE3  TRP  42           3HE      TRP  42   4.763  -5.802  -6.630
  333    HZ2  TRP  42           2HZ      TRP  42   1.994  -1.726  -5.912
  334    HZ3  TRP  42           3HZ      TRP  42   4.547  -4.092  -8.379
  335    HH2  TRP  42           HH       TRP  42   3.191  -2.098  -8.031
  336    H    GLN  43           H        GLN  43   6.152  -6.744  -1.530
  337    HA   GLN  43           HA       GLN  43   6.474  -3.969  -1.185
  338   1HB   GLN  43          2HB       GLN  43   7.361  -6.345   0.429
  339   2HB   GLN  43          1HB       GLN  43   7.765  -4.704   0.917
  340   1HG   GLN  43          2HG       GLN  43   4.968  -5.694   0.433
  341   2HG   GLN  43          1HG       GLN  43   5.744  -5.617   2.015
  342   1HE2  GLN  43          1HE2      GLN  43   3.360  -4.256   1.022
  343   2HE2  GLN  43          2HE2      GLN  43   3.658  -2.567   1.223
  344    H    HIS  44           H        HIS  44   8.808  -6.526  -1.900
  345    HA   HIS  44           HA       HIS  44  11.123  -4.909  -1.695
  346   1HB   HIS  44          2HB       HIS  44  10.953  -7.474  -1.792
  347   2HB   HIS  44          1HB       HIS  44  10.836  -7.278  -3.537
  348    HD1  HIS  44           1HD      HIS  44  13.231  -7.326  -0.745
  349    HD2  HIS  44           2HD      HIS  44  13.224  -6.235  -4.757
  350    HE1  HIS  44           1HE      HIS  44  15.654  -7.104  -1.391
  351    HE2  HIS  44           2HE      HIS  44  15.619  -6.620  -3.861
  352    H    LYS  45           H        LYS  45   9.000  -5.774  -4.358
  353    HA   LYS  45           HA       LYS  45  10.473  -4.526  -6.422
  354   1HB   LYS  45          2HB       LYS  45   8.700  -6.301  -6.657
  355   2HB   LYS  45          1HB       LYS  45   7.503  -5.060  -6.326
  356   1HG   LYS  45          2HG       LYS  45   7.664  -5.478  -8.696
  357   2HG   LYS  45          1HG       LYS  45   8.220  -3.845  -8.322
  358   1HD   LYS  45          2HD       LYS  45  10.449  -4.383  -8.706
  359   2HD   LYS  45          1HD       LYS  45  10.165  -6.112  -8.501
  360   1HE   LYS  45          2HE       LYS  45  10.544  -5.614 -10.833
  361   2HE   LYS  45          1HE       LYS  45   8.876  -6.128 -10.600
  362   1HZ   LYS  45          1HZ       LYS  45   8.227  -3.777 -10.608
  363   2HZ   LYS  45          2HZ       LYS  45   8.955  -4.245 -12.059
  364   3HZ   LYS  45          3HZ       LYS  45   9.830  -3.338 -10.933
  365    H    GLN  46           H        GLN  46   7.579  -3.535  -4.636
  366    HA   GLN  46           HA       GLN  46   7.203  -1.076  -5.908
  367   1HB   GLN  46          2HB       GLN  46   5.495  -2.238  -4.555
  368   2HB   GLN  46          1HB       GLN  46   6.413  -1.867  -3.103
  369   1HG   GLN  46          2HG       GLN  46   4.539  -0.353  -3.375
  370   2HG   GLN  46          1HG       GLN  46   6.071   0.511  -3.474
  371   1HE2  GLN  46          1HE2      GLN  46   5.053   2.210  -4.565
  372   2HE2  GLN  46          2HE2      GLN  46   4.562   2.089  -6.223
  373    H    THR  47           H        THR  47   9.013  -1.907  -2.967
  374    HA   THR  47           HA       THR  47   9.684   0.743  -2.277
  375    HB   THR  47           HB       THR  47  11.226  -1.797  -1.694
  376    HG1  THR  47           1HG      THR  47   9.329  -2.072  -0.685
  377   1HG2  THR  47          1HG2      THR  47  12.590   0.208  -1.328
  378   2HG2  THR  47          2HG2      THR  47  12.155  -0.550   0.203
  379   3HG2  THR  47          3HG2      THR  47  11.311   0.901  -0.331
  380    H    MET  48           H        MET  48  11.140  -1.576  -4.486
  381    HA   MET  48           HA       MET  48  13.461  -0.041  -5.054
  382   1HB   MET  48          2HB       MET  48  13.201  -2.478  -5.571
  383   2HB   MET  48          1HB       MET  48  12.084  -2.041  -6.856
  384   1HG   MET  48          2HG       MET  48  14.291  -2.477  -7.745
  385   2HG   MET  48          1HG       MET  48  13.846  -0.786  -7.973
  386   1HE   MET  48          1HE       MET  48  16.805  -1.907  -8.259
  387   2HE   MET  48          2HE       MET  48  17.728  -0.658  -7.426
  388   3HE   MET  48          3HE       MET  48  16.396  -0.206  -8.492
  389    H    LEU  49           H        LEU  49  10.259  -0.304  -6.535
  390    HA   LEU  49           HA       LEU  49  10.614   1.555  -8.606
  391   1HB   LEU  49          2HB       LEU  49   8.282   0.440  -7.143
  392   2HB   LEU  49          1HB       LEU  49   8.016   1.917  -8.048
  393    HG   LEU  49           HG       LEU  49   8.760   0.795 -10.103
  394   1HD1  LEU  49          1HD1      LEU  49  10.304  -0.815  -9.124
  395   2HD1  LEU  49          2HD1      LEU  49   9.104  -1.611 -10.143
  396   3HD1  LEU  49          3HD1      LEU  49   8.948  -1.672  -8.388
  397   1HD2  LEU  49          1HD2      LEU  49   6.609  -0.697  -8.613
  398   2HD2  LEU  49          2HD2      LEU  49   6.834  -0.680 -10.363
  399   3HD2  LEU  49          3HD2      LEU  49   6.398   0.804  -9.515
  400    H    ILE  50           H        ILE  50   9.752   1.956  -5.221
  401    HA   ILE  50           HA       ILE  50   9.222   4.717  -5.253
  402    HB   ILE  50           HB       ILE  50  10.225   2.921  -3.040
  403   1HG1  ILE  50          2HG1      ILE  50   7.510   4.150  -3.558
  404   2HG1  ILE  50          1HG1      ILE  50   7.947   2.487  -3.931
  405   1HG2  ILE  50          1HG2      ILE  50   9.368   5.803  -2.889
  406   2HG2  ILE  50          2HG2      ILE  50  10.945   5.135  -2.475
  407   3HG2  ILE  50          3HG2      ILE  50   9.536   4.744  -1.491
  408   1HD1  ILE  50          1HD1      ILE  50   8.339   2.084  -1.543
  409   2HD1  ILE  50          2HD1      ILE  50   6.685   2.586  -1.882
  410   3HD1  ILE  50          3HD1      ILE  50   7.835   3.737  -1.197
  411    H    ASN  51           H        ASN  51  12.216   2.911  -5.159
  412    HA   ASN  51           HA       ASN  51  13.851   5.194  -4.563
  413   1HB   ASN  51          2HB       ASN  51  14.528   2.446  -5.619
  414   2HB   ASN  51          1HB       ASN  51  15.734   3.676  -5.256
  415   1HD2  ASN  51          1HD2      ASN  51  15.361   1.050  -4.080
  416   2HD2  ASN  51          2HD2      ASN  51  15.129   1.306  -2.385
  417    H    GLU  52           H        GLU  52  12.803   3.516  -7.476
  418    HA   GLU  52           HA       GLU  52  14.482   4.969  -9.265
  419   1HB   GLU  52          2HB       GLU  52  11.921   3.451  -9.777
  420   2HB   GLU  52          1HB       GLU  52  12.988   4.068 -11.029
  421   1HG   GLU  52          2HG       GLU  52  14.788   2.623 -10.147
  422   2HG   GLU  52          1HG       GLU  52  13.640   1.952  -8.989
  423    H    LYS  53           H        LYS  53  11.029   5.193  -8.458
  424    HA   LYS  53           HA       LYS  53  10.593   7.560 -10.004
  425   1HB   LYS  53          2HB       LYS  53   8.944   6.438  -7.730
  426   2HB   LYS  53          1HB       LYS  53   8.409   7.625  -8.907
  427   1HG   LYS  53          2HG       LYS  53   8.501   5.973 -10.668
  428   2HG   LYS  53          1HG       LYS  53   9.165   4.777  -9.549
  429   1HD   LYS  53          2HD       LYS  53   7.105   4.975  -8.181
  430   2HD   LYS  53          1HD       LYS  53   6.440   6.075  -9.390
  431   1HE   LYS  53          2HE       LYS  53   6.569   4.300 -11.071
  432   2HE   LYS  53          1HE       LYS  53   7.247   3.206  -9.866
  433   1HZ   LYS  53          1HZ       LYS  53   4.876   2.839 -10.158
  434   2HZ   LYS  53          2HZ       LYS  53   4.551   4.446  -9.750
  435   3HZ   LYS  53          3HZ       LYS  53   5.193   3.395  -8.595
  436    H    LYS  54           H        LYS  54  11.898   6.907  -6.930
  437    HA   LYS  54           HA       LYS  54  12.258   8.023  -5.009
  438   1HB   LYS  54          2HB       LYS  54  12.439  10.370  -6.899
  439   2HB   LYS  54          1HB       LYS  54  12.893  10.433  -5.201
  440   1HG   LYS  54          2HG       LYS  54  14.418   8.410  -5.836
  441   2HG   LYS  54          1HG       LYS  54  14.228   9.039  -7.473
  442   1HD   LYS  54          2HD       LYS  54  15.253  10.575  -5.089
  443   2HD   LYS  54          1HD       LYS  54  16.235   9.928  -6.400
  444   1HE   LYS  54          2HE       LYS  54  15.129  11.387  -7.989
  445   2HE   LYS  54          1HE       LYS  54  14.055  11.985  -6.725
  446   1HZ   LYS  54          1HZ       LYS  54  16.003  12.878  -5.575
  447   2HZ   LYS  54          2HZ       LYS  54  15.839  13.536  -7.120
  448   3HZ   LYS  54          3HZ       LYS  54  17.002  12.345  -6.833
  449    H    LEU  55           H        LEU  55  10.032   7.396  -4.550
  450    HA   LEU  55           HA       LEU  55   8.058   9.528  -4.660
  451   1HB   LEU  55          2HB       LEU  55   7.818   6.722  -3.563
  452   2HB   LEU  55          1HB       LEU  55   6.501   7.859  -3.748
  453    HG   LEU  55           HG       LEU  55   8.089   6.576  -5.968
  454   1HD1  LEU  55          1HD1      LEU  55   6.503   5.065  -4.952
  455   2HD1  LEU  55          2HD1      LEU  55   5.919   5.561  -6.538
  456   3HD1  LEU  55          3HD1      LEU  55   5.225   6.271  -5.081
  457   1HD2  LEU  55          1HD2      LEU  55   6.554   7.715  -7.489
  458   2HD2  LEU  55          2HD2      LEU  55   7.502   8.868  -6.552
  459   3HD2  LEU  55          3HD2      LEU  55   5.819   8.553  -6.125
  460    H    ASN  56           H        ASN  56   8.527  11.053  -3.209
  461    HA   ASN  56           HA       ASN  56   9.172  10.337  -0.469
  462   1HB   ASN  56          2HB       ASN  56  10.210  12.310  -1.681
  463   2HB   ASN  56          1HB       ASN  56   8.638  13.099  -1.588
  464   1HD2  ASN  56          1HD2      ASN  56  11.184  13.893  -0.445
  465   2HD2  ASN  56          2HD2      ASN  56  10.934  14.012   1.263
  466    H    MET  57           H        MET  57   7.679  10.039   1.037
  467    HA   MET  57           HA       MET  57   4.899  10.288   0.351
  468   1HB   MET  57          2HB       MET  57   6.258   9.322   2.868
  469   2HB   MET  57          1HB       MET  57   4.521   9.264   2.594
  470   1HG   MET  57          2HG       MET  57   6.630   7.843   0.986
  471   2HG   MET  57          1HG       MET  57   5.540   7.109   2.162
  472   1HE   MET  57          1HE       MET  57   4.230   5.690  -1.251
  473   2HE   MET  57          2HE       MET  57   4.833   5.292   0.359
  474   3HE   MET  57          3HE       MET  57   5.908   6.029  -0.830
  475    H    MET  58           H        MET  58   6.731  12.686   0.965
  476    HA   MET  58           HA       MET  58   5.461  14.010   3.149
  477   1HB   MET  58          2HB       MET  58   6.605  16.002   2.389
  478   2HB   MET  58          1HB       MET  58   7.712  14.639   2.281
  479   1HG   MET  58          2HG       MET  58   7.234  14.478  -0.128
  480   2HG   MET  58          1HG       MET  58   6.194  15.893   0.002
  481   1HE   MET  58          1HE       MET  58   8.595  15.700  -2.095
  482   2HE   MET  58          2HE       MET  58   9.222  17.341  -1.937
  483   3HE   MET  58          3HE       MET  58   7.483  17.058  -1.914
  484    H    ASN  59           H        ASN  59   4.733  13.475  -0.164
  485    HA   ASN  59           HA       ASN  59   2.397  15.250   0.041
  486   1HB   ASN  59          2HB       ASN  59   4.092  14.511  -2.334
  487   2HB   ASN  59          1HB       ASN  59   2.432  15.047  -2.548
  488   1HD2  ASN  59          1HD2      ASN  59   2.909  16.919  -3.586
  489   2HD2  ASN  59          2HD2      ASN  59   3.701  18.257  -2.816
  490    H    ALA  60           H        ALA  60   0.421  14.431  -0.374
  491    HA   ALA  60           HA       ALA  60   0.035  11.660   0.015
  492   1HB   ALA  60          1HB       ALA  60  -1.565  13.355   0.768
  493   2HB   ALA  60          2HB       ALA  60  -2.332  12.138  -0.252
  494   3HB   ALA  60          3HB       ALA  60  -1.950  13.729  -0.912
  495    H    GLU  61           H        GLU  61   0.361  13.618  -2.806
  496    HA   GLU  61           HA       GLU  61  -0.863  12.289  -4.841
  497   1HB   GLU  61          2HB       GLU  61   1.998  13.263  -4.896
  498   2HB   GLU  61          1HB       GLU  61   0.970  12.997  -6.295
  499   1HG   GLU  61          2HG       GLU  61  -0.437  14.816  -5.700
  500   2HG   GLU  61          1HG       GLU  61   0.368  14.997  -4.139
  501    H    HIS  62           H        HIS  62   2.303  11.475  -3.472
  502    HA   HIS  62           HA       HIS  62   2.580   9.230  -5.266
  503   1HB   HIS  62          2HB       HIS  62   4.421  10.044  -3.015
  504   2HB   HIS  62          1HB       HIS  62   4.804   8.977  -4.358
  505    HD1  HIS  62           1HD      HIS  62   4.921  10.185  -6.787
  506    HD2  HIS  62           2HD      HIS  62   4.887  12.689  -3.463
  507    HE1  HIS  62           1HE      HIS  62   5.711  12.423  -7.610
  508    HE2  HIS  62           2HE      HIS  62   5.598  13.944  -5.609
  509    H    ARG  63           H        ARG  63   1.455   9.812  -2.094
  510    HA   ARG  63           HA       ARG  63   1.868   7.145  -1.126
  511   1HB   ARG  63          2HB       ARG  63   1.655   9.179   0.354
  512   2HB   ARG  63          1HB       ARG  63  -0.057   9.217  -0.049
  513   1HG   ARG  63          2HG       ARG  63   0.758   6.596   0.857
  514   2HG   ARG  63          1HG       ARG  63   1.141   7.844   2.042
  515   1HD   ARG  63          2HD       ARG  63  -1.559   7.527   0.745
  516   2HD   ARG  63          1HD       ARG  63  -1.122   6.800   2.289
  517    HE   ARG  63           HE       ARG  63  -0.627   9.609   2.261
  518   1HH1  ARG  63          1HH1      ARG  63  -3.152   7.212   2.614
  519   2HH1  ARG  63          2HH1      ARG  63  -4.168   8.236   3.576
  520   1HH2  ARG  63          1HH2      ARG  63  -1.953  10.962   3.533
  521   2HH2  ARG  63          2HH2      ARG  63  -3.481  10.377   4.108
  522    H    LYS  64           H        LYS  64  -0.691   8.900  -2.777
  523    HA   LYS  64           HA       LYS  64  -2.566   6.734  -2.583
  524   1HB   LYS  64          2HB       LYS  64  -2.556   9.109  -4.454
  525   2HB   LYS  64          1HB       LYS  64  -3.897   7.995  -4.220
  526   1HG   LYS  64          2HG       LYS  64  -3.819   8.674  -1.768
  527   2HG   LYS  64          1HG       LYS  64  -2.773   9.996  -2.294
  528   1HD   LYS  64          2HD       LYS  64  -4.854  10.995  -2.347
  529   2HD   LYS  64          1HD       LYS  64  -4.673  10.457  -4.016
  530   1HE   LYS  64          2HE       LYS  64  -6.147   8.935  -1.867
  531   2HE   LYS  64          1HE       LYS  64  -6.916   9.991  -3.044
  532   1HZ   LYS  64          1HZ       LYS  64  -5.899   8.507  -4.785
  533   2HZ   LYS  64          2HZ       LYS  64  -7.131   7.822  -3.859
  534   3HZ   LYS  64          3HZ       LYS  64  -5.523   7.422  -3.538
  535    H    LEU  65           H        LEU  65  -0.056   7.717  -4.809
  536    HA   LEU  65           HA       LEU  65  -0.567   5.922  -6.890
  537   1HB   LEU  65          2HB       LEU  65   1.934   7.102  -5.743
  538   2HB   LEU  65          1HB       LEU  65   2.057   5.841  -6.953
  539    HG   LEU  65           HG       LEU  65   0.622   8.469  -7.348
  540   1HD1  LEU  65          1HD1      LEU  65   3.043   8.763  -7.133
  541   2HD1  LEU  65          2HD1      LEU  65   2.506   9.043  -8.786
  542   3HD1  LEU  65          3HD1      LEU  65   3.304   7.529  -8.364
  543   1HD2  LEU  65          1HD2      LEU  65   0.639   7.778  -9.723
  544   2HD2  LEU  65          2HD2      LEU  65  -0.329   6.714  -8.704
  545   3HD2  LEU  65          3HD2      LEU  65   1.276   6.209  -9.233
  546    H    LEU  66           H        LEU  66   1.216   5.495  -3.868
  547    HA   LEU  66           HA       LEU  66   1.903   2.812  -4.136
  548   1HB   LEU  66          2HB       LEU  66   2.764   4.243  -2.349
  549   2HB   LEU  66          1HB       LEU  66   1.166   4.341  -1.636
  550    HG   LEU  66           HG       LEU  66   1.262   1.858  -1.278
  551   1HD1  LEU  66          1HD1      LEU  66   4.136   2.259  -2.081
  552   2HD1  LEU  66          2HD1      LEU  66   2.933   1.272  -2.913
  553   3HD1  LEU  66          3HD1      LEU  66   3.491   0.813  -1.304
  554   1HD2  LEU  66          1HD2      LEU  66   1.689   3.426   0.532
  555   2HD2  LEU  66          2HD2      LEU  66   3.384   3.534   0.056
  556   3HD2  LEU  66          3HD2      LEU  66   2.736   2.016   0.674
  557    H    GLU  67           H        GLU  67  -1.029   4.296  -2.830
  558    HA   GLU  67           HA       GLU  67  -2.418   2.020  -2.057
  559   1HB   GLU  67          2HB       GLU  67  -3.261   4.183  -1.477
  560   2HB   GLU  67          1HB       GLU  67  -3.375   4.664  -3.165
  561   1HG   GLU  67          2HG       GLU  67  -5.143   2.963  -3.482
  562   2HG   GLU  67          1HG       GLU  67  -5.067   2.613  -1.756
  563    H    GLN  68           H        GLN  68  -2.549   3.692  -5.195
  564    HA   GLN  68           HA       GLN  68  -4.351   1.952  -6.444
  565   1HB   GLN  68          2HB       GLN  68  -2.178   3.690  -7.624
  566   2HB   GLN  68          1HB       GLN  68  -3.419   2.876  -8.570
  567   1HG   GLN  68          2HG       GLN  68  -5.146   4.155  -7.518
  568   2HG   GLN  68          1HG       GLN  68  -3.990   4.871  -6.394
  569   1HE2  GLN  68          1HE2      GLN  68  -3.285   4.344  -9.767
  570   2HE2  GLN  68          2HE2      GLN  68  -3.275   6.008 -10.225
  571    H    GLU  69           H        GLU  69  -0.781   1.950  -6.487
  572    HA   GLU  69           HA       GLU  69  -0.577  -0.296  -8.201
  573   1HB   GLU  69          2HB       GLU  69   1.475   0.703  -6.210
  574   2HB   GLU  69          1HB       GLU  69   1.782  -0.343  -7.590
  575   1HG   GLU  69          2HG       GLU  69   0.939   1.533  -9.048
  576   2HG   GLU  69          1HG       GLU  69   0.969   2.552  -7.611
  577    H    MET  70           H        MET  70  -0.634   0.066  -4.703
  578    HA   MET  70           HA       MET  70  -0.032  -2.540  -3.913
  579   1HB   MET  70          2HB       MET  70  -0.263  -0.536  -2.420
  580   2HB   MET  70          1HB       MET  70  -2.006  -0.675  -2.586
  581   1HG   MET  70          2HG       MET  70  -1.457  -1.669  -0.534
  582   2HG   MET  70          1HG       MET  70  -1.796  -2.997  -1.643
  583   1HE   MET  70          1HE       MET  70   1.424  -0.727  -1.339
  584   2HE   MET  70          2HE       MET  70   2.431  -1.725  -0.291
  585   3HE   MET  70          3HE       MET  70   0.941  -1.016   0.332
  586    H    VAL  71           H        VAL  71  -3.254  -1.074  -4.337
  587    HA   VAL  71           HA       VAL  71  -4.702  -3.450  -3.902
  588    HB   VAL  71           HB       VAL  71  -5.552  -1.022  -5.498
  589   1HG1  VAL  71          1HG1      VAL  71  -6.984  -2.940  -5.925
  590   2HG1  VAL  71          2HG1      VAL  71  -7.838  -1.732  -4.965
  591   3HG1  VAL  71          3HG1      VAL  71  -7.200  -3.184  -4.191
  592   1HG2  VAL  71          1HG2      VAL  71  -4.871  -0.409  -3.247
  593   2HG2  VAL  71          2HG2      VAL  71  -5.925  -1.655  -2.573
  594   3HG2  VAL  71          3HG2      VAL  71  -6.622  -0.276  -3.424
  595    H    SER  72           H        SER  72  -3.217  -2.075  -6.742
  596    HA   SER  72           HA       SER  72  -4.556  -3.618  -8.678
  597   1HB   SER  72          2HB       SER  72  -3.258  -1.580  -9.207
  598   2HB   SER  72          1HB       SER  72  -1.771  -2.438  -8.804
  599    HG   SER  72           HG       SER  72  -3.254  -3.858 -10.578
  600    H    PHE  73           H        PHE  73  -1.206  -4.026  -7.459
  601    HA   PHE  73           HA       PHE  73  -0.849  -6.442  -8.874
  602   1HB   PHE  73          2HB       PHE  73   0.972  -4.900  -8.114
  603   2HB   PHE  73          1HB       PHE  73   0.723  -5.495  -6.477
  604    HD1  PHE  73           1HD      PHE  73   1.849  -6.398  -9.857
  605    HD2  PHE  73           2HD      PHE  73   1.571  -7.621  -5.792
  606    HE1  PHE  73           1HE      PHE  73   3.415  -8.241 -10.308
  607    HE2  PHE  73           2HE      PHE  73   3.142  -9.463  -6.234
  608    HZ   PHE  73           HZ       PHE  73   4.065  -9.772  -8.496
  609    H    LEU  74           H        LEU  74  -1.903  -5.780  -5.582
  610    HA   LEU  74           HA       LEU  74  -1.565  -8.547  -4.810
  611   1HB   LEU  74          2HB       LEU  74  -2.651  -6.174  -3.308
  612   2HB   LEU  74          1HB       LEU  74  -2.441  -7.772  -2.617
  613    HG   LEU  74           HG       LEU  74  -0.252  -5.949  -3.621
  614   1HD1  LEU  74          1HD1      LEU  74  -0.947  -6.926  -0.857
  615   2HD1  LEU  74          2HD1      LEU  74  -1.190  -5.292  -1.475
  616   3HD1  LEU  74          3HD1      LEU  74   0.444  -5.926  -1.281
  617   1HD2  LEU  74          1HD2      LEU  74   0.353  -8.234  -4.120
  618   2HD2  LEU  74          2HD2      LEU  74  -0.085  -8.739  -2.490
  619   3HD2  LEU  74          3HD2      LEU  74   1.291  -7.666  -2.738
  620    H    PHE  75           H        PHE  75  -4.253  -6.430  -5.678
  621    HA   PHE  75           HA       PHE  75  -6.081  -8.684  -5.125
  622   1HB   PHE  75          2HB       PHE  75  -6.610  -5.714  -4.973
  623   2HB   PHE  75          1HB       PHE  75  -7.868  -6.938  -4.876
  624    HD1  PHE  75           1HD      PHE  75  -8.103  -8.322  -2.917
  625    HD2  PHE  75           2HD      PHE  75  -5.075  -5.350  -3.153
  626    HE1  PHE  75           1HE      PHE  75  -7.780  -8.466  -0.483
  627    HE2  PHE  75           2HE      PHE  75  -4.737  -5.487  -0.723
  628    HZ   PHE  75           HZ       PHE  75  -6.097  -7.046   0.615
  629    H    GLU  76           H        GLU  76  -5.396  -5.986  -7.302
  630    HA   GLU  76           HA       GLU  76  -6.125  -5.414  -9.357
  631   1HB   GLU  76          2HB       GLU  76  -6.233  -8.376  -9.438
  632   2HB   GLU  76          1HB       GLU  76  -7.091  -7.512 -10.710
  633   1HG   GLU  76          2HG       GLU  76  -4.186  -7.158 -10.009
  634   2HG   GLU  76          1HG       GLU  76  -4.813  -8.095 -11.365
  635    H    GLY  77           H        GLY  77  -7.994  -5.672  -6.992
  636   1HA   GLY  77          2HA       GLY  77 -10.562  -6.030  -8.327
  637   2HA   GLY  77          1HA       GLY  77 -10.308  -5.800  -6.603
  638    H    LYS  78           H        LYS  78  -8.980  -3.817  -9.177
  639    HA   LYS  78           HA       LYS  78 -10.771  -1.648  -8.349
  640   1HB   LYS  78          2HB       LYS  78  -8.844  -0.085  -8.862
  641   2HB   LYS  78          1HB       LYS  78  -8.693  -1.043  -7.403
  642   1HG   LYS  78          2HG       LYS  78  -6.570  -1.047  -8.421
  643   2HG   LYS  78          1HG       LYS  78  -7.258  -2.638  -8.737
  644   1HD   LYS  78          2HD       LYS  78  -7.871  -1.945 -10.987
  645   2HD   LYS  78          1HD       LYS  78  -7.266  -0.320 -10.667
  646   1HE   LYS  78          2HE       LYS  78  -5.014  -1.221 -10.356
  647   2HE   LYS  78          1HE       LYS  78  -5.619  -2.847 -10.673
  648   1HZ   LYS  78          1HZ       LYS  78  -5.805  -0.609 -12.609
  649   2HZ   LYS  78          2HZ       LYS  78  -6.148  -2.242 -12.897
  650   3HZ   LYS  78          3HZ       LYS  78  -4.557  -1.748 -12.608
  651    H    ASP  79           H        ASP  79 -11.126   0.003 -10.019
  652    HA   ASP  79           HA       ASP  79 -10.769  -1.102 -12.725
  653   1HB   ASP  79          2HB       ASP  79 -12.746  -0.025 -13.422
  654   2HB   ASP  79          1HB       ASP  79 -13.143  -0.647 -11.825
  655    H    VAL  80           H        VAL  80  -9.332   0.898 -10.701
  656    HA   VAL  80           HA       VAL  80  -9.004   3.247 -12.316
  657    HB   VAL  80           HB       VAL  80  -7.386   2.358  -9.916
  658   1HG1  VAL  80          1HG1      VAL  80  -7.709   5.067 -11.202
  659   2HG1  VAL  80          2HG1      VAL  80  -6.268   4.054 -11.247
  660   3HG1  VAL  80          3HG1      VAL  80  -6.816   4.737  -9.717
  661   1HG2  VAL  80          1HG2      VAL  80  -9.820   4.142 -10.038
  662   2HG2  VAL  80          2HG2      VAL  80  -8.832   3.846  -8.606
  663   3HG2  VAL  80          3HG2      VAL  80  -9.746   2.526  -9.337
  664    H    HIS  81           H        HIS  81  -7.865   3.165 -14.132
  665    HA   HIS  81           HA       HIS  81  -5.688   1.296 -14.457
  666   1HB   HIS  81          2HB       HIS  81  -6.839   3.411 -16.285
  667   2HB   HIS  81          1HB       HIS  81  -5.461   2.403 -16.719
  668    HD1  HIS  81           1HD      HIS  81  -9.061   2.504 -16.934
  669    HD2  HIS  81           2HD      HIS  81  -6.184  -0.482 -16.608
  670    HE1  HIS  81           1HE      HIS  81 -10.193   0.386 -17.669
  671    HE2  HIS  81           2HE      HIS  81  -8.499  -1.427 -17.263
  672    H    ILE  82           H        ILE  82  -3.693   1.689 -13.831
  673    HA   ILE  82           HA       ILE  82  -3.031   4.260 -12.742
  674    HB   ILE  82           HB       ILE  82  -1.225   1.858 -13.057
  675   1HG1  ILE  82          2HG1      ILE  82  -3.008   2.647 -10.740
  676   2HG1  ILE  82          1HG1      ILE  82  -3.280   1.286 -11.822
  677   1HG2  ILE  82          1HG2      ILE  82   0.014   3.865 -12.585
  678   2HG2  ILE  82          2HG2      ILE  82  -0.050   2.882 -11.122
  679   3HG2  ILE  82          3HG2      ILE  82  -1.097   4.291 -11.283
  680   1HD1  ILE  82          1HD1      ILE  82  -2.348   0.551  -9.713
  681   2HD1  ILE  82          2HD1      ILE  82  -0.957   1.610  -9.939
  682   3HD1  ILE  82          3HD1      ILE  82  -1.214   0.248 -11.028
  683    H    GLU  83           H        GLU  83  -2.510   5.865 -14.014
  684    HA   GLU  83           HA       GLU  83  -1.722   7.126 -15.691
  685   1HB   GLU  83          2HB       GLU  83   0.664   7.017 -16.117
  686   2HB   GLU  83          1HB       GLU  83   0.321   6.833 -14.410
  687   1HG   GLU  83          2HG       GLU  83   1.914   5.245 -14.633
  688   2HG   GLU  83          1HG       GLU  83   0.505   4.265 -15.025
  689    H    GLY  84           H        GLY  84  -3.102   4.593 -16.464
  690   1HA   GLY  84          2HA       GLY  84  -2.010   4.228 -19.161
  691   2HA   GLY  84          1HA       GLY  84  -3.223   3.209 -18.396
  692    H    TYR  85           H        TYR  85  -3.011   4.947 -20.946
  693    HA   TYR  85           HA       TYR  85  -4.922   7.015 -20.681
  694   1HB   TYR  85          2HB       TYR  85  -4.022   5.528 -23.153
  695   2HB   TYR  85          1HB       TYR  85  -4.952   7.024 -23.153
  696    HD1  TYR  85           1HD      TYR  85  -1.761   5.716 -23.512
  697    HD2  TYR  85           2HD      TYR  85  -3.801   8.942 -21.635
  698    HE1  TYR  85           1HE      TYR  85   0.336   6.998 -23.446
  699    HE2  TYR  85           2HE      TYR  85  -1.711  10.233 -21.567
  700    HH   TYR  85           HH       TYR  85   0.818   9.628 -21.544
  701    H    THR  86           H        THR  86  -7.043   6.894 -20.480
  702    HA   THR  86           HA       THR  86  -8.378   4.349 -20.900
  703    HB   THR  86           HB       THR  86 -10.358   5.545 -19.895
  704    HG1  THR  86           1HG      THR  86  -9.244   7.694 -20.521
  705   1HG2  THR  86          1HG2      THR  86  -9.466   5.557 -17.631
  706   2HG2  THR  86          2HG2      THR  86  -7.819   5.626 -18.258
  707   3HG2  THR  86          3HG2      THR  86  -8.808   4.191 -18.536
  708    HA   PRO  87           HA       PRO  87 -10.000   5.522 -24.889
  709   1HB   PRO  87          2HB       PRO  87 -12.078   3.752 -24.984
  710   2HB   PRO  87          1HB       PRO  87 -10.398   3.293 -25.287
  711   1HG   PRO  87          2HG       PRO  87 -12.021   2.998 -22.791
  712   2HG   PRO  87          1HG       PRO  87 -10.903   1.845 -23.540
  713   1HD   PRO  87          2HD       PRO  87 -10.198   3.353 -21.419
  714   2HD   PRO  87          1HD       PRO  87  -9.037   2.905 -22.687
  715    H    GLU  88           H        GLU  88 -10.822   7.562 -24.619
  716    HA   GLU  88           HA       GLU  88 -13.407   7.824 -23.255
  717   1HB   GLU  88          2HB       GLU  88 -11.314   9.902 -23.910
  718   2HB   GLU  88          1HB       GLU  88 -12.867  10.256 -23.163
  719   1HG   GLU  88          2HG       GLU  88 -12.282   8.892 -21.248
  720   2HG   GLU  88          1HG       GLU  88 -10.743   8.471 -22.000
  721    H    ASP  89           H        ASP  89 -11.799   9.603 -25.904
  722    HA   ASP  89           HA       ASP  89 -14.351  10.227 -27.060
  723   1HB   ASP  89          2HB       ASP  89 -12.300  11.727 -27.122
  724   2HB   ASP  89          1HB       ASP  89 -11.652  10.645 -28.347
  725    H    LYS  90           H        LYS  90 -11.691   8.046 -27.785
  726    HA   LYS  90           HA       LYS  90 -13.118   6.937 -30.074
  727   1HB   LYS  90          2HB       LYS  90 -10.400   6.378 -28.886
  728   2HB   LYS  90          1HB       LYS  90 -11.085   5.421 -30.190
  729   1HG   LYS  90          2HG       LYS  90 -11.113   7.316 -31.652
  730   2HG   LYS  90          1HG       LYS  90 -10.634   8.391 -30.339
  731   1HD   LYS  90          2HD       LYS  90  -8.739   7.851 -31.802
  732   2HD   LYS  90          1HD       LYS  90  -8.488   7.248 -30.165
  733   1HE   LYS  90          2HE       LYS  90  -7.787   5.589 -31.782
  734   2HE   LYS  90          1HE       LYS  90  -9.192   5.013 -30.892
  735   1HZ   LYS  90          1HZ       LYS  90 -10.586   5.544 -32.756
  736   2HZ   LYS  90          2HZ       LYS  90  -9.310   4.571 -33.288
  737   3HZ   LYS  90          3HZ       LYS  90  -9.289   6.234 -33.597
  738    H    LYS  91           H        LYS  91 -14.437   5.263 -29.893
  739    HA   LYS  91           HA       LYS  91 -14.385   3.672 -27.433
  740   1HB   LYS  91          2HB       LYS  91 -16.509   4.208 -29.489
  741   2HB   LYS  91          1HB       LYS  91 -16.627   2.812 -28.437
  742   1HG   LYS  91          2HG       LYS  91 -17.947   4.572 -27.519
  743   2HG   LYS  91          1HG       LYS  91 -16.540   4.341 -26.483
  744   1HD   LYS  91          2HD       LYS  91 -15.477   6.289 -27.409
  745   2HD   LYS  91          1HD       LYS  91 -16.757   6.467 -28.613
  746   1HE   LYS  91          2HE       LYS  91 -18.377   6.911 -26.858
  747   2HE   LYS  91          1HE       LYS  91 -17.143   6.651 -25.626
  748   1HZ   LYS  91          1HZ       LYS  91 -15.973   8.576 -26.365
  749   2HZ   LYS  91          2HZ       LYS  91 -17.588   9.015 -26.115
  750   3HZ   LYS  91          3HZ       LYS  91 -17.012   8.781 -27.687
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1   3.392 -25.623   9.217
    2   2H    MET   1          2HT       MET   1   1.971 -26.009  10.048
    3   3H    MET   1          3HT       MET   1   2.844 -24.625  10.468
    4    HA   MET   1           HA       MET   1   2.364 -23.591   8.397
    5   1HB   MET   1          2HB       MET   1   0.793 -24.669   6.807
    6   2HB   MET   1          1HB       MET   1   2.325 -25.515   6.942
    7   1HG   MET   1          2HG       MET   1  -0.149 -26.353   8.425
    8   2HG   MET   1          1HG       MET   1   0.272 -26.953   6.823
    9   1HE   MET   1          1HE       MET   1  -0.270 -28.882   9.250
   10   2HE   MET   1          2HE       MET   1   1.065 -30.026   9.112
   11   3HE   MET   1          3HE       MET   1   0.226 -29.470   7.664
   12    H    SER   2           H        SER   2   0.570 -22.270   8.214
   13    HA   SER   2           HA       SER   2  -1.273 -22.415  10.468
   14   1HB   SER   2          2HB       SER   2   0.004 -20.314   9.830
   15   2HB   SER   2          1HB       SER   2  -1.002 -20.229   8.389
   16    HG   SER   2           HG       SER   2  -1.570 -19.474  10.920
   17    H    ARG   3           H        ARG   3  -3.232 -20.736   8.939
   18    HA   ARG   3           HA       ARG   3  -4.784 -22.894   7.820
   19   1HB   ARG   3          2HB       ARG   3  -5.955 -21.182   9.074
   20   2HB   ARG   3          1HB       ARG   3  -5.303 -19.918   8.038
   21   1HG   ARG   3          2HG       ARG   3  -6.551 -20.886   6.137
   22   2HG   ARG   3          1HG       ARG   3  -7.268 -22.056   7.244
   23   1HD   ARG   3          2HD       ARG   3  -7.497 -19.073   7.575
   24   2HD   ARG   3          1HD       ARG   3  -8.694 -20.061   6.741
   25    HE   ARG   3           HE       ARG   3  -8.426 -21.264   9.169
   26   1HH1  ARG   3          1HH1      ARG   3  -9.128 -17.984   8.161
   27   2HH1  ARG   3          2HH1      ARG   3 -10.170 -17.658   9.510
   28   1HH2  ARG   3          1HH2      ARG   3  -9.791 -20.846  10.935
   29   2HH2  ARG   3          2HH2      ARG   3 -10.531 -19.286  11.108
   30    H    THR   4           H        THR   4  -5.107 -23.347   5.713
   31    HA   THR   4           HA       THR   4  -3.327 -22.060   3.827
   32    HB   THR   4           HB       THR   4  -4.461 -23.949   2.331
   33    HG1  THR   4           1HG      THR   4  -4.658 -25.765   4.041
   34   1HG2  THR   4          1HG2      THR   4  -2.650 -25.442   2.994
   35   2HG2  THR   4          2HG2      THR   4  -2.419 -24.524   4.483
   36   3HG2  THR   4          3HG2      THR   4  -2.077 -23.775   2.923
   37    H    ILE   5           H        ILE   5  -4.051 -20.246   3.010
   38    HA   ILE   5           HA       ILE   5  -6.824 -20.108   2.043
   39    HB   ILE   5           HB       ILE   5  -6.416 -17.630   1.912
   40   1HG1  ILE   5          2HG1      ILE   5  -4.502 -16.985   3.656
   41   2HG1  ILE   5          1HG1      ILE   5  -3.791 -18.479   3.061
   42   1HG2  ILE   5          1HG2      ILE   5  -6.152 -18.896   4.633
   43   2HG2  ILE   5          2HG2      ILE   5  -7.653 -18.633   3.745
   44   3HG2  ILE   5          3HG2      ILE   5  -6.709 -17.253   4.307
   45   1HD1  ILE   5          1HD1      ILE   5  -4.578 -16.111   1.376
   46   2HD1  ILE   5          2HD1      ILE   5  -3.843 -17.605   0.789
   47   3HD1  ILE   5          3HD1      ILE   5  -2.939 -16.542   1.869
   48    H    PHE   6           H        PHE   6  -7.193 -19.314  -0.088
   49    HA   PHE   6           HA       PHE   6  -5.012 -19.944  -1.895
   50   1HB   PHE   6          2HB       PHE   6  -7.933 -19.346  -2.349
   51   2HB   PHE   6          1HB       PHE   6  -6.786 -19.566  -3.669
   52    HD1  PHE   6           1HD      PHE   6  -8.336 -21.236  -0.755
   53    HD2  PHE   6           2HD      PHE   6  -6.102 -21.704  -4.346
   54    HE1  PHE   6           1HE      PHE   6  -8.631 -23.675  -0.618
   55    HE2  PHE   6           2HE      PHE   6  -6.402 -24.140  -4.219
   56    HZ   PHE   6           HZ       PHE   6  -7.666 -25.130  -2.352
   57    H    CYS   7           H        CYS   7  -3.597 -18.457  -2.291
   58    HA   CYS   7           HA       CYS   7  -4.036 -15.701  -1.777
   59   1HB   CYS   7          2HB       CYS   7  -1.840 -16.748  -1.485
   60   2HB   CYS   7          1HB       CYS   7  -1.762 -17.090  -3.209
   61    HG   CYS   7           HG       CYS   7  -2.085 -13.881  -2.149
   62    H    THR   8           H        THR   8  -4.287 -14.000  -3.144
   63    HA   THR   8           HA       THR   8  -5.687 -14.444  -5.557
   64    HB   THR   8           HB       THR   8  -5.235 -11.885  -5.779
   65    HG1  THR   8           1HG      THR   8  -4.246 -10.959  -4.103
   66   1HG2  THR   8          1HG2      THR   8  -7.375 -12.843  -5.060
   67   2HG2  THR   8          2HG2      THR   8  -6.978 -11.409  -4.113
   68   3HG2  THR   8          3HG2      THR   8  -6.750 -13.015  -3.420
   69    H    TYR   9           H        TYR   9  -2.411 -13.246  -4.894
   70    HA   TYR   9           HA       TYR   9  -1.724 -12.842  -7.619
   71   1HB   TYR   9          2HB       TYR   9  -0.533 -11.616  -5.935
   72   2HB   TYR   9          1HB       TYR   9  -0.047 -13.096  -5.117
   73    HD1  TYR   9           1HD      TYR   9   2.071 -13.933  -5.501
   74    HD2  TYR   9           2HD      TYR   9   0.316 -11.384  -8.421
   75    HE1  TYR   9           1HE      TYR   9   4.173 -13.963  -6.779
   76    HE2  TYR   9           2HE      TYR   9   2.413 -11.406  -9.707
   77    HH   TYR   9           HH       TYR   9   4.934 -13.611  -9.075
   78    H    LEU  10           H        LEU  10  -1.144 -15.512  -5.359
   79    HA   LEU  10           HA       LEU  10   0.487 -16.931  -7.264
   80   1HB   LEU  10          2HB       LEU  10  -0.659 -17.837  -4.626
   81   2HB   LEU  10          1HB       LEU  10   0.515 -18.719  -5.577
   82    HG   LEU  10           HG       LEU  10   0.995 -16.009  -4.330
   83   1HD1  LEU  10          1HD1      LEU  10   0.753 -17.779  -2.656
   84   2HD1  LEU  10          2HD1      LEU  10   2.417 -17.205  -2.756
   85   3HD1  LEU  10          3HD1      LEU  10   1.968 -18.739  -3.500
   86   1HD2  LEU  10          1HD2      LEU  10   2.318 -16.338  -6.337
   87   2HD2  LEU  10          2HD2      LEU  10   2.837 -17.923  -5.763
   88   3HD2  LEU  10          3HD2      LEU  10   3.350 -16.465  -4.913
   89    H    GLN  11           H        GLN  11  -2.855 -16.983  -6.221
   90    HA   GLN  11           HA       GLN  11  -4.677 -18.193  -6.816
   91   1HB   GLN  11          2HB       GLN  11  -2.930 -18.964  -9.158
   92   2HB   GLN  11          1HB       GLN  11  -4.592 -19.507  -8.981
   93   1HG   GLN  11          2HG       GLN  11  -3.701 -16.639  -9.171
   94   2HG   GLN  11          1HG       GLN  11  -4.399 -17.590 -10.482
   95   1HE2  GLN  11          1HE2      GLN  11  -5.015 -15.851  -7.560
   96   2HE2  GLN  11          2HE2      GLN  11  -6.742 -15.887  -7.658
   97    H    ARG  12           H        ARG  12  -2.225 -19.220  -5.365
   98    HA   ARG  12           HA       ARG  12  -2.852 -22.093  -5.433
   99   1HB   ARG  12          2HB       ARG  12  -0.560 -21.435  -6.283
  100   2HB   ARG  12          1HB       ARG  12  -0.219 -20.806  -4.680
  101   1HG   ARG  12          2HG       ARG  12   0.769 -22.981  -4.935
  102   2HG   ARG  12          1HG       ARG  12  -0.528 -23.051  -3.742
  103   1HD   ARG  12          2HD       ARG  12  -0.597 -24.984  -5.231
  104   2HD   ARG  12          1HD       ARG  12  -2.031 -23.979  -5.420
  105    HE   ARG  12           HE       ARG  12   0.208 -23.657  -7.289
  106   1HH1  ARG  12          1HH1      ARG  12  -3.093 -24.644  -6.659
  107   2HH1  ARG  12          2HH1      ARG  12  -3.533 -24.694  -8.338
  108   1HH2  ARG  12          1HH2      ARG  12  -0.365 -23.734  -9.503
  109   2HH2  ARG  12          2HH2      ARG  12  -1.979 -24.187  -9.952
  110    H    ASP  13           H        ASP  13  -2.704 -23.173  -3.365
  111    HA   ASP  13           HA       ASP  13  -3.679 -21.691  -1.166
  112   1HB   ASP  13          2HB       ASP  13  -3.361 -23.749   0.130
  113   2HB   ASP  13          1HB       ASP  13  -4.129 -24.095  -1.413
  114    H    ALA  14           H        ALA  14  -2.677 -20.680   0.427
  115    HA   ALA  14           HA       ALA  14   0.179 -21.099   0.889
  116   1HB   ALA  14          1HB       ALA  14   0.621 -18.699   0.879
  117   2HB   ALA  14          2HB       ALA  14  -1.052 -18.381   0.419
  118   3HB   ALA  14          3HB       ALA  14   0.022 -19.229  -0.695
  119    H    GLU  15           H        GLU  15   0.778 -19.622   2.896
  120    HA   GLU  15           HA       GLU  15  -1.237 -20.289   4.902
  121   1HB   GLU  15          2HB       GLU  15   0.527 -19.969   6.547
  122   2HB   GLU  15          1HB       GLU  15   1.088 -21.040   5.273
  123   1HG   GLU  15          2HG       GLU  15   2.379 -19.287   4.281
  124   2HG   GLU  15          1HG       GLU  15   1.713 -18.101   5.400
  125    H    GLY  16           H        GLY  16  -2.199 -18.791   6.235
  126   1HA   GLY  16          2HA       GLY  16  -2.384 -16.082   5.535
  127   2HA   GLY  16          1HA       GLY  16  -2.779 -16.745   7.120
  128    H    GLN  17           H        GLN  17  -1.160 -14.331   5.975
  129    HA   GLN  17           HA       GLN  17   1.551 -14.743   6.519
  130   1HB   GLN  17          2HB       GLN  17  -0.048 -12.192   6.493
  131   2HB   GLN  17          1HB       GLN  17   1.701 -12.252   6.619
  132   1HG   GLN  17          2HG       GLN  17   1.732 -13.464   4.444
  133   2HG   GLN  17          1HG       GLN  17   0.001 -13.149   4.317
  134   1HE2  GLN  17          1HE2      GLN  17   2.281 -10.912   5.745
  135   2HE2  GLN  17          2HE2      GLN  17   2.164  -9.714   4.506
  136    H    ASP  18           H        ASP  18  -0.041 -12.217   8.345
  137    HA   ASP  18           HA       ASP  18   0.954 -13.351  10.837
  138   1HB   ASP  18          2HB       ASP  18   1.992 -10.830   9.556
  139   2HB   ASP  18          1HB       ASP  18   2.044 -11.048  11.300
  140    H    PHE  19           H        PHE  19   0.708 -11.309  12.502
  141    HA   PHE  19           HA       PHE  19  -2.158 -10.716  12.391
  142   1HB   PHE  19          2HB       PHE  19  -0.238 -10.682  14.732
  143   2HB   PHE  19          1HB       PHE  19  -1.975 -10.410  14.827
  144    HD1  PHE  19           1HD      PHE  19   0.628 -12.834  14.920
  145    HD2  PHE  19           2HD      PHE  19  -3.502 -12.306  14.022
  146    HE1  PHE  19           1HE      PHE  19   0.264 -15.257  15.162
  147    HE2  PHE  19           2HE      PHE  19  -3.868 -14.722  14.265
  148    HZ   PHE  19           HZ       PHE  19  -1.985 -16.205  14.835
  149    H    GLN  20           H        GLN  20  -2.570  -8.613  13.840
  150    HA   GLN  20           HA       GLN  20  -1.610  -6.444  12.288
  151   1HB   GLN  20          2HB       GLN  20  -3.299  -6.689  14.752
  152   2HB   GLN  20          1HB       GLN  20  -2.732  -5.109  14.236
  153   1HG   GLN  20          2HG       GLN  20  -5.069  -6.170  13.468
  154   2HG   GLN  20          1HG       GLN  20  -4.163  -5.006  12.510
  155   1HE2  GLN  20          1HE2      GLN  20  -3.188  -5.647  10.629
  156   2HE2  GLN  20          2HE2      GLN  20  -3.467  -7.193   9.902
  157    H    LEU  21           H        LEU  21   0.570  -6.179  12.404
  158    HA   LEU  21           HA       LEU  21   1.706  -5.610  15.038
  159   1HB   LEU  21          2HB       LEU  21   3.902  -5.830  14.063
  160   2HB   LEU  21          1HB       LEU  21   2.944  -7.246  13.716
  161    HG   LEU  21           HG       LEU  21   4.267  -6.829  11.813
  162   1HD1  LEU  21          1HD1      LEU  21   2.718  -6.461  10.025
  163   2HD1  LEU  21          2HD1      LEU  21   1.569  -5.708  11.127
  164   3HD1  LEU  21          3HD1      LEU  21   1.955  -7.421  11.293
  165   1HD2  LEU  21          1HD2      LEU  21   4.955  -4.566  12.257
  166   2HD2  LEU  21          2HD2      LEU  21   3.342  -3.968  11.862
  167   3HD2  LEU  21          3HD2      LEU  21   4.341  -4.704  10.609
  168    H    TYR  22           H        TYR  22   0.492  -4.081  12.315
  169    HA   TYR  22           HA       TYR  22   0.848  -1.518  13.421
  170   1HB   TYR  22          2HB       TYR  22   3.132  -1.754  12.509
  171   2HB   TYR  22          1HB       TYR  22   2.462  -2.017  10.905
  172    HD1  TYR  22           1HD      TYR  22   1.586  -0.171   9.601
  173    HD2  TYR  22           2HD      TYR  22   3.045   0.460  13.546
  174    HE1  TYR  22           1HE      TYR  22   1.586   2.256   9.206
  175    HE2  TYR  22           2HE      TYR  22   3.047   2.891  13.162
  176    HH   TYR  22           HH       TYR  22   1.441   4.359  10.638
  177    HA   PRO  23           HA       PRO  23  -1.576  -1.159   9.280
  178   1HB   PRO  23          2HB       PRO  23  -1.799  -3.881   8.219
  179   2HB   PRO  23          1HB       PRO  23  -1.297  -2.401   7.394
  180   1HG   PRO  23          2HG       PRO  23   0.449  -4.364   7.948
  181   2HG   PRO  23          1HG       PRO  23   0.917  -2.654   8.013
  182   1HD   PRO  23          2HD       PRO  23   0.162  -4.492  10.266
  183   2HD   PRO  23          1HD       PRO  23   1.527  -3.360  10.156
  184    H    GLY  24           H        GLY  24  -3.784  -1.156   9.298
  185   1HA   GLY  24          2HA       GLY  24  -4.972  -2.640  11.493
  186   2HA   GLY  24          1HA       GLY  24  -5.712  -1.322  10.600
  187    H    GLU  25           H        GLU  25  -7.611  -2.156   9.996
  188    HA   GLU  25           HA       GLU  25  -8.050  -4.868   9.407
  189   1HB   GLU  25          2HB       GLU  25 -10.249  -4.108   8.534
  190   2HB   GLU  25          1HB       GLU  25  -9.876  -3.500  10.140
  191   1HG   GLU  25          2HG       GLU  25  -9.248  -1.345   9.187
  192   2HG   GLU  25          1HG       GLU  25  -9.597  -1.959   7.570
  193    H    LEU  26           H        LEU  26  -7.149  -2.170   7.374
  194    HA   LEU  26           HA       LEU  26  -7.754  -3.331   4.888
  195   1HB   LEU  26          2HB       LEU  26  -7.228  -0.949   5.174
  196   2HB   LEU  26          1HB       LEU  26  -5.570  -1.363   5.566
  197    HG   LEU  26           HG       LEU  26  -5.265  -2.272   3.297
  198   1HD1  LEU  26          1HD1      LEU  26  -6.980  -1.831   1.584
  199   2HD1  LEU  26          2HD1      LEU  26  -8.079  -1.283   2.850
  200   3HD1  LEU  26          3HD1      LEU  26  -7.536  -2.961   2.819
  201   1HD2  LEU  26          1HD2      LEU  26  -4.666   0.041   3.736
  202   2HD2  LEU  26          2HD2      LEU  26  -6.317   0.553   3.384
  203   3HD2  LEU  26          3HD2      LEU  26  -5.312  -0.128   2.104
  204    H    GLY  27           H        GLY  27  -4.749  -3.296   6.770
  205   1HA   GLY  27          2HA       GLY  27  -3.283  -4.939   4.983
  206   2HA   GLY  27          1HA       GLY  27  -2.881  -4.628   6.666
  207    H    LYS  28           H        LYS  28  -5.249  -5.617   7.829
  208    HA   LYS  28           HA       LYS  28  -4.696  -8.327   8.145
  209   1HB   LYS  28          2HB       LYS  28  -6.008  -6.824   9.682
  210   2HB   LYS  28          1HB       LYS  28  -7.366  -6.979   8.578
  211   1HG   LYS  28          2HG       LYS  28  -7.517  -9.334   9.010
  212   2HG   LYS  28          1HG       LYS  28  -6.047  -9.282   9.986
  213   1HD   LYS  28          2HD       LYS  28  -7.176  -7.742  11.552
  214   2HD   LYS  28          1HD       LYS  28  -8.650  -7.885  10.595
  215   1HE   LYS  28          2HE       LYS  28  -8.761  -9.349  12.518
  216   2HE   LYS  28          1HE       LYS  28  -8.683 -10.296  11.036
  217   1HZ   LYS  28          1HZ       LYS  28  -6.318 -10.641  11.432
  218   2HZ   LYS  28          2HZ       LYS  28  -7.240 -11.208  12.729
  219   3HZ   LYS  28          3HZ       LYS  28  -6.411  -9.743  12.863
  220    H    ARG  29           H        ARG  29  -7.182  -6.730   6.181
  221    HA   ARG  29           HA       ARG  29  -8.415  -8.985   5.110
  222   1HB   ARG  29          2HB       ARG  29  -9.016  -6.474   4.869
  223   2HB   ARG  29          1HB       ARG  29  -7.917  -6.488   3.499
  224   1HG   ARG  29          2HG       ARG  29  -9.404  -8.570   2.809
  225   2HG   ARG  29          1HG       ARG  29 -10.590  -7.721   3.803
  226   1HD   ARG  29          2HD       ARG  29 -10.972  -6.849   1.683
  227   2HD   ARG  29          1HD       ARG  29  -9.902  -5.646   2.415
  228    HE   ARG  29           HE       ARG  29  -8.684  -7.791   0.840
  229   1HH1  ARG  29          1HH1      ARG  29  -9.652  -4.423   1.012
  230   2HH1  ARG  29          2HH1      ARG  29  -8.656  -3.941  -0.320
  231   1HH2  ARG  29          1HH2      ARG  29  -7.391  -7.200  -0.879
  232   2HH2  ARG  29          2HH2      ARG  29  -7.348  -5.540  -1.404
  233    H    ILE  30           H        ILE  30  -5.621  -7.138   3.967
  234    HA   ILE  30           HA       ILE  30  -5.119  -8.629   1.638
  235    HB   ILE  30           HB       ILE  30  -3.170  -7.041   3.322
  236   1HG1  ILE  30          2HG1      ILE  30  -4.735  -6.239   0.856
  237   2HG1  ILE  30          1HG1      ILE  30  -5.140  -5.767   2.502
  238   1HG2  ILE  30          1HG2      ILE  30  -1.998  -8.560   1.828
  239   2HG2  ILE  30          2HG2      ILE  30  -1.820  -6.894   1.276
  240   3HG2  ILE  30          3HG2      ILE  30  -2.948  -7.979   0.462
  241   1HD1  ILE  30          1HD1      ILE  30  -3.047  -4.548   2.684
  242   2HD1  ILE  30          2HD1      ILE  30  -3.988  -3.988   1.303
  243   3HD1  ILE  30          3HD1      ILE  30  -2.602  -5.049   1.053
  244    H    TYR  31           H        TYR  31  -4.127  -9.118   4.986
  245    HA   TYR  31           HA       TYR  31  -2.202 -11.137   4.447
  246   1HB   TYR  31          2HB       TYR  31  -3.808 -10.601   6.954
  247   2HB   TYR  31          1HB       TYR  31  -2.459 -11.726   6.853
  248    HD1  TYR  31           1HD      TYR  31  -0.850  -9.846   4.929
  249    HD2  TYR  31           2HD      TYR  31  -2.762  -9.272   8.683
  250    HE1  TYR  31           1HE      TYR  31   0.708  -8.024   5.431
  251    HE2  TYR  31           2HE      TYR  31  -1.211  -7.434   9.197
  252    HH   TYR  31           HH       TYR  31   0.885  -6.083   6.829
  253    H    ASN  32           H        ASN  32  -5.633 -11.131   4.467
  254    HA   ASN  32           HA       ASN  32  -5.784 -14.043   4.568
  255   1HB   ASN  32          2HB       ASN  32  -7.875 -11.900   4.196
  256   2HB   ASN  32          1HB       ASN  32  -8.243 -13.613   4.064
  257   1HD2  ASN  32          1HD2      ASN  32  -7.424 -11.010   6.186
  258   2HD2  ASN  32          2HD2      ASN  32  -7.759 -11.841   7.663
  259    H    GLU  33           H        GLU  33  -4.824 -11.929   2.271
  260    HA   GLU  33           HA       GLU  33  -5.960 -13.532   0.063
  261   1HB   GLU  33          2HB       GLU  33  -5.351 -10.575   0.175
  262   2HB   GLU  33          1HB       GLU  33  -5.659 -11.437  -1.328
  263   1HG   GLU  33          2HG       GLU  33  -7.878 -11.739  -0.865
  264   2HG   GLU  33          1HG       GLU  33  -7.637 -11.661   0.877
  265    H    ILE  34           H        ILE  34  -3.179 -11.853   1.347
  266    HA   ILE  34           HA       ILE  34  -1.496 -13.054  -0.745
  267    HB   ILE  34           HB       ILE  34  -1.162 -10.497   0.831
  268   1HG1  ILE  34          2HG1      ILE  34  -2.653 -10.438  -1.148
  269   2HG1  ILE  34          1HG1      ILE  34  -1.230  -9.420  -1.339
  270   1HG2  ILE  34          1HG2      ILE  34   0.812 -11.767  -1.057
  271   2HG2  ILE  34          2HG2      ILE  34   1.006 -11.591   0.685
  272   3HG2  ILE  34          3HG2      ILE  34   0.955 -10.161  -0.344
  273   1HD1  ILE  34          1HD1      ILE  34  -0.181 -11.218  -2.674
  274   2HD1  ILE  34          2HD1      ILE  34  -1.663 -10.583  -3.391
  275   3HD1  ILE  34          3HD1      ILE  34  -1.683 -12.137  -2.556
  276    H    SER  35           H        SER  35   0.421 -14.071  -0.104
  277    HA   SER  35           HA       SER  35   0.622 -14.611   2.769
  278   1HB   SER  35          2HB       SER  35   0.292 -16.564   1.181
  279   2HB   SER  35          1HB       SER  35   1.911 -16.225   0.567
  280    HG   SER  35           HG       SER  35   1.117 -17.091   3.139
  281    H    LYS  36           H        LYS  36   3.005 -15.254   3.288
  282    HA   LYS  36           HA       LYS  36   4.330 -12.830   3.516
  283   1HB   LYS  36          2HB       LYS  36   5.342 -15.644   3.896
  284   2HB   LYS  36          1HB       LYS  36   6.219 -14.205   4.403
  285   1HG   LYS  36          2HG       LYS  36   4.666 -13.687   6.054
  286   2HG   LYS  36          1HG       LYS  36   3.419 -14.707   5.335
  287   1HD   LYS  36          2HD       LYS  36   4.627 -16.697   5.970
  288   2HD   LYS  36          1HD       LYS  36   5.969 -15.728   6.585
  289   1HE   LYS  36          2HE       LYS  36   4.563 -14.814   8.317
  290   2HE   LYS  36          1HE       LYS  36   3.149 -15.628   7.646
  291   1HZ   LYS  36          1HZ       LYS  36   4.138 -17.750   8.162
  292   2HZ   LYS  36          2HZ       LYS  36   4.067 -16.797   9.562
  293   3HZ   LYS  36          3HZ       LYS  36   5.539 -16.997   8.752
  294    H    ASP  37           H        ASP  37   4.812 -15.383   1.136
  295    HA   ASP  37           HA       ASP  37   7.329 -14.482   0.203
  296   1HB   ASP  37          2HB       ASP  37   6.460 -16.756  -0.247
  297   2HB   ASP  37          1HB       ASP  37   5.225 -16.064  -1.294
  298    H    ALA  38           H        ALA  38   4.115 -14.194  -1.302
  299    HA   ALA  38           HA       ALA  38   4.880 -12.428  -3.331
  300   1HB   ALA  38          1HB       ALA  38   2.807 -13.695  -3.421
  301   2HB   ALA  38          2HB       ALA  38   2.481 -11.969  -3.582
  302   3HB   ALA  38          3HB       ALA  38   2.174 -12.784  -2.050
  303    H    TRP  39           H        TRP  39   3.732 -11.864  -0.063
  304    HA   TRP  39           HA       TRP  39   3.378  -9.093  -0.161
  305   1HB   TRP  39          2HB       TRP  39   2.611 -10.508   1.691
  306   2HB   TRP  39          1HB       TRP  39   4.276 -10.843   2.141
  307    HD1  TRP  39           HD       TRP  39   5.168  -9.402   4.038
  308    HE1  TRP  39           1HE      TRP  39   4.521  -7.161   5.126
  309    HE3  TRP  39           3HE      TRP  39   1.409  -8.019   0.857
  310    HZ2  TRP  39           2HZ      TRP  39   2.664  -5.080   4.686
  311    HZ3  TRP  39           3HZ      TRP  39   0.249  -5.887   1.263
  312    HH2  TRP  39           HH       TRP  39   0.864  -4.447   3.138
  313    H    ALA  40           H        ALA  40   6.220 -10.977   0.867
  314    HA   ALA  40           HA       ALA  40   7.884  -8.744   1.322
  315   1HB   ALA  40          1HB       ALA  40   8.684 -11.571   0.651
  316   2HB   ALA  40          2HB       ALA  40   8.306 -10.968   2.264
  317   3HB   ALA  40          3HB       ALA  40   9.709 -10.344   1.396
  318    H    GLN  41           H        GLN  41   7.334 -10.755  -1.532
  319    HA   GLN  41           HA       GLN  41   9.504  -9.717  -3.032
  320   1HB   GLN  41          2HB       GLN  41   6.963 -11.064  -3.953
  321   2HB   GLN  41          1HB       GLN  41   8.318 -10.682  -5.004
  322   1HG   GLN  41          2HG       GLN  41   8.221 -12.649  -2.740
  323   2HG   GLN  41          1HG       GLN  41   8.534 -12.955  -4.447
  324   1HE2  GLN  41          1HE2      GLN  41   9.848 -11.919  -1.438
  325   2HE2  GLN  41          2HE2      GLN  41  11.503 -11.866  -1.929
  326    H    TRP  42           H        TRP  42   6.080  -8.807  -2.816
  327    HA   TRP  42           HA       TRP  42   6.226  -6.914  -4.915
  328   1HB   TRP  42          2HB       TRP  42   4.084  -7.849  -4.186
  329   2HB   TRP  42          1HB       TRP  42   4.259  -7.048  -2.626
  330    HD1  TRP  42           HD       TRP  42   2.629  -5.066  -2.568
  331    HE1  TRP  42           1HE      TRP  42   1.971  -3.176  -4.185
  332    HE3  TRP  42           3HE      TRP  42   5.373  -6.472  -6.658
  333    HZ2  TRP  42           2HZ      TRP  42   2.533  -2.382  -6.832
  334    HZ3  TRP  42           3HZ      TRP  42   5.259  -5.089  -8.687
  335    HH2  TRP  42           HH       TRP  42   3.866  -3.089  -8.771
  336    H    GLN  43           H        GLN  43   6.608  -6.638  -1.396
  337    HA   GLN  43           HA       GLN  43   6.846  -3.824  -1.352
  338   1HB   GLN  43          2HB       GLN  43   8.152  -5.819   0.511
  339   2HB   GLN  43          1HB       GLN  43   7.950  -4.100   0.819
  340   1HG   GLN  43          2HG       GLN  43   5.474  -4.473   0.665
  341   2HG   GLN  43          1HG       GLN  43   5.817  -6.203   0.644
  342   1HE2  GLN  43          1HE2      GLN  43   6.791  -7.147   2.479
  343   2HE2  GLN  43          2HE2      GLN  43   6.669  -6.405   4.034
  344    H    HIS  44           H        HIS  44   9.211  -6.411  -1.723
  345    HA   HIS  44           HA       HIS  44  11.557  -4.915  -1.771
  346   1HB   HIS  44          2HB       HIS  44  11.406  -7.410  -1.760
  347   2HB   HIS  44          1HB       HIS  44  10.927  -7.352  -3.453
  348    HD1  HIS  44           1HD      HIS  44  12.806  -7.768  -4.998
  349    HD2  HIS  44           2HD      HIS  44  14.092  -6.038  -1.447
  350    HE1  HIS  44           1HE      HIS  44  15.305  -7.621  -5.189
  351    HE2  HIS  44           2HE      HIS  44  16.070  -6.752  -2.950
  352    H    LYS  45           H        LYS  45   9.449  -5.868  -4.457
  353    HA   LYS  45           HA       LYS  45  10.854  -4.521  -6.490
  354   1HB   LYS  45          2HB       LYS  45   9.247  -6.291  -6.950
  355   2HB   LYS  45          1HB       LYS  45   7.942  -5.313  -6.296
  356   1HG   LYS  45          2HG       LYS  45   7.862  -5.304  -8.700
  357   2HG   LYS  45          1HG       LYS  45   8.269  -3.692  -8.113
  358   1HD   LYS  45          2HD       LYS  45  10.580  -4.005  -8.677
  359   2HD   LYS  45          1HD       LYS  45  10.303  -5.703  -9.067
  360   1HE   LYS  45          2HE       LYS  45   8.786  -4.988 -10.888
  361   2HE   LYS  45          1HE       LYS  45   9.199  -3.313 -10.531
  362   1HZ   LYS  45          1HZ       LYS  45  10.491  -4.219 -12.376
  363   2HZ   LYS  45          2HZ       LYS  45  11.134  -5.403 -11.356
  364   3HZ   LYS  45          3HZ       LYS  45  11.489  -3.774 -11.084
  365    H    GLN  46           H        GLN  46   7.941  -3.579  -4.680
  366    HA   GLN  46           HA       GLN  46   7.510  -1.145  -5.979
  367   1HB   GLN  46          2HB       GLN  46   5.841  -2.319  -4.583
  368   2HB   GLN  46          1HB       GLN  46   6.769  -1.898  -3.149
  369   1HG   GLN  46          2HG       GLN  46   4.908  -0.405  -3.361
  370   2HG   GLN  46          1HG       GLN  46   6.401   0.485  -3.648
  371   1HE2  GLN  46          1HE2      GLN  46   5.379   2.095  -4.795
  372   2HE2  GLN  46          2HE2      GLN  46   4.712   1.861  -6.375
  373    H    THR  47           H        THR  47   9.388  -1.869  -3.045
  374    HA   THR  47           HA       THR  47   9.951   0.809  -2.372
  375    HB   THR  47           HB       THR  47  11.650  -1.626  -1.797
  376    HG1  THR  47           1HG      THR  47   9.698  -2.041  -0.899
  377   1HG2  THR  47          1HG2      THR  47  12.823   0.487  -1.383
  378   2HG2  THR  47          2HG2      THR  47  12.448  -0.334   0.131
  379   3HG2  THR  47          3HG2      THR  47  11.479   1.046  -0.389
  380    H    MET  48           H        MET  48  11.629  -1.489  -4.477
  381    HA   MET  48           HA       MET  48  13.849   0.164  -5.060
  382   1HB   MET  48          2HB       MET  48  13.659  -2.300  -5.568
  383   2HB   MET  48          1HB       MET  48  12.588  -1.878  -6.898
  384   1HG   MET  48          2HG       MET  48  14.794  -2.235  -7.754
  385   2HG   MET  48          1HG       MET  48  14.401  -0.520  -7.880
  386   1HE   MET  48          1HE       MET  48  17.268  -2.345  -4.753
  387   2HE   MET  48          2HE       MET  48  16.484  -3.259  -6.039
  388   3HE   MET  48          3HE       MET  48  15.526  -2.616  -4.705
  389    H    LEU  49           H        LEU  49  10.634  -0.159  -6.442
  390    HA   LEU  49           HA       LEU  49  11.031   1.610  -8.626
  391   1HB   LEU  49          2HB       LEU  49   8.466   0.864  -7.212
  392   2HB   LEU  49          1HB       LEU  49   8.579   1.652  -8.775
  393    HG   LEU  49           HG       LEU  49   9.553  -1.137  -8.144
  394   1HD1  LEU  49          1HD1      LEU  49   7.192  -0.188  -9.758
  395   2HD1  LEU  49          2HD1      LEU  49   7.120  -0.954  -8.171
  396   3HD1  LEU  49          3HD1      LEU  49   7.712  -1.862  -9.562
  397   1HD2  LEU  49          1HD2      LEU  49  10.909  -0.044  -9.861
  398   2HD2  LEU  49          2HD2      LEU  49   9.447   0.353 -10.764
  399   3HD2  LEU  49          3HD2      LEU  49   9.918  -1.332 -10.545
  400    H    ILE  50           H        ILE  50  10.051   2.054  -5.283
  401    HA   ILE  50           HA       ILE  50   9.225   4.738  -5.449
  402    HB   ILE  50           HB       ILE  50  10.471   3.250  -3.130
  403   1HG1  ILE  50          2HG1      ILE  50   7.584   3.928  -3.727
  404   2HG1  ILE  50          1HG1      ILE  50   8.319   2.351  -3.986
  405   1HG2  ILE  50          1HG2      ILE  50   9.024   5.900  -3.126
  406   2HG2  ILE  50          2HG2      ILE  50  10.743   5.655  -2.820
  407   3HG2  ILE  50          3HG2      ILE  50   9.548   5.009  -1.696
  408   1HD1  ILE  50          1HD1      ILE  50   7.939   3.746  -1.351
  409   2HD1  ILE  50          2HD1      ILE  50   8.778   2.213  -1.570
  410   3HD1  ILE  50          3HD1      ILE  50   7.059   2.337  -1.944
  411    H    ASN  51           H        ASN  51  12.392   3.262  -5.137
  412    HA   ASN  51           HA       ASN  51  13.887   5.595  -4.596
  413   1HB   ASN  51          2HB       ASN  51  14.678   3.023  -5.980
  414   2HB   ASN  51          1HB       ASN  51  15.820   4.273  -5.501
  415   1HD2  ASN  51          1HD2      ASN  51  15.639   1.499  -4.682
  416   2HD2  ASN  51          2HD2      ASN  51  15.484   1.519  -2.961
  417    H    GLU  52           H        GLU  52  12.816   4.074  -7.566
  418    HA   GLU  52           HA       GLU  52  14.311   5.877  -9.247
  419   1HB   GLU  52          2HB       GLU  52  12.331   3.677  -9.828
  420   2HB   GLU  52          1HB       GLU  52  13.075   4.651 -11.088
  421   1HG   GLU  52          2HG       GLU  52  14.623   3.035  -9.077
  422   2HG   GLU  52          1HG       GLU  52  14.176   2.458 -10.681
  423    H    LYS  53           H        LYS  53  10.932   5.436  -8.290
  424    HA   LYS  53           HA       LYS  53   9.957   7.501 -10.019
  425   1HB   LYS  53          2HB       LYS  53   8.709   6.174  -7.608
  426   2HB   LYS  53          1HB       LYS  53   7.874   7.318  -8.649
  427   1HG   LYS  53          2HG       LYS  53   8.241   5.768 -10.556
  428   2HG   LYS  53          1HG       LYS  53   8.925   4.602  -9.418
  429   1HD   LYS  53          2HD       LYS  53   6.815   4.577  -8.178
  430   2HD   LYS  53          1HD       LYS  53   6.134   5.756  -9.300
  431   1HE   LYS  53          2HE       LYS  53   6.564   4.097 -11.136
  432   2HE   LYS  53          1HE       LYS  53   6.975   2.926  -9.884
  433   1HZ   LYS  53          1HZ       LYS  53   4.679   2.698 -10.574
  434   2HZ   LYS  53          2HZ       LYS  53   4.365   4.307 -10.177
  435   3HZ   LYS  53          3HZ       LYS  53   4.745   3.195  -8.957
  436    H    LYS  54           H        LYS  54  11.340   7.375  -6.856
  437    HA   LYS  54           HA       LYS  54  11.824   8.937  -5.288
  438   1HB   LYS  54          2HB       LYS  54  11.646  10.647  -7.757
  439   2HB   LYS  54          1HB       LYS  54  12.070  11.324  -6.190
  440   1HG   LYS  54          2HG       LYS  54  14.065  10.136  -6.072
  441   2HG   LYS  54          1HG       LYS  54  13.558   8.978  -7.301
  442   1HD   LYS  54          2HD       LYS  54  13.999  11.895  -7.892
  443   2HD   LYS  54          1HD       LYS  54  15.283  10.691  -8.010
  444   1HE   LYS  54          2HE       LYS  54  13.922   9.427  -9.625
  445   2HE   LYS  54          1HE       LYS  54  12.674  10.666  -9.532
  446   1HZ   LYS  54          1HZ       LYS  54  14.270  12.273 -10.387
  447   2HZ   LYS  54          2HZ       LYS  54  14.078  10.981 -11.460
  448   3HZ   LYS  54          3HZ       LYS  54  15.455  11.069 -10.486
  449    H    LEU  55           H        LEU  55   9.203   8.079  -5.441
  450    HA   LEU  55           HA       LEU  55   7.486  10.383  -5.155
  451   1HB   LEU  55          2HB       LEU  55   5.691   8.773  -4.814
  452   2HB   LEU  55          1HB       LEU  55   6.599   8.413  -6.263
  453    HG   LEU  55           HG       LEU  55   7.860   6.731  -4.664
  454   1HD1  LEU  55          1HD1      LEU  55   6.688   7.420  -2.626
  455   2HD1  LEU  55          2HD1      LEU  55   6.376   5.728  -3.018
  456   3HD1  LEU  55          3HD1      LEU  55   5.153   6.952  -3.357
  457   1HD2  LEU  55          1HD2      LEU  55   5.112   6.223  -5.787
  458   2HD2  LEU  55          2HD2      LEU  55   6.307   4.992  -5.382
  459   3HD2  LEU  55          3HD2      LEU  55   6.629   6.138  -6.682
  460    H    ASN  56           H        ASN  56   6.642  11.152  -3.268
  461    HA   ASN  56           HA       ASN  56   7.691   9.933  -0.802
  462   1HB   ASN  56          2HB       ASN  56   7.119  12.846  -1.387
  463   2HB   ASN  56          1HB       ASN  56   7.522  12.219   0.208
  464   1HD2  ASN  56          1HD2      ASN  56   8.692  13.053  -2.922
  465   2HD2  ASN  56          2HD2      ASN  56  10.373  12.852  -2.583
  466    H    MET  57           H        MET  57   6.326   9.771   0.966
  467    HA   MET  57           HA       MET  57   3.552   9.463   0.287
  468   1HB   MET  57          2HB       MET  57   5.056   9.066   2.877
  469   2HB   MET  57          1HB       MET  57   3.333   8.763   2.699
  470   1HG   MET  57          2HG       MET  57   4.463   6.684   2.516
  471   2HG   MET  57          1HG       MET  57   3.878   7.117   0.912
  472   1HE   MET  57          1HE       MET  57   6.030   4.837   1.327
  473   2HE   MET  57          2HE       MET  57   7.176   5.225   0.044
  474   3HE   MET  57          3HE       MET  57   5.441   5.358  -0.253
  475    H    MET  58           H        MET  58   5.433  12.008   1.354
  476    HA   MET  58           HA       MET  58   3.570  13.476   2.897
  477   1HB   MET  58          2HB       MET  58   5.768  14.449   1.062
  478   2HB   MET  58          1HB       MET  58   4.906  15.453   2.220
  479   1HG   MET  58          2HG       MET  58   5.771  14.073   4.049
  480   2HG   MET  58          1HG       MET  58   6.649  13.090   2.879
  481   1HE   MET  58          1HE       MET  58   9.173  15.729   1.410
  482   2HE   MET  58          2HE       MET  58   7.563  15.357   0.799
  483   3HE   MET  58          3HE       MET  58   8.624  14.056   1.337
  484    H    ASN  59           H        ASN  59   3.965  12.888  -0.492
  485    HA   ASN  59           HA       ASN  59   2.074  14.935  -1.283
  486   1HB   ASN  59          2HB       ASN  59   3.471  12.771  -2.871
  487   2HB   ASN  59          1HB       ASN  59   2.412  13.993  -3.567
  488   1HD2  ASN  59          1HD2      ASN  59   3.135  16.077  -3.790
  489   2HD2  ASN  59          2HD2      ASN  59   4.794  16.519  -3.580
  490    H    ALA  60           H        ALA  60  -0.041  14.613  -1.141
  491    HA   ALA  60           HA       ALA  60  -1.317  12.250  -0.456
  492   1HB   ALA  60          1HB       ALA  60  -3.388  13.326  -1.174
  493   2HB   ALA  60          2HB       ALA  60  -2.457  14.558  -2.025
  494   3HB   ALA  60          3HB       ALA  60  -2.369  14.444  -0.266
  495    H    GLU  61           H        GLU  61  -0.563  13.569  -3.610
  496    HA   GLU  61           HA       GLU  61  -1.961  11.847  -5.267
  497   1HB   GLU  61          2HB       GLU  61  -0.858  13.781  -6.153
  498   2HB   GLU  61          1HB       GLU  61   0.709  13.190  -5.630
  499   1HG   GLU  61          2HG       GLU  61   0.543  11.346  -7.223
  500   2HG   GLU  61          1HG       GLU  61  -1.018  11.961  -7.763
  501    H    HIS  62           H        HIS  62   1.260  11.403  -3.818
  502    HA   HIS  62           HA       HIS  62   1.675   9.047  -5.431
  503   1HB   HIS  62          2HB       HIS  62   3.411  10.449  -3.412
  504   2HB   HIS  62          1HB       HIS  62   3.882   8.946  -4.195
  505    HD1  HIS  62           1HD      HIS  62   4.030   9.094  -6.906
  506    HD2  HIS  62           2HD      HIS  62   3.975  12.694  -4.834
  507    HE1  HIS  62           1HE      HIS  62   4.843  10.821  -8.538
  508    HE2  HIS  62           2HE      HIS  62   4.590  13.012  -7.327
  509    H    ARG  63           H        ARG  63   0.901   9.733  -2.059
  510    HA   ARG  63           HA       ARG  63   1.460   7.137  -1.098
  511   1HB   ARG  63          2HB       ARG  63  -0.233   7.737   0.727
  512   2HB   ARG  63          1HB       ARG  63   1.213   8.724   0.592
  513   1HG   ARG  63          2HG       ARG  63   0.048  10.537  -0.264
  514   2HG   ARG  63          1HG       ARG  63  -1.323   9.545  -0.761
  515   1HD   ARG  63          2HD       ARG  63  -1.604  11.037   1.303
  516   2HD   ARG  63          1HD       ARG  63  -2.137   9.361   1.409
  517    HE   ARG  63           HE       ARG  63   0.107   8.964   2.510
  518   1HH1  ARG  63          1HH1      ARG  63  -1.478  12.084   2.668
  519   2HH1  ARG  63          2HH1      ARG  63  -0.875  12.452   4.248
  520   1HH2  ARG  63          1HH2      ARG  63   0.912   9.453   4.588
  521   2HH2  ARG  63          2HH2      ARG  63   0.499  10.963   5.335
  522    H    LYS  64           H        LYS  64  -1.554   8.559  -2.358
  523    HA   LYS  64           HA       LYS  64  -3.002   6.111  -2.027
  524   1HB   LYS  64          2HB       LYS  64  -4.792   7.187  -3.285
  525   2HB   LYS  64          1HB       LYS  64  -4.169   8.269  -2.046
  526   1HG   LYS  64          2HG       LYS  64  -2.892   9.479  -3.728
  527   2HG   LYS  64          1HG       LYS  64  -3.484   8.377  -4.978
  528   1HD   LYS  64          2HD       LYS  64  -5.757   9.098  -4.589
  529   2HD   LYS  64          1HD       LYS  64  -5.236  10.118  -3.244
  530   1HE   LYS  64          2HE       LYS  64  -3.858  11.423  -4.834
  531   2HE   LYS  64          1HE       LYS  64  -4.502  10.446  -6.152
  532   1HZ   LYS  64          1HZ       LYS  64  -6.091  12.178  -4.343
  533   2HZ   LYS  64          2HZ       LYS  64  -6.716  11.242  -5.600
  534   3HZ   LYS  64          3HZ       LYS  64  -5.680  12.535  -5.944
  535    H    LEU  65           H        LEU  65  -1.045   7.540  -4.518
  536    HA   LEU  65           HA       LEU  65  -1.799   5.898  -6.680
  537   1HB   LEU  65          2HB       LEU  65  -0.257   8.014  -6.551
  538   2HB   LEU  65          1HB       LEU  65   1.019   6.852  -6.263
  539    HG   LEU  65           HG       LEU  65   0.885   7.589  -8.618
  540   1HD1  LEU  65          1HD1      LEU  65   1.833   5.407  -8.112
  541   2HD1  LEU  65          2HD1      LEU  65   0.978   5.387  -9.655
  542   3HD1  LEU  65          3HD1      LEU  65   0.233   4.675  -8.222
  543   1HD2  LEU  65          1HD2      LEU  65  -1.542   7.921  -8.708
  544   2HD2  LEU  65          2HD2      LEU  65  -1.775   6.174  -8.643
  545   3HD2  LEU  65          3HD2      LEU  65  -0.960   6.904 -10.026
  546    H    LEU  66           H        LEU  66   0.694   5.579  -4.190
  547    HA   LEU  66           HA       LEU  66   1.710   3.082  -4.992
  548   1HB   LEU  66          2HB       LEU  66   2.728   4.721  -3.359
  549   2HB   LEU  66          1HB       LEU  66   1.564   4.164  -2.175
  550    HG   LEU  66           HG       LEU  66   3.443   2.217  -3.483
  551   1HD1  LEU  66          1HD1      LEU  66   4.847   4.008  -2.631
  552   2HD1  LEU  66          2HD1      LEU  66   4.990   2.575  -1.613
  553   3HD1  LEU  66          3HD1      LEU  66   4.015   3.941  -1.076
  554   1HD2  LEU  66          1HD2      LEU  66   3.134   0.989  -1.419
  555   2HD2  LEU  66          2HD2      LEU  66   1.565   1.364  -2.130
  556   3HD2  LEU  66          3HD2      LEU  66   2.156   2.296  -0.754
  557    H    GLU  67           H        GLU  67  -0.917   3.990  -2.808
  558    HA   GLU  67           HA       GLU  67  -1.684   1.457  -1.917
  559   1HB   GLU  67          2HB       GLU  67  -2.625   3.562  -1.027
  560   2HB   GLU  67          1HB       GLU  67  -3.458   3.828  -2.554
  561   1HG   GLU  67          2HG       GLU  67  -4.665   1.664  -2.158
  562   2HG   GLU  67          1HG       GLU  67  -3.967   1.655  -0.540
  563    H    GLN  68           H        GLN  68  -2.737   3.286  -4.767
  564    HA   GLN  68           HA       GLN  68  -4.462   1.371  -5.843
  565   1HB   GLN  68          2HB       GLN  68  -2.762   3.420  -7.275
  566   2HB   GLN  68          1HB       GLN  68  -4.067   2.503  -8.015
  567   1HG   GLN  68          2HG       GLN  68  -5.669   3.521  -6.504
  568   2HG   GLN  68          1HG       GLN  68  -4.372   4.405  -5.701
  569   1HE2  GLN  68          1HE2      GLN  68  -4.513   3.878  -9.151
  570   2HE2  GLN  68          2HE2      GLN  68  -4.805   5.522  -9.583
  571    H    GLU  69           H        GLU  69  -0.962   1.841  -6.367
  572    HA   GLU  69           HA       GLU  69  -0.617  -0.189  -8.259
  573   1HB   GLU  69          2HB       GLU  69   1.348   0.755  -6.163
  574   2HB   GLU  69          1HB       GLU  69   1.756  -0.218  -7.568
  575   1HG   GLU  69          2HG       GLU  69   0.638   1.771  -8.866
  576   2HG   GLU  69          1HG       GLU  69   1.026   2.659  -7.393
  577    H    MET  70           H        MET  70  -0.393  -0.341  -4.715
  578    HA   MET  70           HA       MET  70   0.284  -3.049  -4.521
  579   1HB   MET  70          2HB       MET  70  -1.050  -1.118  -2.671
  580   2HB   MET  70          1HB       MET  70  -1.011  -2.825  -2.248
  581   1HG   MET  70          2HG       MET  70   1.441  -2.787  -2.441
  582   2HG   MET  70          1HG       MET  70   1.368  -1.059  -2.783
  583   1HE   MET  70          1HE       MET  70   2.837  -1.428   0.903
  584   2HE   MET  70          2HE       MET  70   3.201  -0.930  -0.747
  585   3HE   MET  70          3HE       MET  70   3.012  -2.642  -0.366
  586    H    VAL  71           H        VAL  71  -2.929  -1.522  -4.384
  587    HA   VAL  71           HA       VAL  71  -4.287  -3.994  -4.073
  588    HB   VAL  71           HB       VAL  71  -5.399  -1.332  -4.980
  589   1HG1  VAL  71          1HG1      VAL  71  -6.830  -3.708  -3.796
  590   2HG1  VAL  71          2HG1      VAL  71  -6.877  -3.242  -5.494
  591   3HG1  VAL  71          3HG1      VAL  71  -7.557  -2.172  -4.267
  592   1HG2  VAL  71          1HG2      VAL  71  -6.036  -1.027  -2.647
  593   2HG2  VAL  71          2HG2      VAL  71  -4.289  -1.219  -2.796
  594   3HG2  VAL  71          3HG2      VAL  71  -5.279  -2.564  -2.229
  595    H    SER  72           H        SER  72  -3.071  -2.365  -6.877
  596    HA   SER  72           HA       SER  72  -4.835  -3.805  -8.675
  597   1HB   SER  72          2HB       SER  72  -2.444  -2.063  -9.301
  598   2HB   SER  72          1HB       SER  72  -3.604  -2.686 -10.476
  599    HG   SER  72           HG       SER  72  -3.964  -0.748  -8.464
  600    H    PHE  73           H        PHE  73  -1.779  -4.313  -7.191
  601    HA   PHE  73           HA       PHE  73  -1.106  -6.413  -9.125
  602   1HB   PHE  73          2HB       PHE  73   0.651  -4.768  -8.428
  603   2HB   PHE  73          1HB       PHE  73   0.535  -5.405  -6.791
  604    HD1  PHE  73           1HD      PHE  73   1.621  -6.096 -10.218
  605    HD2  PHE  73           2HD      PHE  73   1.487  -7.538  -6.216
  606    HE1  PHE  73           1HE      PHE  73   3.295  -7.806 -10.783
  607    HE2  PHE  73           2HE      PHE  73   3.161  -9.253  -6.774
  608    HZ   PHE  73           HZ       PHE  73   4.069  -9.388  -9.060
  609    H    LEU  74           H        LEU  74  -1.470  -5.933  -5.628
  610    HA   LEU  74           HA       LEU  74  -1.198  -8.709  -5.027
  611   1HB   LEU  74          2HB       LEU  74  -2.157  -6.382  -3.368
  612   2HB   LEU  74          1HB       LEU  74  -1.911  -8.000  -2.736
  613    HG   LEU  74           HG       LEU  74   0.241  -6.232  -3.911
  614   1HD1  LEU  74          1HD1      LEU  74  -0.530  -5.390  -1.778
  615   2HD1  LEU  74          2HD1      LEU  74   1.067  -6.117  -1.599
  616   3HD1  LEU  74          3HD1      LEU  74  -0.363  -6.992  -1.058
  617   1HD2  LEU  74          1HD2      LEU  74   0.722  -8.589  -4.286
  618   2HD2  LEU  74          2HD2      LEU  74   0.429  -8.937  -2.581
  619   3HD2  LEU  74          3HD2      LEU  74   1.793  -7.926  -3.054
  620    H    PHE  75           H        PHE  75  -3.898  -6.574  -5.636
  621    HA   PHE  75           HA       PHE  75  -5.750  -8.785  -5.030
  622   1HB   PHE  75          2HB       PHE  75  -6.040  -6.711  -3.667
  623   2HB   PHE  75          1HB       PHE  75  -6.372  -5.825  -5.148
  624    HD1  PHE  75           1HD      PHE  75  -7.587  -8.593  -3.012
  625    HD2  PHE  75           2HD      PHE  75  -8.530  -5.753  -6.038
  626    HE1  PHE  75           1HE      PHE  75  -9.971  -9.151  -2.785
  627    HE2  PHE  75           2HE      PHE  75 -10.915  -6.309  -5.820
  628    HZ   PHE  75           HZ       PHE  75 -11.641  -8.010  -4.191
  629    H    GLU  76           H        GLU  76  -5.130  -6.101  -7.238
  630    HA   GLU  76           HA       GLU  76  -5.155  -5.920  -9.471
  631   1HB   GLU  76          2HB       GLU  76  -4.838  -7.722 -10.807
  632   2HB   GLU  76          1HB       GLU  76  -4.547  -8.489  -9.258
  633   1HG   GLU  76          2HG       GLU  76  -6.873  -9.309  -9.264
  634   2HG   GLU  76          1HG       GLU  76  -7.091  -8.601 -10.864
  635    H    GLY  77           H        GLY  77  -7.960  -7.225  -7.895
  636   1HA   GLY  77          2HA       GLY  77  -9.677  -6.564 -10.146
  637   2HA   GLY  77          1HA       GLY  77 -10.174  -7.324  -8.644
  638    H    LYS  78           H        LYS  78  -8.519  -4.223  -9.309
  639    HA   LYS  78           HA       LYS  78 -10.801  -2.900  -8.002
  640   1HB   LYS  78          2HB       LYS  78  -9.310  -1.193  -7.143
  641   2HB   LYS  78          1HB       LYS  78  -8.741  -2.772  -6.628
  642   1HG   LYS  78          2HG       LYS  78  -6.749  -2.238  -7.409
  643   2HG   LYS  78          1HG       LYS  78  -7.426  -2.238  -9.036
  644   1HD   LYS  78          2HD       LYS  78  -6.462  -0.129  -8.847
  645   2HD   LYS  78          1HD       LYS  78  -8.164   0.168  -8.509
  646   1HE   LYS  78          2HE       LYS  78  -6.037  -0.211  -6.400
  647   2HE   LYS  78          1HE       LYS  78  -6.596   1.351  -6.981
  648   1HZ   LYS  78          1HZ       LYS  78  -8.819   0.808  -6.168
  649   2HZ   LYS  78          2HZ       LYS  78  -7.685   0.758  -4.916
  650   3HZ   LYS  78          3HZ       LYS  78  -8.263  -0.679  -5.592
  651    H    ASP  79           H        ASP  79 -11.504  -0.917  -8.888
  652    HA   ASP  79           HA       ASP  79 -11.032  -0.876 -11.769
  653   1HB   ASP  79          2HB       ASP  79 -13.161   0.332 -11.906
  654   2HB   ASP  79          1HB       ASP  79 -13.334  -1.170 -11.007
  655    H    VAL  80           H        VAL  80 -10.147   0.909  -9.047
  656    HA   VAL  80           HA       VAL  80 -10.057   3.504 -10.197
  657    HB   VAL  80           HB       VAL  80  -8.313   2.390  -7.987
  658   1HG1  VAL  80          1HG1      VAL  80  -7.991   4.726  -7.350
  659   2HG1  VAL  80          2HG1      VAL  80  -8.953   5.240  -8.736
  660   3HG1  VAL  80          3HG1      VAL  80  -7.407   4.429  -8.989
  661   1HG2  VAL  80          1HG2      VAL  80 -10.717   2.220  -7.494
  662   2HG2  VAL  80          2HG2      VAL  80 -10.888   3.948  -7.801
  663   3HG2  VAL  80          3HG2      VAL  80  -9.902   3.386  -6.450
  664    H    HIS  81           H        HIS  81  -8.957   3.967 -11.961
  665    HA   HIS  81           HA       HIS  81  -6.883   2.230 -12.910
  666   1HB   HIS  81          2HB       HIS  81  -8.066   4.761 -14.056
  667   2HB   HIS  81          1HB       HIS  81  -6.848   3.789 -14.874
  668    HD1  HIS  81           1HD      HIS  81 -10.429   4.167 -14.554
  669    HD2  HIS  81           2HD      HIS  81  -7.823   1.031 -15.356
  670    HE1  HIS  81           1HE      HIS  81 -11.836   2.375 -15.608
  671    HE2  HIS  81           2HE      HIS  81 -10.254   0.447 -16.003
  672    H    ILE  82           H        ILE  82  -4.739   2.584 -13.057
  673    HA   ILE  82           HA       ILE  82  -3.707   4.834 -11.503
  674    HB   ILE  82           HB       ILE  82  -2.115   2.515 -12.603
  675   1HG1  ILE  82          2HG1      ILE  82  -3.392   2.783  -9.875
  676   2HG1  ILE  82          1HG1      ILE  82  -3.954   1.709 -11.148
  677   1HG2  ILE  82          1HG2      ILE  82  -1.591   4.467 -10.362
  678   2HG2  ILE  82          2HG2      ILE  82  -0.801   4.453 -11.939
  679   3HG2  ILE  82          3HG2      ILE  82  -0.543   3.122 -10.810
  680   1HD1  ILE  82          1HD1      ILE  82  -2.665   0.512  -9.482
  681   2HD1  ILE  82          2HD1      ILE  82  -1.284   1.568  -9.776
  682   3HD1  ILE  82          3HD1      ILE  82  -1.853   0.487 -11.047
  683    H    GLU  83           H        GLU  83  -3.931   6.507 -13.007
  684    HA   GLU  83           HA       GLU  83  -1.876   6.475 -15.073
  685   1HB   GLU  83          2HB       GLU  83  -3.425   7.573 -16.693
  686   2HB   GLU  83          1HB       GLU  83  -3.828   5.902 -16.330
  687   1HG   GLU  83          2HG       GLU  83  -5.478   6.865 -14.630
  688   2HG   GLU  83          1HG       GLU  83  -5.235   8.400 -15.466
  689    H    GLY  84           H        GLY  84  -4.182   8.410 -13.190
  690   1HA   GLY  84          2HA       GLY  84  -2.732  10.062 -11.841
  691   2HA   GLY  84          1HA       GLY  84  -2.319  10.670 -13.435
  692    H    TYR  85           H        TYR  85  -3.918  11.579 -10.938
  693    HA   TYR  85           HA       TYR  85  -5.635  12.960 -10.454
  694   1HB   TYR  85          2HB       TYR  85  -4.432  14.193 -12.381
  695   2HB   TYR  85          1HB       TYR  85  -5.798  13.687 -13.370
  696    HD1  TYR  85           1HD      TYR  85  -4.658  15.923 -10.746
  697    HD2  TYR  85           2HD      TYR  85  -8.073  14.553 -12.878
  698    HE1  TYR  85           1HE      TYR  85  -5.940  17.845  -9.915
  699    HE2  TYR  85           2HE      TYR  85  -9.363  16.479 -12.057
  700    HH   TYR  85           HH       TYR  85  -9.308  18.039 -10.129
  701    H    THR  86           H        THR  86  -7.188  11.470  -9.864
  702    HA   THR  86           HA       THR  86  -9.298  11.085 -11.869
  703    HB   THR  86           HB       THR  86  -8.395   8.911  -9.968
  704    HG1  THR  86           1HG      THR  86  -7.590   9.633 -12.516
  705   1HG2  THR  86          1HG2      THR  86 -10.773   8.785 -10.535
  706   2HG2  THR  86          2HG2      THR  86  -9.880   7.484 -11.321
  707   3HG2  THR  86          3HG2      THR  86 -10.379   8.895 -12.252
  708    HA   PRO  87           HA       PRO  87 -11.558  12.351  -8.158
  709   1HB   PRO  87          2HB       PRO  87 -12.788  14.487  -9.292
  710   2HB   PRO  87          1HB       PRO  87 -11.169  14.576  -8.597
  711   1HG   PRO  87          2HG       PRO  87 -11.974  14.735 -11.393
  712   2HG   PRO  87          1HG       PRO  87 -10.406  15.105 -10.663
  713   1HD   PRO  87          2HD       PRO  87 -11.276  12.676 -12.045
  714   2HD   PRO  87          1HD       PRO  87  -9.633  13.187 -11.600
  715    H    GLU  88           H        GLU  88 -13.055  10.699  -8.098
  716    HA   GLU  88           HA       GLU  88 -14.917  10.379 -10.299
  717   1HB   GLU  88          2HB       GLU  88 -13.878   8.396  -9.206
  718   2HB   GLU  88          1HB       GLU  88 -14.748   8.795  -7.731
  719   1HG   GLU  88          2HG       GLU  88 -16.867   8.485  -8.866
  720   2HG   GLU  88          1HG       GLU  88 -16.028   8.151 -10.380
  721    H    ASP  89           H        ASP  89 -16.808  11.335 -10.372
  722    HA   ASP  89           HA       ASP  89 -18.183  12.000  -7.865
  723   1HB   ASP  89          2HB       ASP  89 -17.245  14.090  -8.586
  724   2HB   ASP  89          1HB       ASP  89 -17.781  13.822 -10.240
  725    H    LYS  90           H        LYS  90 -20.289  11.471  -7.840
  726    HA   LYS  90           HA       LYS  90 -21.551  10.713 -10.381
  727   1HB   LYS  90          2HB       LYS  90 -21.353   9.069  -7.862
  728   2HB   LYS  90          1HB       LYS  90 -22.549   8.743  -9.110
  729   1HG   LYS  90          2HG       LYS  90 -20.924   8.137 -10.676
  730   2HG   LYS  90          1HG       LYS  90 -19.627   8.897  -9.754
  731   1HD   LYS  90          2HD       LYS  90 -19.767   7.186  -8.059
  732   2HD   LYS  90          1HD       LYS  90 -21.178   6.473  -8.847
  733   1HE   LYS  90          2HE       LYS  90 -19.904   5.754 -10.696
  734   2HE   LYS  90          1HE       LYS  90 -18.532   6.761 -10.240
  735   1HZ   LYS  90          1HZ       LYS  90 -18.296   4.335  -9.756
  736   2HZ   LYS  90          2HZ       LYS  90 -19.494   4.504  -8.575
  737   3HZ   LYS  90          3HZ       LYS  90 -18.037   5.354  -8.433
  738    H    LYS  91           H        LYS  91 -21.781  12.970  -8.310
  739    HA   LYS  91           HA       LYS  91 -24.713  12.882  -8.260
  740   1HB   LYS  91          2HB       LYS  91 -22.876  13.549  -5.990
  741   2HB   LYS  91          1HB       LYS  91 -24.444  14.342  -6.101
  742   1HG   LYS  91          2HG       LYS  91 -25.529  12.133  -6.130
  743   2HG   LYS  91          1HG       LYS  91 -23.945  11.376  -5.949
  744   1HD   LYS  91          2HD       LYS  91 -23.640  12.364  -3.794
  745   2HD   LYS  91          1HD       LYS  91 -25.069  13.379  -3.999
  746   1HE   LYS  91          2HE       LYS  91 -25.532  11.486  -2.530
  747   2HE   LYS  91          1HE       LYS  91 -26.491  11.405  -4.005
  748   1HZ   LYS  91          1HZ       LYS  91 -24.019   9.859  -3.453
  749   2HZ   LYS  91          2HZ       LYS  91 -24.911   9.794  -4.886
  750   3HZ   LYS  91          3HZ       LYS  91 -25.595   9.251  -3.439
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1   1.335 -28.483   9.965
    2   2H    MET   1          2HT       MET   1   1.523 -27.421   8.664
    3   3H    MET   1          3HT       MET   1  -0.005 -27.660   9.341
    4    HA   MET   1           HA       MET   1   0.695 -26.664  11.404
    5   1HB   MET   1          2HB       MET   1   2.879 -25.617  11.608
    6   2HB   MET   1          1HB       MET   1   3.083 -27.321  11.230
    7   1HG   MET   1          2HG       MET   1   3.499 -26.732   8.884
    8   2HG   MET   1          1HG       MET   1   3.322 -25.029   9.293
    9   1HE   MET   1          1HE       MET   1   5.866 -26.146   7.774
   10   2HE   MET   1          2HE       MET   1   7.158 -25.309   8.632
   11   3HE   MET   1          3HE       MET   1   5.667 -24.452   8.239
   12    H    SER   2           H        SER   2   0.843 -24.264  11.683
   13    HA   SER   2           HA       SER   2   0.158 -22.171  11.161
   14   1HB   SER   2          2HB       SER   2   2.224 -22.326   9.722
   15   2HB   SER   2          1HB       SER   2   1.178 -22.765   8.374
   16    HG   SER   2           HG       SER   2   1.831 -20.372   9.051
   17    H    ARG   3           H        ARG   3  -0.828 -21.190   8.644
   18    HA   ARG   3           HA       ARG   3  -3.221 -22.824   8.193
   19   1HB   ARG   3          2HB       ARG   3  -4.654 -20.823   8.203
   20   2HB   ARG   3          1HB       ARG   3  -3.927 -21.110   9.774
   21   1HG   ARG   3          2HG       ARG   3  -2.710 -19.179   7.835
   22   2HG   ARG   3          1HG       ARG   3  -4.041 -18.705   8.888
   23   1HD   ARG   3          2HD       ARG   3  -2.692 -19.403  10.840
   24   2HD   ARG   3          1HD       ARG   3  -1.356 -19.772   9.753
   25    HE   ARG   3           HE       ARG   3  -1.263 -17.406   9.206
   26   1HH1  ARG   3          1HH1      ARG   3  -3.087 -18.288  12.067
   27   2HH1  ARG   3          2HH1      ARG   3  -2.919 -16.732  12.807
   28   1HH2  ARG   3          1HH2      ARG   3  -1.038 -15.342  10.182
   29   2HH2  ARG   3          2HH2      ARG   3  -1.757 -15.056  11.737
   30    H    THR   4           H        THR   4  -3.846 -22.932   6.113
   31    HA   THR   4           HA       THR   4  -2.195 -21.495   4.184
   32    HB   THR   4           HB       THR   4  -3.219 -23.169   2.552
   33    HG1  THR   4           1HG      THR   4  -4.220 -24.949   3.423
   34   1HG2  THR   4          1HG2      THR   4  -1.514 -24.205   4.822
   35   2HG2  THR   4          2HG2      THR   4  -0.930 -23.362   3.387
   36   3HG2  THR   4          3HG2      THR   4  -1.676 -24.952   3.233
   37    H    ILE   5           H        ILE   5  -3.009 -20.195   2.635
   38    HA   ILE   5           HA       ILE   5  -5.915 -19.715   2.618
   39    HB   ILE   5           HB       ILE   5  -5.472 -17.303   2.304
   40   1HG1  ILE   5          2HG1      ILE   5  -2.619 -17.939   3.086
   41   2HG1  ILE   5          1HG1      ILE   5  -3.129 -17.639   1.428
   42   1HG2  ILE   5          1HG2      ILE   5  -4.300 -18.456   4.833
   43   2HG2  ILE   5          2HG2      ILE   5  -6.007 -18.141   4.524
   44   3HG2  ILE   5          3HG2      ILE   5  -4.868 -16.798   4.627
   45   1HD1  ILE   5          1HD1      ILE   5  -2.118 -15.672   2.455
   46   2HD1  ILE   5          2HD1      ILE   5  -3.363 -15.687   3.705
   47   3HD1  ILE   5          3HD1      ILE   5  -3.805 -15.390   2.024
   48    H    PHE   6           H        PHE   6  -6.723 -18.863   0.604
   49    HA   PHE   6           HA       PHE   6  -5.140 -19.615  -1.701
   50   1HB   PHE   6          2HB       PHE   6  -7.944 -18.517  -1.432
   51   2HB   PHE   6          1HB       PHE   6  -7.180 -18.840  -2.983
   52    HD1  PHE   6           1HD      PHE   6  -8.908 -20.249  -0.152
   53    HD2  PHE   6           2HD      PHE   6  -6.545 -21.173  -3.566
   54    HE1  PHE   6           1HE      PHE   6  -9.666 -22.585  -0.037
   55    HE2  PHE   6           2HE      PHE   6  -7.299 -23.513  -3.456
   56    HZ   PHE   6           HZ       PHE   6  -8.861 -24.220  -1.692
   57    H    CYS   7           H        CYS   7  -3.480 -18.184  -1.868
   58    HA   CYS   7           HA       CYS   7  -3.776 -15.394  -1.444
   59   1HB   CYS   7          2HB       CYS   7  -1.615 -16.571  -1.197
   60   2HB   CYS   7          1HB       CYS   7  -1.590 -16.867  -2.931
   61    HG   CYS   7           HG       CYS   7  -1.938 -13.645  -2.085
   62    H    THR   8           H        THR   8  -4.559 -13.905  -2.742
   63    HA   THR   8           HA       THR   8  -5.841 -14.446  -5.140
   64    HB   THR   8           HB       THR   8  -5.638 -11.879  -5.447
   65    HG1  THR   8           1HG      THR   8  -4.441 -10.873  -4.014
   66   1HG2  THR   8          1HG2      THR   8  -6.875 -13.036  -2.941
   67   2HG2  THR   8          2HG2      THR   8  -7.626 -12.979  -4.536
   68   3HG2  THR   8          3HG2      THR   8  -7.288 -11.482  -3.668
   69    H    TYR   9           H        TYR   9  -2.609 -13.127  -4.594
   70    HA   TYR   9           HA       TYR   9  -2.095 -12.555  -7.329
   71   1HB   TYR   9          2HB       TYR   9  -0.991 -11.348  -5.499
   72   2HB   TYR   9          1HB       TYR   9  -0.196 -12.832  -4.989
   73    HD1  TYR   9           1HD      TYR   9   1.964 -13.220  -5.704
   74    HD2  TYR   9           2HD      TYR   9  -0.526 -10.653  -8.005
   75    HE1  TYR   9           1HE      TYR   9   3.862 -12.712  -7.176
   76    HE2  TYR   9           2HE      TYR   9   1.369 -10.139  -9.486
   77    HH   TYR   9           HH       TYR   9   4.311 -11.909  -9.386
   78    H    LEU  10           H        LEU  10  -1.581 -15.364  -5.301
   79    HA   LEU  10           HA       LEU  10   0.173 -16.570  -7.298
   80   1HB   LEU  10          2HB       LEU  10  -0.662 -17.583  -4.580
   81   2HB   LEU  10          1HB       LEU  10   0.499 -18.358  -5.641
   82    HG   LEU  10           HG       LEU  10   0.838 -15.628  -4.380
   83   1HD1  LEU  10          1HD1      LEU  10   2.156 -18.273  -3.764
   84   2HD1  LEU  10          2HD1      LEU  10   0.984 -17.434  -2.746
   85   3HD1  LEU  10          3HD1      LEU  10   2.569 -16.719  -3.040
   86   1HD2  LEU  10          1HD2      LEU  10   1.949 -15.789  -6.542
   87   2HD2  LEU  10          2HD2      LEU  10   2.723 -17.293  -6.048
   88   3HD2  LEU  10          3HD2      LEU  10   3.133 -15.782  -5.236
   89    H    GLN  11           H        GLN  11  -3.060 -16.780  -6.085
   90    HA   GLN  11           HA       GLN  11  -4.908 -17.879  -6.785
   91   1HB   GLN  11          2HB       GLN  11  -3.130 -18.479  -9.139
   92   2HB   GLN  11          1HB       GLN  11  -4.780 -19.076  -9.045
   93   1HG   GLN  11          2HG       GLN  11  -4.000 -16.174  -8.915
   94   2HG   GLN  11          1HG       GLN  11  -4.537 -17.013 -10.369
   95   1HE2  GLN  11          1HE2      GLN  11  -5.480 -15.645  -7.339
   96   2HE2  GLN  11          2HE2      GLN  11  -7.189 -15.781  -7.573
   97    H    ARG  12           H        ARG  12  -2.592 -19.232  -5.288
   98    HA   ARG  12           HA       ARG  12  -3.761 -21.912  -5.403
   99   1HB   ARG  12          2HB       ARG  12  -0.775 -21.416  -5.372
  100   2HB   ARG  12          1HB       ARG  12  -1.559 -22.983  -5.255
  101   1HG   ARG  12          2HG       ARG  12  -2.592 -22.380  -7.543
  102   2HG   ARG  12          1HG       ARG  12  -1.308 -21.172  -7.616
  103   1HD   ARG  12          2HD       ARG  12  -0.515 -23.147  -8.704
  104   2HD   ARG  12          1HD       ARG  12   0.333 -23.000  -7.164
  105    HE   ARG  12           HE       ARG  12  -2.028 -24.623  -6.999
  106   1HH1  ARG  12          1HH1      ARG  12   1.381 -24.625  -7.797
  107   2HH1  ARG  12          2HH1      ARG  12   1.563 -26.331  -7.552
  108   1HH2  ARG  12          1HH2      ARG  12  -1.795 -26.862  -6.686
  109   2HH2  ARG  12          2HH2      ARG  12  -0.245 -27.609  -6.923
  110    H    ASP  13           H        ASP  13  -2.599 -23.251  -3.524
  111    HA   ASP  13           HA       ASP  13  -3.312 -21.992  -1.093
  112   1HB   ASP  13          2HB       ASP  13  -1.793 -24.549  -1.638
  113   2HB   ASP  13          1HB       ASP  13  -2.274 -24.022  -0.032
  114    H    ALA  14           H        ALA  14  -2.197 -20.493  -0.105
  115    HA   ALA  14           HA       ALA  14   0.737 -20.764   0.035
  116   1HB   ALA  14          1HB       ALA  14   0.906 -18.338   0.131
  117   2HB   ALA  14          2HB       ALA  14  -0.846 -18.194   0.007
  118   3HB   ALA  14          3HB       ALA  14   0.084 -18.834  -1.349
  119    H    GLU  15           H        GLU  15   1.444 -19.227   2.065
  120    HA   GLU  15           HA       GLU  15  -0.163 -20.294   4.262
  121   1HB   GLU  15          2HB       GLU  15   1.742 -19.836   5.700
  122   2HB   GLU  15          1HB       GLU  15   2.237 -20.787   4.309
  123   1HG   GLU  15          2HG       GLU  15   3.102 -18.748   3.251
  124   2HG   GLU  15          1HG       GLU  15   2.660 -17.837   4.696
  125    H    GLY  16           H        GLY  16  -1.126 -19.043   5.784
  126   1HA   GLY  16          2HA       GLY  16  -1.930 -16.439   5.058
  127   2HA   GLY  16          1HA       GLY  16  -2.177 -17.188   6.630
  128    H    GLN  17           H        GLN  17  -1.311 -14.441   5.725
  129    HA   GLN  17           HA       GLN  17   1.399 -14.127   6.494
  130   1HB   GLN  17          2HB       GLN  17  -0.734 -12.465   5.513
  131   2HB   GLN  17          1HB       GLN  17   0.073 -11.670   6.857
  132   1HG   GLN  17          2HG       GLN  17   1.540 -12.813   4.499
  133   2HG   GLN  17          1HG       GLN  17   0.970 -11.150   4.572
  134   1HE2  GLN  17          1HE2      GLN  17   2.980 -10.256   4.495
  135   2HE2  GLN  17          2HE2      GLN  17   4.115 -10.348   5.796
  136    H    ASP  18           H        ASP  18   1.394 -11.966   8.183
  137    HA   ASP  18           HA       ASP  18   1.326 -13.363  10.676
  138   1HB   ASP  18          2HB       ASP  18   2.939 -11.460   9.682
  139   2HB   ASP  18          1HB       ASP  18   1.843 -10.439  10.604
  140    H    PHE  19           H        PHE  19   0.753 -11.454  12.522
  141    HA   PHE  19           HA       PHE  19  -2.161 -11.315  12.306
  142   1HB   PHE  19          2HB       PHE  19  -0.311 -11.015  14.679
  143   2HB   PHE  19          1HB       PHE  19  -2.064 -10.894  14.755
  144    HD1  PHE  19           1HD      PHE  19   0.783 -13.126  14.526
  145    HD2  PHE  19           2HD      PHE  19  -3.462 -12.872  14.349
  146    HE1  PHE  19           1HE      PHE  19   0.628 -15.564  14.820
  147    HE2  PHE  19           2HE      PHE  19  -3.625 -15.309  14.644
  148    HZ   PHE  19           HZ       PHE  19  -1.578 -16.659  14.877
  149    H    GLN  20           H        GLN  20  -2.905  -9.314  13.873
  150    HA   GLN  20           HA       GLN  20  -2.222  -7.042  12.250
  151   1HB   GLN  20          2HB       GLN  20  -4.094  -7.236  14.614
  152   2HB   GLN  20          1HB       GLN  20  -3.936  -5.847  13.549
  153   1HG   GLN  20          2HG       GLN  20  -5.102  -8.538  12.970
  154   2HG   GLN  20          1HG       GLN  20  -5.830  -6.944  12.770
  155   1HE2  GLN  20          1HE2      GLN  20  -5.130  -5.640  11.013
  156   2HE2  GLN  20          2HE2      GLN  20  -4.430  -6.362   9.609
  157    H    LEU  21           H        LEU  21  -0.082  -6.679  12.734
  158    HA   LEU  21           HA       LEU  21   0.668  -5.991  15.433
  159   1HB   LEU  21          2HB       LEU  21   2.836  -5.288  14.045
  160   2HB   LEU  21          1HB       LEU  21   2.510  -6.931  14.550
  161    HG   LEU  21           HG       LEU  21   1.550  -7.380  12.285
  162   1HD1  LEU  21          1HD1      LEU  21   0.977  -5.095  11.657
  163   2HD1  LEU  21          2HD1      LEU  21   2.052  -5.834  10.469
  164   3HD1  LEU  21          3HD1      LEU  21   2.687  -4.666  11.628
  165   1HD2  LEU  21          1HD2      LEU  21   4.405  -6.419  12.377
  166   2HD2  LEU  21          2HD2      LEU  21   3.720  -7.490  11.154
  167   3HD2  LEU  21          3HD2      LEU  21   3.827  -8.023  12.830
  168    H    TYR  22           H        TYR  22  -0.572  -4.361  12.708
  169    HA   TYR  22           HA       TYR  22  -0.450  -1.864  14.122
  170   1HB   TYR  22          2HB       TYR  22   1.709  -1.783  12.995
  171   2HB   TYR  22          1HB       TYR  22   0.938  -2.084  11.443
  172    HD1  TYR  22           1HD      TYR  22   1.213   0.371  14.204
  173    HD2  TYR  22           2HD      TYR  22   0.016  -0.315  10.181
  174    HE1  TYR  22           1HE      TYR  22   0.910   2.793  13.887
  175    HE2  TYR  22           2HE      TYR  22  -0.283   2.103   9.849
  176    HH   TYR  22           HH       TYR  22   0.870   4.423  12.042
  177    HA   PRO  23           HA       PRO  23  -3.276  -1.247  10.288
  178   1HB   PRO  23          2HB       PRO  23  -3.509  -3.841   8.962
  179   2HB   PRO  23          1HB       PRO  23  -3.087  -2.270   8.274
  180   1HG   PRO  23          2HG       PRO  23  -1.281  -4.248   8.501
  181   2HG   PRO  23          1HG       PRO  23  -0.835  -2.543   8.704
  182   1HD   PRO  23          2HD       PRO  23  -1.398  -4.611  10.808
  183   2HD   PRO  23          1HD       PRO  23  -0.063  -3.443  10.716
  184    H    GLY  24           H        GLY  24  -5.561  -1.694   9.939
  185   1HA   GLY  24          2HA       GLY  24  -6.622  -3.370  12.107
  186   2HA   GLY  24          1HA       GLY  24  -7.465  -2.029  11.342
  187    H    GLU  25           H        GLU  25  -9.218  -2.840  10.431
  188    HA   GLU  25           HA       GLU  25  -9.597  -5.507   9.680
  189   1HB   GLU  25          2HB       GLU  25 -11.099  -3.004   8.910
  190   2HB   GLU  25          1HB       GLU  25 -11.631  -4.619   8.469
  191   1HG   GLU  25          2HG       GLU  25 -12.835  -3.825  10.407
  192   2HG   GLU  25          1HG       GLU  25 -11.823  -5.202  10.836
  193    H    LEU  26           H        LEU  26  -8.854  -2.666   7.712
  194    HA   LEU  26           HA       LEU  26  -9.084  -3.931   5.211
  195   1HB   LEU  26          2HB       LEU  26  -9.107  -1.498   5.492
  196   2HB   LEU  26          1HB       LEU  26  -7.433  -1.535   6.012
  197    HG   LEU  26           HG       LEU  26  -6.768  -2.341   3.776
  198   1HD1  LEU  26          1HD1      LEU  26  -8.400  -2.243   1.940
  199   2HD1  LEU  26          2HD1      LEU  26  -9.682  -1.937   3.111
  200   3HD1  LEU  26          3HD1      LEU  26  -8.815  -3.471   3.135
  201   1HD2  LEU  26          1HD2      LEU  26  -6.718   0.043   4.281
  202   2HD2  LEU  26          2HD2      LEU  26  -8.397   0.199   3.764
  203   3HD2  LEU  26          3HD2      LEU  26  -7.151  -0.235   2.594
  204    H    GLY  27           H        GLY  27  -6.265  -3.340   7.287
  205   1HA   GLY  27          2HA       GLY  27  -4.375  -4.493   5.510
  206   2HA   GLY  27          1HA       GLY  27  -4.134  -4.207   7.225
  207    H    LYS  28           H        LYS  28  -6.376  -5.790   8.084
  208    HA   LYS  28           HA       LYS  28  -5.198  -8.333   8.275
  209   1HB   LYS  28          2HB       LYS  28  -6.834  -7.446   9.905
  210   2HB   LYS  28          1HB       LYS  28  -8.093  -7.553   8.683
  211   1HG   LYS  28          2HG       LYS  28  -7.839  -9.973   8.609
  212   2HG   LYS  28          1HG       LYS  28  -6.546  -9.880   9.803
  213   1HD   LYS  28          2HD       LYS  28  -8.656 -10.518  10.852
  214   2HD   LYS  28          1HD       LYS  28  -8.111  -8.942  11.432
  215   1HE   LYS  28          2HE       LYS  28  -9.658  -7.833   9.906
  216   2HE   LYS  28          1HE       LYS  28 -10.183  -9.397   9.285
  217   1HZ   LYS  28          1HZ       LYS  28 -10.504  -8.453  12.081
  218   2HZ   LYS  28          2HZ       LYS  28 -11.024  -9.945  11.478
  219   3HZ   LYS  28          3HZ       LYS  28 -11.731  -8.518  10.917
  220    H    ARG  29           H        ARG  29  -7.801  -7.063   6.236
  221    HA   ARG  29           HA       ARG  29  -8.552  -9.399   4.933
  222   1HB   ARG  29          2HB       ARG  29  -9.503  -6.983   4.728
  223   2HB   ARG  29          1HB       ARG  29  -8.307  -6.792   3.453
  224   1HG   ARG  29          2HG       ARG  29  -9.327  -8.926   2.453
  225   2HG   ARG  29          1HG       ARG  29 -10.687  -8.605   3.534
  226   1HD   ARG  29          2HD       ARG  29 -11.392  -7.472   1.684
  227   2HD   ARG  29          1HD       ARG  29 -10.482  -6.189   2.482
  228    HE   ARG  29           HE       ARG  29  -8.944  -7.793   0.627
  229   1HH1  ARG  29          1HH1      ARG  29 -10.956  -4.931   0.998
  230   2HH1  ARG  29          2HH1      ARG  29 -10.351  -4.178  -0.442
  231   1HH2  ARG  29          1HH2      ARG  29  -8.177  -6.807  -1.249
  232   2HH2  ARG  29          2HH2      ARG  29  -8.768  -5.243  -1.719
  233    H    ILE  30           H        ILE  30  -5.979  -7.094   4.140
  234    HA   ILE  30           HA       ILE  30  -5.044  -8.350   1.813
  235    HB   ILE  30           HB       ILE  30  -3.359  -6.796   3.785
  236   1HG1  ILE  30          2HG1      ILE  30  -4.995  -5.760   1.456
  237   2HG1  ILE  30          1HG1      ILE  30  -5.418  -5.563   3.150
  238   1HG2  ILE  30          1HG2      ILE  30  -3.065  -7.254   0.814
  239   2HG2  ILE  30          2HG2      ILE  30  -2.069  -7.970   2.082
  240   3HG2  ILE  30          3HG2      ILE  30  -2.025  -6.229   1.802
  241   1HD1  ILE  30          1HD1      ILE  30  -3.399  -4.238   3.496
  242   2HD1  ILE  30          2HD1      ILE  30  -4.431  -3.545   2.246
  243   3HD1  ILE  30          3HD1      ILE  30  -2.980  -4.438   1.795
  244    H    TYR  31           H        TYR  31  -4.231  -8.854   5.218
  245    HA   TYR  31           HA       TYR  31  -2.146 -10.734   4.652
  246   1HB   TYR  31          2HB       TYR  31  -3.628 -10.128   7.217
  247   2HB   TYR  31          1HB       TYR  31  -2.246 -11.213   7.102
  248    HD1  TYR  31           1HD      TYR  31  -2.666  -8.502   8.692
  249    HD2  TYR  31           2HD      TYR  31  -0.671  -9.547   5.080
  250    HE1  TYR  31           1HE      TYR  31  -1.147  -6.584   8.975
  251    HE2  TYR  31           2HE      TYR  31   0.845  -7.640   5.354
  252    HH   TYR  31           HH       TYR  31   0.831  -5.428   6.508
  253    H    ASN  32           H        ASN  32  -5.487 -10.940   4.522
  254    HA   ASN  32           HA       ASN  32  -5.550 -13.818   5.052
  255   1HB   ASN  32          2HB       ASN  32  -7.684 -11.763   4.505
  256   2HB   ASN  32          1HB       ASN  32  -8.036 -13.479   4.365
  257   1HD2  ASN  32          1HD2      ASN  32  -5.900 -11.965   6.718
  258   2HD2  ASN  32          2HD2      ASN  32  -6.850 -12.374   8.102
  259    H    GLU  33           H        GLU  33  -5.351 -11.592   2.432
  260    HA   GLU  33           HA       GLU  33  -6.071 -13.687   0.500
  261   1HB   GLU  33          2HB       GLU  33  -5.784 -10.711   0.081
  262   2HB   GLU  33          1HB       GLU  33  -6.364 -11.867  -1.106
  263   1HG   GLU  33          2HG       GLU  33  -8.311 -12.329   0.280
  264   2HG   GLU  33          1HG       GLU  33  -7.712 -11.212   1.502
  265    H    ILE  34           H        ILE  34  -3.441 -11.751   1.649
  266    HA   ILE  34           HA       ILE  34  -1.800 -12.626  -0.627
  267    HB   ILE  34           HB       ILE  34  -1.651 -10.142   1.064
  268   1HG1  ILE  34          2HG1      ILE  34  -3.135 -10.092  -0.881
  269   2HG1  ILE  34          1HG1      ILE  34  -1.754  -9.026  -1.122
  270   1HG2  ILE  34          1HG2      ILE  34   0.614 -11.018   0.889
  271   2HG2  ILE  34          2HG2      ILE  34   0.424  -9.552  -0.074
  272   3HG2  ILE  34          3HG2      ILE  34   0.443 -11.129  -0.861
  273   1HD1  ILE  34          1HD1      ILE  34  -2.162 -11.758  -2.316
  274   2HD1  ILE  34          2HD1      ILE  34  -0.683 -10.813  -2.470
  275   3HD1  ILE  34          3HD1      ILE  34  -2.191 -10.210  -3.157
  276    H    SER  35           H        SER  35  -0.180 -13.933  -0.274
  277    HA   SER  35           HA       SER  35   0.483 -14.834   2.369
  278   1HB   SER  35          2HB       SER  35   0.447 -16.374   0.426
  279   2HB   SER  35          1HB       SER  35   1.773 -15.467  -0.302
  280    HG   SER  35           HG       SER  35   2.955 -16.879   0.743
  281    H    LYS  36           H        LYS  36   2.798 -14.995   3.001
  282    HA   LYS  36           HA       LYS  36   3.988 -12.471   3.266
  283   1HB   LYS  36          2HB       LYS  36   5.367 -15.149   3.527
  284   2HB   LYS  36          1HB       LYS  36   5.831 -13.639   4.299
  285   1HG   LYS  36          2HG       LYS  36   3.846 -13.679   5.670
  286   2HG   LYS  36          1HG       LYS  36   3.259 -15.113   4.827
  287   1HD   LYS  36          2HD       LYS  36   5.272 -16.332   5.616
  288   2HD   LYS  36          1HD       LYS  36   5.715 -14.904   6.554
  289   1HE   LYS  36          2HE       LYS  36   3.776 -15.093   7.915
  290   2HE   LYS  36          1HE       LYS  36   3.077 -16.321   6.860
  291   1HZ   LYS  36          1HZ       LYS  36   4.049 -17.246   8.903
  292   2HZ   LYS  36          2HZ       LYS  36   5.572 -16.679   8.429
  293   3HZ   LYS  36          3HZ       LYS  36   4.782 -17.856   7.500
  294    H    ASP  37           H        ASP  37   4.390 -15.045   0.952
  295    HA   ASP  37           HA       ASP  37   6.782 -14.307  -0.283
  296   1HB   ASP  37          2HB       ASP  37   4.354 -15.517  -1.630
  297   2HB   ASP  37          1HB       ASP  37   6.016 -15.597  -2.200
  298    H    ALA  38           H        ALA  38   3.485 -13.625  -1.414
  299    HA   ALA  38           HA       ALA  38   4.269 -11.847  -3.454
  300   1HB   ALA  38          1HB       ALA  38   1.607 -12.139  -2.063
  301   2HB   ALA  38          2HB       ALA  38   2.134 -13.005  -3.503
  302   3HB   ALA  38          3HB       ALA  38   1.881 -11.263  -3.568
  303    H    TRP  39           H        TRP  39   3.339 -11.369  -0.095
  304    HA   TRP  39           HA       TRP  39   3.059  -8.572  -0.166
  305   1HB   TRP  39          2HB       TRP  39   2.241 -10.042   1.662
  306   2HB   TRP  39          1HB       TRP  39   3.905 -10.316   2.156
  307    HD1  TRP  39           HD       TRP  39   4.665  -8.823   4.080
  308    HE1  TRP  39           1HE      TRP  39   3.964  -6.544   5.045
  309    HE3  TRP  39           3HE      TRP  39   1.070  -7.573   0.669
  310    HZ2  TRP  39           2HZ      TRP  39   2.137  -4.487   4.433
  311    HZ3  TRP  39           3HZ      TRP  39  -0.105  -5.431   0.931
  312    HH2  TRP  39           HH       TRP  39   0.417  -3.920   2.777
  313    H    ALA  40           H        ALA  40   5.844 -10.643   0.614
  314    HA   ALA  40           HA       ALA  40   7.596  -8.457   1.151
  315   1HB   ALA  40          1HB       ALA  40   9.377 -10.126   1.129
  316   2HB   ALA  40          2HB       ALA  40   8.267 -11.314   0.443
  317   3HB   ALA  40          3HB       ALA  40   7.998 -10.689   2.071
  318    H    GLN  41           H        GLN  41   6.911 -10.441  -1.675
  319    HA   GLN  41           HA       GLN  41   9.020  -9.535  -3.295
  320   1HB   GLN  41          2HB       GLN  41   7.504 -11.554  -3.648
  321   2HB   GLN  41          1HB       GLN  41   6.320 -10.433  -4.296
  322   1HG   GLN  41          2HG       GLN  41   9.090 -10.565  -5.412
  323   2HG   GLN  41          1HG       GLN  41   7.846 -11.702  -5.924
  324   1HE2  GLN  41          1HE2      GLN  41   5.695  -9.785  -5.745
  325   2HE2  GLN  41          2HE2      GLN  41   5.882  -8.700  -7.073
  326    H    TRP  42           H        TRP  42   5.672  -8.373  -2.940
  327    HA   TRP  42           HA       TRP  42   5.852  -6.416  -4.967
  328   1HB   TRP  42          2HB       TRP  42   3.683  -7.141  -4.214
  329   2HB   TRP  42          1HB       TRP  42   4.019  -6.606  -2.572
  330    HD1  TRP  42           HD       TRP  42   2.432  -4.646  -2.143
  331    HE1  TRP  42           1HE      TRP  42   1.809  -2.471  -3.364
  332    HE3  TRP  42           3HE      TRP  42   5.052  -5.355  -6.483
  333    HZ2  TRP  42           2HZ      TRP  42   2.349  -1.217  -5.832
  334    HZ3  TRP  42           3HZ      TRP  42   4.945  -3.619  -8.220
  335    HH2  TRP  42           HH       TRP  42   3.618  -1.593  -7.899
  336    H    GLN  43           H        GLN  43   6.405  -6.237  -1.459
  337    HA   GLN  43           HA       GLN  43   6.897  -3.458  -1.374
  338   1HB   GLN  43          2HB       GLN  43   7.937  -5.662   0.407
  339   2HB   GLN  43          1HB       GLN  43   8.103  -3.946   0.751
  340   1HG   GLN  43          2HG       GLN  43   5.681  -3.718   0.836
  341   2HG   GLN  43          1HG       GLN  43   5.505  -5.432   0.455
  342   1HE2  GLN  43          1HE2      GLN  43   6.102  -6.959   1.967
  343   2HE2  GLN  43          2HE2      GLN  43   6.243  -6.582   3.649
  344    H    HIS  44           H        HIS  44   9.047  -6.225  -1.867
  345    HA   HIS  44           HA       HIS  44  11.476  -4.820  -1.951
  346   1HB   HIS  44          2HB       HIS  44  11.317  -7.282  -1.813
  347   2HB   HIS  44          1HB       HIS  44  10.693  -7.333  -3.457
  348    HD1  HIS  44           1HD      HIS  44  13.804  -7.354  -1.532
  349    HD2  HIS  44           2HD      HIS  44  12.670  -6.566  -5.454
  350    HE1  HIS  44           1HE      HIS  44  15.918  -7.476  -2.885
  351    HE2  HIS  44           2HE      HIS  44  15.181  -7.155  -5.271
  352    H    LYS  45           H        LYS  45   9.193  -5.670  -4.526
  353    HA   LYS  45           HA       LYS  45  10.656  -4.515  -6.643
  354   1HB   LYS  45          2HB       LYS  45   8.874  -6.136  -7.034
  355   2HB   LYS  45          1HB       LYS  45   7.687  -5.026  -6.369
  356   1HG   LYS  45          2HG       LYS  45   7.516  -4.994  -8.751
  357   2HG   LYS  45          1HG       LYS  45   8.189  -3.454  -8.218
  358   1HD   LYS  45          2HD       LYS  45   9.591  -3.927  -9.969
  359   2HD   LYS  45          1HD       LYS  45  10.479  -4.680  -8.648
  360   1HE   LYS  45          2HE       LYS  45   8.601  -6.106 -10.529
  361   2HE   LYS  45          1HE       LYS  45  10.356  -6.115 -10.644
  362   1HZ   LYS  45          1HZ       LYS  45  10.422  -7.176  -8.446
  363   2HZ   LYS  45          2HZ       LYS  45   9.597  -8.108  -9.587
  364   3HZ   LYS  45          3HZ       LYS  45   8.732  -7.241  -8.430
  365    H    GLN  46           H        GLN  46   7.992  -3.271  -4.652
  366    HA   GLN  46           HA       GLN  46   7.734  -0.811  -5.971
  367   1HB   GLN  46          2HB       GLN  46   5.992  -1.695  -4.506
  368   2HB   GLN  46          1HB       GLN  46   7.058  -1.530  -3.116
  369   1HG   GLN  46          2HG       GLN  46   5.391   0.263  -3.249
  370   2HG   GLN  46          1HG       GLN  46   7.044   0.866  -3.330
  371   1HE2  GLN  46          1HE2      GLN  46   6.479   2.759  -4.334
  372   2HE2  GLN  46          2HE2      GLN  46   5.938   2.832  -5.973
  373    H    THR  47           H        THR  47   9.682  -1.748  -3.154
  374    HA   THR  47           HA       THR  47  10.647   0.802  -2.513
  375    HB   THR  47           HB       THR  47  12.094  -1.840  -2.205
  376    HG1  THR  47           1HG      THR  47  10.183  -1.968  -1.084
  377   1HG2  THR  47          1HG2      THR  47  13.326  -0.728  -0.418
  378   2HG2  THR  47          2HG2      THR  47  12.455   0.774  -0.730
  379   3HG2  THR  47          3HG2      THR  47  13.562   0.127  -1.942
  380    H    MET  48           H        MET  48  11.847  -1.610  -4.807
  381    HA   MET  48           HA       MET  48  14.137  -0.261  -5.678
  382   1HB   MET  48          2HB       MET  48  13.693  -2.563  -6.313
  383   2HB   MET  48          1HB       MET  48  12.252  -2.077  -7.192
  384   1HG   MET  48          2HG       MET  48  14.044  -2.539  -8.729
  385   2HG   MET  48          1HG       MET  48  13.654  -0.820  -8.767
  386   1HE   MET  48          1HE       MET  48  16.283  -2.039  -9.998
  387   2HE   MET  48          2HE       MET  48  17.520  -0.916  -9.437
  388   3HE   MET  48          3HE       MET  48  15.966  -0.305 -10.013
  389    H    LEU  49           H        LEU  49  10.787  -0.117  -6.837
  390    HA   LEU  49           HA       LEU  49  11.230   1.762  -8.887
  391   1HB   LEU  49          2HB       LEU  49   8.833   0.769  -7.420
  392   2HB   LEU  49          1HB       LEU  49   8.672   2.245  -8.352
  393    HG   LEU  49           HG       LEU  49   9.344   1.060 -10.385
  394   1HD1  LEU  49          1HD1      LEU  49  10.826  -0.605  -9.429
  395   2HD1  LEU  49          2HD1      LEU  49   9.568  -1.375 -10.397
  396   3HD1  LEU  49          3HD1      LEU  49   9.458  -1.389  -8.636
  397   1HD2  LEU  49          1HD2      LEU  49   6.977   1.166  -9.740
  398   2HD2  LEU  49          2HD2      LEU  49   7.147  -0.382  -8.913
  399   3HD2  LEU  49          3HD2      LEU  49   7.357  -0.287 -10.663
  400    H    ILE  50           H        ILE  50  10.460   2.142  -5.462
  401    HA   ILE  50           HA       ILE  50   9.996   4.914  -5.464
  402    HB   ILE  50           HB       ILE  50  11.187   3.206  -3.268
  403   1HG1  ILE  50          2HG1      ILE  50   8.349   4.163  -3.709
  404   2HG1  ILE  50          1HG1      ILE  50   8.926   2.527  -3.999
  405   1HG2  ILE  50          1HG2      ILE  50  10.038   5.991  -3.140
  406   2HG2  ILE  50          2HG2      ILE  50  11.725   5.539  -2.893
  407   3HG2  ILE  50          3HG2      ILE  50  10.494   5.011  -1.745
  408   1HD1  ILE  50          1HD1      ILE  50   8.880   3.916  -1.330
  409   2HD1  ILE  50          2HD1      ILE  50   9.410   2.261  -1.637
  410   3HD1  ILE  50          3HD1      ILE  50   7.723   2.708  -1.891
  411    H    ASN  51           H        ASN  51  12.957   3.029  -5.346
  412    HA   ASN  51           HA       ASN  51  14.720   5.214  -4.891
  413   1HB   ASN  51          2HB       ASN  51  15.230   2.513  -6.159
  414   2HB   ASN  51          1HB       ASN  51  16.485   3.660  -5.709
  415   1HD2  ASN  51          1HD2      ASN  51  15.995   0.933  -4.794
  416   2HD2  ASN  51          2HD2      ASN  51  15.836   1.032  -3.076
  417    H    GLU  52           H        GLU  52  13.785   3.428  -7.808
  418    HA   GLU  52           HA       GLU  52  15.370   4.850  -9.628
  419   1HB   GLU  52          2HB       GLU  52  12.746   3.433 -10.117
  420   2HB   GLU  52          1HB       GLU  52  13.890   3.913 -11.359
  421   1HG   GLU  52          2HG       GLU  52  15.570   2.419 -10.322
  422   2HG   GLU  52          1HG       GLU  52  14.330   1.880  -9.186
  423    H    LYS  53           H        LYS  53  12.003   5.317  -8.636
  424    HA   LYS  53           HA       LYS  53  11.650   7.560 -10.424
  425   1HB   LYS  53          2HB       LYS  53   9.854   6.511  -8.232
  426   2HB   LYS  53          1HB       LYS  53   9.402   7.687  -9.454
  427   1HG   LYS  53          2HG       LYS  53   9.616   6.035 -11.193
  428   2HG   LYS  53          1HG       LYS  53  10.228   4.851 -10.035
  429   1HD   LYS  53          2HD       LYS  53   8.105   4.930  -8.826
  430   2HD   LYS  53          1HD       LYS  53   7.496   6.124  -9.971
  431   1HE   LYS  53          2HE       LYS  53   7.786   4.472 -11.787
  432   2HE   LYS  53          1HE       LYS  53   8.289   3.283 -10.587
  433   1HZ   LYS  53          1HZ       LYS  53   5.951   3.041 -11.157
  434   2HZ   LYS  53          2HZ       LYS  53   5.640   4.629 -10.669
  435   3HZ   LYS  53          3HZ       LYS  53   6.124   3.474  -9.533
  436    H    LYS  54           H        LYS  54  12.800   7.057  -7.277
  437    HA   LYS  54           HA       LYS  54  13.335   8.372  -5.518
  438   1HB   LYS  54          2HB       LYS  54  14.661   9.423  -7.419
  439   2HB   LYS  54          1HB       LYS  54  13.403  10.649  -7.497
  440   1HG   LYS  54          2HG       LYS  54  15.278  11.457  -6.209
  441   2HG   LYS  54          1HG       LYS  54  13.867  11.258  -5.168
  442   1HD   LYS  54          2HD       LYS  54  14.741   9.171  -4.316
  443   2HD   LYS  54          1HD       LYS  54  16.105   9.252  -5.432
  444   1HE   LYS  54          2HE       LYS  54  16.777   9.952  -3.201
  445   2HE   LYS  54          1HE       LYS  54  16.873  11.300  -4.331
  446   1HZ   LYS  54          1HZ       LYS  54  14.688  10.811  -2.383
  447   2HZ   LYS  54          2HZ       LYS  54  14.727  12.079  -3.497
  448   3HZ   LYS  54          3HZ       LYS  54  15.879  12.003  -2.265
  449    H    LEU  55           H        LEU  55  10.912   7.889  -5.167
  450    HA   LEU  55           HA       LEU  55   9.065  10.036  -5.580
  451   1HB   LEU  55          2HB       LEU  55   8.770   7.534  -3.919
  452   2HB   LEU  55          1HB       LEU  55   7.469   8.610  -4.390
  453    HG   LEU  55           HG       LEU  55   9.134   6.937  -6.273
  454   1HD1  LEU  55          1HD1      LEU  55   7.606   5.592  -4.947
  455   2HD1  LEU  55          2HD1      LEU  55   7.067   5.682  -6.623
  456   3HD1  LEU  55          3HD1      LEU  55   6.268   6.655  -5.389
  457   1HD2  LEU  55          1HD2      LEU  55   7.537   7.662  -7.983
  458   2HD2  LEU  55          2HD2      LEU  55   8.429   9.026  -7.309
  459   3HD2  LEU  55          3HD2      LEU  55   6.764   8.724  -6.807
  460    H    ASN  56           H        ASN  56   8.250  11.479  -4.167
  461    HA   ASN  56           HA       ASN  56   9.566  11.699  -1.561
  462   1HB   ASN  56          2HB       ASN  56   9.713  13.703  -2.877
  463   2HB   ASN  56          1HB       ASN  56   7.984  13.680  -3.206
  464   1HD2  ASN  56          1HD2      ASN  56  10.427  14.221  -0.771
  465   2HD2  ASN  56          2HD2      ASN  56   9.429  15.141   0.299
  466    H    MET  57           H        MET  57   8.532  10.906   0.129
  467    HA   MET  57           HA       MET  57   5.703  10.266  -0.147
  468   1HB   MET  57          2HB       MET  57   7.741   9.411   1.909
  469   2HB   MET  57          1HB       MET  57   6.068   8.873   1.875
  470   1HG   MET  57          2HG       MET  57   8.173   8.356  -0.210
  471   2HG   MET  57          1HG       MET  57   7.473   7.187   0.908
  472   1HE   MET  57          1HE       MET  57   6.900   5.517  -1.048
  473   2HE   MET  57          2HE       MET  57   7.652   6.634  -2.187
  474   3HE   MET  57          3HE       MET  57   6.046   5.986  -2.519
  475    H    MET  58           H        MET  58   6.275  13.006   0.249
  476    HA   MET  58           HA       MET  58   5.284  13.469   2.968
  477   1HB   MET  58          2HB       MET  58   6.206  15.373   0.809
  478   2HB   MET  58          1HB       MET  58   5.457  15.907   2.305
  479   1HG   MET  58          2HG       MET  58   7.262  14.863   3.579
  480   2HG   MET  58          1HG       MET  58   8.016  14.350   2.072
  481   1HE   MET  58          1HE       MET  58   6.182  17.846   2.531
  482   2HE   MET  58          2HE       MET  58   7.488  18.784   3.255
  483   3HE   MET  58          3HE       MET  58   6.781  17.434   4.138
  484    H    ASN  59           H        ASN  59   4.360  13.792  -0.414
  485    HA   ASN  59           HA       ASN  59   1.796  14.960   0.301
  486   1HB   ASN  59          2HB       ASN  59   2.905  14.204  -2.413
  487   2HB   ASN  59          1HB       ASN  59   1.384  15.045  -2.136
  488   1HD2  ASN  59          1HD2      ASN  59   3.480  15.999  -3.726
  489   2HD2  ASN  59          2HD2      ASN  59   4.108  17.439  -2.992
  490    H    ALA  60           H        ALA  60  -0.223  14.033  -0.341
  491    HA   ALA  60           HA       ALA  60  -0.362  11.217   0.166
  492   1HB   ALA  60          1HB       ALA  60  -2.762  11.505   0.035
  493   2HB   ALA  60          2HB       ALA  60  -2.554  13.112  -0.663
  494   3HB   ALA  60          3HB       ALA  60  -2.049  12.799   0.998
  495    H    GLU  61           H        GLU  61   0.215  13.003  -2.574
  496    HA   GLU  61           HA       GLU  61  -1.182  11.794  -4.628
  497   1HB   GLU  61          2HB       GLU  61   1.722  12.630  -4.708
  498   2HB   GLU  61          1HB       GLU  61   0.636  12.490  -6.082
  499   1HG   GLU  61          2HG       GLU  61  -0.673  14.345  -5.301
  500   2HG   GLU  61          1HG       GLU  61   0.269  14.429  -3.813
  501    H    HIS  62           H        HIS  62   1.982  10.853  -3.306
  502    HA   HIS  62           HA       HIS  62   2.064   8.469  -4.923
  503   1HB   HIS  62          2HB       HIS  62   3.891   9.328  -2.664
  504   2HB   HIS  62          1HB       HIS  62   4.196   8.017  -3.800
  505    HD1  HIS  62           1HD      HIS  62   4.381   8.848  -6.413
  506    HD2  HIS  62           2HD      HIS  62   4.871  11.735  -3.461
  507    HE1  HIS  62           1HE      HIS  62   5.511  10.781  -7.541
  508    HE2  HIS  62           2HE      HIS  62   5.999  12.413  -5.691
  509    H    ARG  63           H        ARG  63   0.848   9.352  -1.860
  510    HA   ARG  63           HA       ARG  63   1.012   6.862  -0.526
  511   1HB   ARG  63          2HB       ARG  63   0.530   9.054   0.578
  512   2HB   ARG  63          1HB       ARG  63  -1.063   9.035  -0.164
  513   1HG   ARG  63          2HG       ARG  63  -1.281   8.302   2.092
  514   2HG   ARG  63          1HG       ARG  63  -1.528   6.906   1.040
  515   1HD   ARG  63          2HD       ARG  63  -0.129   6.311   2.939
  516   2HD   ARG  63          1HD       ARG  63   0.787   6.208   1.436
  517    HE   ARG  63           HE       ARG  63   1.143   8.759   2.564
  518   1HH1  ARG  63          1HH1      ARG  63   2.016   5.424   3.161
  519   2HH1  ARG  63          2HH1      ARG  63   3.481   5.826   3.996
  520   1HH2  ARG  63          1HH2      ARG  63   3.062   9.292   3.654
  521   2HH2  ARG  63          2HH2      ARG  63   4.079   8.032   4.275
  522    H    LYS  64           H        LYS  64  -1.654   8.419  -2.320
  523    HA   LYS  64           HA       LYS  64  -3.335   6.127  -2.217
  524   1HB   LYS  64          2HB       LYS  64  -4.761   7.272  -3.789
  525   2HB   LYS  64          1HB       LYS  64  -4.179   8.445  -2.616
  526   1HG   LYS  64          2HG       LYS  64  -2.675   9.395  -4.165
  527   2HG   LYS  64          1HG       LYS  64  -2.875   8.051  -5.290
  528   1HD   LYS  64          2HD       LYS  64  -5.289   8.733  -5.501
  529   2HD   LYS  64          1HD       LYS  64  -4.878  10.191  -4.595
  530   1HE   LYS  64          2HE       LYS  64  -3.257  10.814  -6.288
  531   2HE   LYS  64          1HE       LYS  64  -3.577   9.323  -7.172
  532   1HZ   LYS  64          1HZ       LYS  64  -5.376  11.639  -6.797
  533   2HZ   LYS  64          2HZ       LYS  64  -5.944  10.137  -7.319
  534   3HZ   LYS  64          3HZ       LYS  64  -4.800  10.975  -8.249
  535    H    LEU  65           H        LEU  65  -0.847   7.251  -4.400
  536    HA   LEU  65           HA       LEU  65  -1.335   5.642  -6.617
  537   1HB   LEU  65          2HB       LEU  65   0.339   7.416  -6.607
  538   2HB   LEU  65          1HB       LEU  65   1.302   6.522  -5.447
  539    HG   LEU  65           HG       LEU  65   1.584   4.723  -7.159
  540   1HD1  LEU  65          1HD1      LEU  65   0.315   6.757  -8.988
  541   2HD1  LEU  65          2HD1      LEU  65  -0.372   5.202  -8.519
  542   3HD1  LEU  65          3HD1      LEU  65   1.097   5.258  -9.493
  543   1HD2  LEU  65          1HD2      LEU  65   2.550   7.480  -7.903
  544   2HD2  LEU  65          2HD2      LEU  65   3.237   5.961  -8.476
  545   3HD2  LEU  65          3HD2      LEU  65   3.317   6.374  -6.764
  546    H    LEU  66           H        LEU  66   0.854   4.978  -3.883
  547    HA   LEU  66           HA       LEU  66   1.477   2.354  -4.620
  548   1HB   LEU  66          2HB       LEU  66   1.658   3.927  -2.107
  549   2HB   LEU  66          1HB       LEU  66   1.785   2.184  -1.973
  550    HG   LEU  66           HG       LEU  66   3.678   2.227  -3.577
  551   1HD1  LEU  66          1HD1      LEU  66   3.121   4.279  -4.768
  552   2HD1  LEU  66          2HD1      LEU  66   4.752   4.359  -4.100
  553   3HD1  LEU  66          3HD1      LEU  66   3.431   5.220  -3.311
  554   1HD2  LEU  66          1HD2      LEU  66   5.308   3.193  -2.018
  555   2HD2  LEU  66          2HD2      LEU  66   4.100   2.214  -1.185
  556   3HD2  LEU  66          3HD2      LEU  66   3.995   3.974  -1.142
  557    H    GLU  67           H        GLU  67  -1.218   3.658  -2.798
  558    HA   GLU  67           HA       GLU  67  -2.270   1.220  -1.845
  559   1HB   GLU  67          2HB       GLU  67  -3.032   3.364  -0.981
  560   2HB   GLU  67          1HB       GLU  67  -3.650   3.811  -2.564
  561   1HG   GLU  67          2HG       GLU  67  -5.321   2.066  -2.441
  562   2HG   GLU  67          1HG       GLU  67  -4.680   1.529  -0.891
  563    H    GLN  68           H        GLN  68  -3.076   3.123  -4.744
  564    HA   GLN  68           HA       GLN  68  -4.929   1.296  -5.805
  565   1HB   GLN  68          2HB       GLN  68  -3.207   3.356  -7.178
  566   2HB   GLN  68          1HB       GLN  68  -4.496   2.460  -7.969
  567   1HG   GLN  68          2HG       GLN  68  -6.109   3.388  -6.388
  568   2HG   GLN  68          1HG       GLN  68  -4.814   4.314  -5.625
  569   1HE2  GLN  68          1HE2      GLN  68  -6.856   3.982  -8.394
  570   2HE2  GLN  68          2HE2      GLN  68  -6.516   5.524  -9.095
  571    H    GLU  69           H        GLU  69  -1.439   1.667  -6.416
  572    HA   GLU  69           HA       GLU  69  -1.348  -0.408  -8.353
  573   1HB   GLU  69          2HB       GLU  69   0.893   0.731  -6.666
  574   2HB   GLU  69          1HB       GLU  69   1.101  -0.316  -8.064
  575   1HG   GLU  69          2HG       GLU  69  -0.272   1.511  -9.300
  576   2HG   GLU  69          1HG       GLU  69   0.219   2.531  -7.947
  577    H    MET  70           H        MET  70  -1.125  -0.370  -4.868
  578    HA   MET  70           HA       MET  70  -0.114  -2.977  -4.503
  579   1HB   MET  70          2HB       MET  70  -0.254  -1.316  -2.686
  580   2HB   MET  70          1HB       MET  70  -2.008  -1.419  -2.730
  581   1HG   MET  70          2HG       MET  70  -1.823  -3.822  -2.141
  582   2HG   MET  70          1HG       MET  70  -0.086  -3.595  -1.944
  583   1HE   MET  70          1HE       MET  70  -0.021  -0.632  -0.676
  584   2HE   MET  70          2HE       MET  70   0.982  -1.966  -0.105
  585   3HE   MET  70          3HE       MET  70   0.025  -1.030   1.043
  586    H    VAL  71           H        VAL  71  -3.455  -1.753  -4.540
  587    HA   VAL  71           HA       VAL  71  -4.685  -4.270  -4.273
  588    HB   VAL  71           HB       VAL  71  -5.804  -1.778  -5.576
  589   1HG1  VAL  71          1HG1      VAL  71  -7.043  -3.874  -6.099
  590   2HG1  VAL  71          2HG1      VAL  71  -7.988  -2.699  -5.184
  591   3HG1  VAL  71          3HG1      VAL  71  -7.303  -4.102  -4.370
  592   1HG2  VAL  71          1HG2      VAL  71  -6.822  -1.337  -3.391
  593   2HG2  VAL  71          2HG2      VAL  71  -5.061  -1.369  -3.288
  594   3HG2  VAL  71          3HG2      VAL  71  -6.005  -2.749  -2.725
  595    H    SER  72           H        SER  72  -3.619  -2.444  -7.080
  596    HA   SER  72           HA       SER  72  -4.796  -4.106  -9.038
  597   1HB   SER  72          2HB       SER  72  -2.311  -2.389  -9.267
  598   2HB   SER  72          1HB       SER  72  -3.264  -3.022 -10.610
  599    HG   SER  72           HG       SER  72  -3.988  -1.063  -8.695
  600    H    PHE  73           H        PHE  73  -1.489  -4.026  -7.708
  601    HA   PHE  73           HA       PHE  73  -0.584  -6.165  -9.345
  602   1HB   PHE  73          2HB       PHE  73   0.875  -4.384  -8.394
  603   2HB   PHE  73          1HB       PHE  73   0.642  -5.088  -6.800
  604    HD1  PHE  73           1HD      PHE  73   1.792  -7.085  -6.144
  605    HD2  PHE  73           2HD      PHE  73   2.183  -5.544 -10.089
  606    HE1  PHE  73           1HE      PHE  73   3.711  -8.574  -6.531
  607    HE2  PHE  73           2HE      PHE  73   4.097  -7.035 -10.487
  608    HZ   PHE  73           HZ       PHE  73   4.865  -8.552  -8.705
  609    H    LEU  74           H        LEU  74  -1.575  -5.961  -5.942
  610    HA   LEU  74           HA       LEU  74  -0.821  -8.701  -5.486
  611   1HB   LEU  74          2HB       LEU  74  -2.063  -6.595  -3.743
  612   2HB   LEU  74          1HB       LEU  74  -1.796  -8.238  -3.190
  613    HG   LEU  74           HG       LEU  74   0.352  -6.318  -4.101
  614   1HD1  LEU  74          1HD1      LEU  74   1.021  -6.280  -1.768
  615   2HD1  LEU  74          2HD1      LEU  74  -0.316  -7.352  -1.351
  616   3HD1  LEU  74          3HD1      LEU  74  -0.642  -5.724  -1.943
  617   1HD2  LEU  74          1HD2      LEU  74   1.903  -8.032  -3.223
  618   2HD2  LEU  74          2HD2      LEU  74   0.990  -8.588  -4.625
  619   3HD2  LEU  74          3HD2      LEU  74   0.536  -9.124  -3.007
  620    H    PHE  75           H        PHE  75  -3.838  -6.978  -6.067
  621    HA   PHE  75           HA       PHE  75  -5.280  -9.461  -5.428
  622   1HB   PHE  75          2HB       PHE  75  -6.348  -6.634  -5.541
  623   2HB   PHE  75          1HB       PHE  75  -7.291  -8.068  -5.145
  624    HD1  PHE  75           1HD      PHE  75  -5.738  -9.564  -3.315
  625    HD2  PHE  75           2HD      PHE  75  -6.048  -5.345  -3.671
  626    HE1  PHE  75           1HE      PHE  75  -5.101  -9.321  -0.958
  627    HE2  PHE  75           2HE      PHE  75  -5.415  -5.089  -1.308
  628    HZ   PHE  75           HZ       PHE  75  -4.941  -7.088   0.051
  629    H    GLU  76           H        GLU  76  -4.719  -7.120  -7.957
  630    HA   GLU  76           HA       GLU  76  -5.247  -7.083 -10.170
  631   1HB   GLU  76          2HB       GLU  76  -5.893  -9.986  -9.625
  632   2HB   GLU  76          1HB       GLU  76  -5.930  -9.272 -11.230
  633   1HG   GLU  76          2HG       GLU  76  -3.460  -9.014  -9.592
  634   2HG   GLU  76          1HG       GLU  76  -3.826 -10.557 -10.362
  635    H    GLY  77           H        GLY  77  -7.366  -6.854  -7.898
  636   1HA   GLY  77          2HA       GLY  77  -9.699  -6.903  -9.702
  637   2HA   GLY  77          1HA       GLY  77  -9.803  -7.560  -8.075
  638    H    LYS  78           H        LYS  78  -8.968  -4.576  -9.812
  639    HA   LYS  78           HA       LYS  78 -10.208  -3.081  -7.608
  640   1HB   LYS  78          2HB       LYS  78  -8.548  -1.217  -8.310
  641   2HB   LYS  78          1HB       LYS  78  -7.976  -2.524  -7.295
  642   1HG   LYS  78          2HG       LYS  78  -6.307  -2.140  -8.913
  643   2HG   LYS  78          1HG       LYS  78  -7.116  -3.633  -9.379
  644   1HD   LYS  78          2HD       LYS  78  -8.468  -2.337 -11.002
  645   2HD   LYS  78          1HD       LYS  78  -7.539  -0.898 -10.575
  646   1HE   LYS  78          2HE       LYS  78  -5.513  -1.899 -11.369
  647   2HE   LYS  78          1HE       LYS  78  -6.323  -3.442 -11.633
  648   1HZ   LYS  78          1HZ       LYS  78  -7.736  -2.289 -13.285
  649   2HZ   LYS  78          2HZ       LYS  78  -6.102  -2.350 -13.709
  650   3HZ   LYS  78          3HZ       LYS  78  -6.761  -0.915 -13.111
  651    H    ASP  79           H        ASP  79 -11.280  -1.150  -8.159
  652    HA   ASP  79           HA       ASP  79 -12.009  -0.984 -11.011
  653   1HB   ASP  79          2HB       ASP  79 -13.651  -0.352  -8.552
  654   2HB   ASP  79          1HB       ASP  79 -14.145   0.068 -10.187
  655    H    VAL  80           H        VAL  80 -10.454   0.588  -8.493
  656    HA   VAL  80           HA       VAL  80 -11.097   3.287  -9.249
  657    HB   VAL  80           HB       VAL  80  -8.727   2.427  -7.589
  658   1HG1  VAL  80          1HG1      VAL  80  -8.952   4.640  -6.588
  659   2HG1  VAL  80          2HG1      VAL  80 -10.343   4.976  -7.619
  660   3HG1  VAL  80          3HG1      VAL  80  -8.746   4.758  -8.336
  661   1HG2  VAL  80          1HG2      VAL  80 -10.721   1.391  -6.648
  662   2HG2  VAL  80          2HG2      VAL  80 -11.541   2.951  -6.634
  663   3HG2  VAL  80          3HG2      VAL  80 -10.135   2.683  -5.602
  664    H    HIS  81           H        HIS  81 -10.385   4.120 -11.099
  665    HA   HIS  81           HA       HIS  81  -8.219   3.086 -12.591
  666   1HB   HIS  81          2HB       HIS  81 -10.141   4.423 -13.529
  667   2HB   HIS  81          1HB       HIS  81  -9.412   5.858 -12.819
  668    HD1  HIS  81           1HD      HIS  81  -7.215   6.755 -13.948
  669    HD2  HIS  81           2HD      HIS  81  -8.929   3.477 -15.842
  670    HE1  HIS  81           1HE      HIS  81  -6.086   6.604 -16.187
  671    HE2  HIS  81           2HE      HIS  81  -7.046   4.539 -17.260
  672    H    ILE  82           H        ILE  82  -6.105   3.382 -12.307
  673    HA   ILE  82           HA       ILE  82  -5.149   4.993 -10.167
  674    HB   ILE  82           HB       ILE  82  -3.474   3.757 -12.355
  675   1HG1  ILE  82          2HG1      ILE  82  -4.621   2.558  -9.827
  676   2HG1  ILE  82          1HG1      ILE  82  -4.879   2.010 -11.475
  677   1HG2  ILE  82          1HG2      ILE  82  -1.747   3.714 -10.606
  678   2HG2  ILE  82          2HG2      ILE  82  -2.867   4.500  -9.492
  679   3HG2  ILE  82          3HG2      ILE  82  -2.309   5.355 -10.930
  680   1HD1  ILE  82          1HD1      ILE  82  -2.524   1.350 -11.608
  681   2HD1  ILE  82          2HD1      ILE  82  -3.378   0.528 -10.301
  682   3HD1  ILE  82          3HD1      ILE  82  -2.297   1.874  -9.940
  683    H    GLU  83           H        GLU  83  -5.098   7.104 -10.237
  684    HA   GLU  83           HA       GLU  83  -5.062   9.236 -10.942
  685   1HB   GLU  83          2HB       GLU  83  -3.023   8.019 -12.761
  686   2HB   GLU  83          1HB       GLU  83  -3.520   9.690 -13.005
  687   1HG   GLU  83          2HG       GLU  83  -2.403   8.555 -10.450
  688   2HG   GLU  83          1HG       GLU  83  -1.510   9.524 -11.625
  689    H    GLY  84           H        GLY  84  -7.165   9.415 -11.445
  690   1HA   GLY  84          2HA       GLY  84  -7.885  10.331 -13.935
  691   2HA   GLY  84          1HA       GLY  84  -8.287   8.618 -13.938
  692    H    TYR  85           H        TYR  85 -10.438   8.529 -13.751
  693    HA   TYR  85           HA       TYR  85 -12.003  10.392 -12.304
  694   1HB   TYR  85          2HB       TYR  85 -12.724   8.855 -14.227
  695   2HB   TYR  85          1HB       TYR  85 -12.847   7.587 -13.013
  696    HD1  TYR  85           1HD      TYR  85 -14.624   7.627 -11.351
  697    HD2  TYR  85           2HD      TYR  85 -14.282  10.710 -14.257
  698    HE1  TYR  85           1HE      TYR  85 -16.894   8.391 -10.805
  699    HE2  TYR  85           2HE      TYR  85 -16.553  11.479 -13.722
  700    HH   TYR  85           HH       TYR  85 -18.227  10.522 -10.977
  701    H    THR  86           H        THR  86 -12.460  10.473 -10.192
  702    HA   THR  86           HA       THR  86 -11.591   8.209  -8.531
  703    HB   THR  86           HB       THR  86 -10.106  10.126  -8.265
  704    HG1  THR  86           1HG      THR  86 -11.797   9.914  -5.975
  705   1HG2  THR  86          1HG2      THR  86 -12.576  11.652  -7.437
  706   2HG2  THR  86          2HG2      THR  86 -11.637  11.908  -8.908
  707   3HG2  THR  86          3HG2      THR  86 -10.918  12.247  -7.334
  708    HA   PRO  87           HA       PRO  87 -15.702   8.334  -6.693
  709   1HB   PRO  87          2HB       PRO  87 -14.572   7.022  -4.348
  710   2HB   PRO  87          1HB       PRO  87 -15.717   6.385  -5.531
  711   1HG   PRO  87          2HG       PRO  87 -13.162   5.496  -5.327
  712   2HG   PRO  87          1HG       PRO  87 -14.065   5.503  -6.851
  713   1HD   PRO  87          2HD       PRO  87 -11.988   7.426  -5.871
  714   2HD   PRO  87          1HD       PRO  87 -12.228   6.756  -7.499
  715    H    GLU  88           H        GLU  88 -16.343   8.618  -4.130
  716    HA   GLU  88           HA       GLU  88 -16.571  10.067  -2.387
  717   1HB   GLU  88          2HB       GLU  88 -13.707  10.890  -2.921
  718   2HB   GLU  88          1HB       GLU  88 -14.611  11.113  -1.429
  719   1HG   GLU  88          2HG       GLU  88 -13.777   8.471  -2.608
  720   2HG   GLU  88          1HG       GLU  88 -12.997   9.294  -1.261
  721    H    ASP  89           H        ASP  89 -16.978  10.832  -5.231
  722    HA   ASP  89           HA       ASP  89 -16.233  13.638  -5.348
  723   1HB   ASP  89          2HB       ASP  89 -15.896  12.368  -7.360
  724   2HB   ASP  89          1HB       ASP  89 -17.557  11.789  -7.328
  725    H    LYS  90           H        LYS  90 -19.219  11.708  -5.440
  726    HA   LYS  90           HA       LYS  90 -20.765  14.178  -5.231
  727   1HB   LYS  90          2HB       LYS  90 -22.717  12.753  -5.717
  728   2HB   LYS  90          1HB       LYS  90 -21.480  12.662  -6.960
  729   1HG   LYS  90          2HG       LYS  90 -20.720  10.523  -6.048
  730   2HG   LYS  90          1HG       LYS  90 -21.959  10.619  -4.795
  731   1HD   LYS  90          2HD       LYS  90 -22.686   9.172  -6.617
  732   2HD   LYS  90          1HD       LYS  90 -23.702  10.612  -6.528
  733   1HE   LYS  90          2HE       LYS  90 -22.350  11.624  -8.336
  734   2HE   LYS  90          1HE       LYS  90 -21.430  10.127  -8.453
  735   1HZ   LYS  90          1HZ       LYS  90 -24.357  10.366  -8.896
  736   2HZ   LYS  90          2HZ       LYS  90 -23.425   8.964  -9.086
  737   3HZ   LYS  90          3HZ       LYS  90 -23.189  10.282 -10.117
  738    H    LYS  91           H        LYS  91 -19.214  12.797  -3.025
  739    HA   LYS  91           HA       LYS  91 -21.275  13.223  -1.044
  740   1HB   LYS  91          2HB       LYS  91 -20.600  11.153   0.225
  741   2HB   LYS  91          1HB       LYS  91 -21.522  10.864  -1.241
  742   1HG   LYS  91          2HG       LYS  91 -19.532  10.198  -2.420
  743   2HG   LYS  91          1HG       LYS  91 -18.527  10.636  -1.034
  744   1HD   LYS  91          2HD       LYS  91 -19.707   8.925   0.311
  745   2HD   LYS  91          1HD       LYS  91 -20.611   8.455  -1.129
  746   1HE   LYS  91          2HE       LYS  91 -18.583   7.782  -2.240
  747   2HE   LYS  91          1HE       LYS  91 -17.603   8.389  -0.904
  748   1HZ   LYS  91          1HZ       LYS  91 -19.506   6.108  -0.819
  749   2HZ   LYS  91          2HZ       LYS  91 -18.702   6.734   0.530
  750   3HZ   LYS  91          3HZ       LYS  91 -17.818   6.025  -0.725
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1   3.725 -20.154   7.871
    2   2H    MET   1          2HT       MET   1   4.018 -21.284   9.100
    3   3H    MET   1          3HT       MET   1   4.326 -19.645   9.372
    4    HA   MET   1           HA       MET   1   2.313 -20.237  10.477
    5   1HB   MET   1          2HB       MET   1   2.437 -18.009   9.417
    6   2HB   MET   1          1HB       MET   1   1.765 -18.681   7.937
    7   1HG   MET   1          2HG       MET   1   0.079 -17.492   9.213
    8   2HG   MET   1          1HG       MET   1  -0.307 -19.208   9.091
    9   1HE   MET   1          1HE       MET   1  -1.722 -18.384  12.618
   10   2HE   MET   1          2HE       MET   1  -2.046 -19.117  11.047
   11   3HE   MET   1          3HE       MET   1  -1.787 -17.376  11.174
   12    H    SER   2           H        SER   2   1.113 -22.037  10.625
   13    HA   SER   2           HA       SER   2   0.523 -23.547   8.235
   14   1HB   SER   2          2HB       SER   2  -0.427 -25.216   9.853
   15   2HB   SER   2          1HB       SER   2   1.264 -24.808  10.144
   16    HG   SER   2           HG       SER   2  -1.021 -23.880  11.547
   17    H    ARG   3           H        ARG   3  -0.840 -21.740   7.423
   18    HA   ARG   3           HA       ARG   3  -3.618 -22.459   7.965
   19   1HB   ARG   3          2HB       ARG   3  -3.305 -20.421   9.273
   20   2HB   ARG   3          1HB       ARG   3  -2.622 -19.599   7.875
   21   1HG   ARG   3          2HG       ARG   3  -4.728 -19.635   6.741
   22   2HG   ARG   3          1HG       ARG   3  -5.434 -20.669   7.984
   23   1HD   ARG   3          2HD       ARG   3  -4.412 -17.867   8.436
   24   2HD   ARG   3          1HD       ARG   3  -6.106 -18.300   8.207
   25    HE   ARG   3           HE       ARG   3  -5.280 -19.873  10.279
   26   1HH1  ARG   3          1HH1      ARG   3  -5.311 -16.414   9.674
   27   2HH1  ARG   3          2HH1      ARG   3  -5.410 -16.002  11.356
   28   1HH2  ARG   3          1HH2      ARG   3  -5.455 -19.323  12.482
   29   2HH2  ARG   3          2HH2      ARG   3  -5.504 -17.652  12.945
   30    H    THR   4           H        THR   4  -4.148 -23.326   6.078
   31    HA   THR   4           HA       THR   4  -2.814 -22.555   3.654
   32    HB   THR   4           HB       THR   4  -5.125 -24.476   3.881
   33    HG1  THR   4           1HG      THR   4  -3.812 -25.926   4.754
   34   1HG2  THR   4          1HG2      THR   4  -2.735 -24.363   2.030
   35   2HG2  THR   4          2HG2      THR   4  -4.382 -23.887   1.617
   36   3HG2  THR   4          3HG2      THR   4  -4.020 -25.572   1.990
   37    H    ILE   5           H        ILE   5  -3.433 -20.649   2.815
   38    HA   ILE   5           HA       ILE   5  -6.296 -20.358   2.174
   39    HB   ILE   5           HB       ILE   5  -5.855 -17.875   2.044
   40   1HG1  ILE   5          2HG1      ILE   5  -3.915 -17.210   3.687
   41   2HG1  ILE   5          1HG1      ILE   5  -3.240 -18.765   3.215
   42   1HG2  ILE   5          1HG2      ILE   5  -5.574 -19.194   4.737
   43   2HG2  ILE   5          2HG2      ILE   5  -7.081 -18.843   3.891
   44   3HG2  ILE   5          3HG2      ILE   5  -6.062 -17.522   4.462
   45   1HD1  ILE   5          1HD1      ILE   5  -2.307 -16.966   1.887
   46   2HD1  ILE   5          2HD1      ILE   5  -3.924 -16.494   1.361
   47   3HD1  ILE   5          3HD1      ILE   5  -3.259 -18.053   0.875
   48    H    PHE   6           H        PHE   6  -6.725 -19.258   0.121
   49    HA   PHE   6           HA       PHE   6  -4.640 -19.897  -1.833
   50   1HB   PHE   6          2HB       PHE   6  -7.600 -19.390  -2.169
   51   2HB   PHE   6          1HB       PHE   6  -6.490 -19.601  -3.520
   52    HD1  PHE   6           1HD      PHE   6  -8.288 -21.245  -0.821
   53    HD2  PHE   6           2HD      PHE   6  -5.460 -21.768  -3.950
   54    HE1  PHE   6           1HE      PHE   6  -8.581 -23.682  -0.669
   55    HE2  PHE   6           2HE      PHE   6  -5.747 -24.207  -3.807
   56    HZ   PHE   6           HZ       PHE   6  -7.310 -25.168  -2.166
   57    H    CYS   7           H        CYS   7  -3.291 -18.253  -1.999
   58    HA   CYS   7           HA       CYS   7  -4.093 -15.547  -1.570
   59   1HB   CYS   7          2HB       CYS   7  -1.697 -15.088  -2.345
   60   2HB   CYS   7          1HB       CYS   7  -1.903 -16.051  -0.886
   61    HG   CYS   7           HG       CYS   7  -0.478 -18.013  -1.676
   62    H    THR   8           H        THR   8  -4.470 -13.952  -2.983
   63    HA   THR   8           HA       THR   8  -5.521 -14.617  -5.489
   64    HB   THR   8           HB       THR   8  -5.466 -12.060  -5.820
   65    HG1  THR   8           1HG      THR   8  -4.309 -11.015  -4.383
   66   1HG2  THR   8          1HG2      THR   8  -7.277 -11.734  -4.203
   67   2HG2  THR   8          2HG2      THR   8  -6.815 -13.223  -3.380
   68   3HG2  THR   8          3HG2      THR   8  -7.440 -13.282  -5.028
   69    H    TYR   9           H        TYR   9  -2.345 -13.408  -4.580
   70    HA   TYR   9           HA       TYR   9  -1.589 -12.658  -7.216
   71   1HB   TYR   9          2HB       TYR   9  -0.555 -11.684  -5.186
   72   2HB   TYR   9          1HB       TYR   9   0.204 -13.235  -4.851
   73    HD1  TYR   9           1HD      TYR   9   2.320 -13.705  -5.730
   74    HD2  TYR   9           2HD      TYR   9   0.007 -10.578  -7.455
   75    HE1  TYR   9           1HE      TYR   9   4.237 -13.067  -7.127
   76    HE2  TYR   9           2HE      TYR   9   1.918  -9.937  -8.865
   77    HH   TYR   9           HH       TYR   9   4.616 -11.884  -9.309
   78    H    LEU  10           H        LEU  10  -0.965 -15.572  -5.261
   79    HA   LEU  10           HA       LEU  10   0.625 -16.695  -7.427
   80   1HB   LEU  10          2HB       LEU  10  -0.043 -17.715  -4.672
   81   2HB   LEU  10          1HB       LEU  10   0.802 -18.688  -5.857
   82    HG   LEU  10           HG       LEU  10   2.534 -16.787  -5.915
   83   1HD1  LEU  10          1HD1      LEU  10   1.163 -16.124  -3.315
   84   2HD1  LEU  10          2HD1      LEU  10   1.212 -15.103  -4.752
   85   3HD1  LEU  10          3HD1      LEU  10   2.699 -15.462  -3.871
   86   1HD2  LEU  10          1HD2      LEU  10   3.715 -17.720  -4.008
   87   2HD2  LEU  10          2HD2      LEU  10   2.915 -18.998  -4.922
   88   3HD2  LEU  10          3HD2      LEU  10   2.218 -18.429  -3.406
   89    H    GLN  11           H        GLN  11  -2.569 -16.933  -6.113
   90    HA   GLN  11           HA       GLN  11  -4.445 -17.984  -6.828
   91   1HB   GLN  11          2HB       GLN  11  -2.706 -18.484  -9.229
   92   2HB   GLN  11          1HB       GLN  11  -4.312 -19.186  -9.111
   93   1HG   GLN  11          2HG       GLN  11  -3.659 -16.249  -9.030
   94   2HG   GLN  11          1HG       GLN  11  -4.328 -17.130 -10.404
   95   1HE2  GLN  11          1HE2      GLN  11  -4.973 -15.687  -7.343
   96   2HE2  GLN  11          2HE2      GLN  11  -6.691 -15.893  -7.365
   97    H    ARG  12           H        ARG  12  -2.099 -19.330  -5.423
   98    HA   ARG  12           HA       ARG  12  -3.110 -22.079  -5.699
   99   1HB   ARG  12          2HB       ARG  12  -0.266 -21.265  -5.061
  100   2HB   ARG  12          1HB       ARG  12  -0.870 -22.911  -5.145
  101   1HG   ARG  12          2HG       ARG  12  -1.311 -22.648  -7.522
  102   2HG   ARG  12          1HG       ARG  12  -0.751 -20.977  -7.445
  103   1HD   ARG  12          2HD       ARG  12   1.464 -21.749  -6.756
  104   2HD   ARG  12          1HD       ARG  12   0.906 -23.421  -6.830
  105    HE   ARG  12           HE       ARG  12   0.469 -22.116  -9.306
  106   1HH1  ARG  12          1HH1      ARG  12   3.028 -23.469  -7.338
  107   2HH1  ARG  12          2HH1      ARG  12   4.041 -23.856  -8.693
  108   1HH2  ARG  12          1HH2      ARG  12   1.808 -22.622 -11.097
  109   2HH2  ARG  12          2HH2      ARG  12   3.337 -23.400 -10.829
  110    H    ASP  13           H        ASP  13  -2.518 -23.362  -3.642
  111    HA   ASP  13           HA       ASP  13  -3.416 -21.860  -1.368
  112   1HB   ASP  13          2HB       ASP  13  -3.181 -24.009  -0.144
  113   2HB   ASP  13          1HB       ASP  13  -4.210 -24.126  -1.564
  114    H    ALA  14           H        ALA  14  -2.244 -20.968   0.147
  115    HA   ALA  14           HA       ALA  14   0.527 -21.732   0.566
  116   1HB   ALA  14          1HB       ALA  14   1.389 -19.489   0.257
  117   2HB   ALA  14          2HB       ALA  14  -0.220 -18.904  -0.164
  118   3HB   ALA  14          3HB       ALA  14   0.612 -20.038  -1.229
  119    H    GLU  15           H        GLU  15   1.382 -19.971   2.305
  120    HA   GLU  15           HA       GLU  15  -0.436 -20.387   4.515
  121   1HB   GLU  15          2HB       GLU  15   1.436 -19.784   5.929
  122   2HB   GLU  15          1HB       GLU  15   1.958 -20.956   4.728
  123   1HG   GLU  15          2HG       GLU  15   2.899 -19.100   3.390
  124   2HG   GLU  15          1HG       GLU  15   2.466 -17.990   4.690
  125    H    GLY  16           H        GLY  16  -1.342 -18.795   5.761
  126   1HA   GLY  16          2HA       GLY  16  -1.813 -16.242   4.637
  127   2HA   GLY  16          1HA       GLY  16  -2.182 -16.722   6.289
  128    H    GLN  17           H        GLN  17  -1.334 -14.178   5.848
  129    HA   GLN  17           HA       GLN  17   1.505 -13.983   6.044
  130   1HB   GLN  17          2HB       GLN  17  -0.742 -12.051   6.081
  131   2HB   GLN  17          1HB       GLN  17   0.789 -11.539   6.770
  132   1HG   GLN  17          2HG       GLN  17   1.902 -12.133   4.652
  133   2HG   GLN  17          1HG       GLN  17   0.324 -12.519   3.966
  134   1HE2  GLN  17          1HE2      GLN  17   2.358  -9.977   5.215
  135   2HE2  GLN  17          2HE2      GLN  17   1.507  -8.671   4.472
  136    H    ASP  18           H        ASP  18  -0.027 -11.906   8.263
  137    HA   ASP  18           HA       ASP  18   1.112 -13.404  10.508
  138   1HB   ASP  18          2HB       ASP  18   1.860 -10.600   9.659
  139   2HB   ASP  18          1HB       ASP  18   2.166 -11.213  11.279
  140    H    PHE  19           H        PHE  19   0.882 -11.461  12.420
  141    HA   PHE  19           HA       PHE  19  -1.998 -11.172  12.670
  142   1HB   PHE  19          2HB       PHE  19  -1.468 -10.523  15.018
  143   2HB   PHE  19          1HB       PHE  19  -0.868 -12.120  14.588
  144    HD1  PHE  19           1HD      PHE  19  -0.010  -8.777  15.655
  145    HD2  PHE  19           2HD      PHE  19   1.561 -12.453  14.194
  146    HE1  PHE  19           1HE      PHE  19   2.232  -8.115  16.414
  147    HE2  PHE  19           2HE      PHE  19   3.806 -11.794  14.950
  148    HZ   PHE  19           HZ       PHE  19   4.145  -9.626  16.060
  149    H    GLN  20           H        GLN  20  -2.619  -9.043  13.901
  150    HA   GLN  20           HA       GLN  20  -2.017  -6.878  12.143
  151   1HB   GLN  20          2HB       GLN  20  -3.491  -6.875  14.785
  152   2HB   GLN  20          1HB       GLN  20  -3.479  -5.558  13.623
  153   1HG   GLN  20          2HG       GLN  20  -4.606  -8.312  13.167
  154   2HG   GLN  20          1HG       GLN  20  -5.533  -6.843  13.473
  155   1HE2  GLN  20          1HE2      GLN  20  -5.621  -5.248  11.883
  156   2HE2  GLN  20          2HE2      GLN  20  -5.245  -5.587  10.231
  157    H    LEU  21           H        LEU  21   0.091  -6.292  12.232
  158    HA   LEU  21           HA       LEU  21   1.160  -5.493  14.851
  159   1HB   LEU  21          2HB       LEU  21   3.423  -5.863  13.593
  160   2HB   LEU  21          1HB       LEU  21   2.553  -7.213  14.294
  161    HG   LEU  21           HG       LEU  21   1.593  -7.674  12.012
  162   1HD1  LEU  21          1HD1      LEU  21   1.922  -5.481  11.015
  163   2HD1  LEU  21          2HD1      LEU  21   2.730  -6.734  10.075
  164   3HD1  LEU  21          3HD1      LEU  21   3.670  -5.679  11.131
  165   1HD2  LEU  21          1HD2      LEU  21   4.590  -7.774  12.304
  166   2HD2  LEU  21          2HD2      LEU  21   3.633  -8.728  11.170
  167   3HD2  LEU  21          3HD2      LEU  21   3.440  -8.969  12.906
  168    H    TYR  22           H        TYR  22   0.178  -4.292  11.871
  169    HA   TYR  22           HA       TYR  22   1.345  -1.729  12.453
  170   1HB   TYR  22          2HB       TYR  22   3.207  -2.566  11.239
  171   2HB   TYR  22          1HB       TYR  22   2.186  -3.262   9.994
  172    HD1  TYR  22           1HD      TYR  22   2.114  -2.159   7.975
  173    HD2  TYR  22           2HD      TYR  22   2.860   0.097  11.506
  174    HE1  TYR  22           1HE      TYR  22   2.385  -0.129   6.613
  175    HE2  TYR  22           2HE      TYR  22   3.127   2.132  10.152
  176    HH   TYR  22           HH       TYR  22   3.635   2.799   7.916
  177    HA   PRO  23           HA       PRO  23  -1.943  -1.075   9.181
  178   1HB   PRO  23          2HB       PRO  23  -2.862  -3.306   7.779
  179   2HB   PRO  23          1HB       PRO  23  -1.661  -2.150   7.213
  180   1HG   PRO  23          2HG       PRO  23  -1.229  -4.872   7.816
  181   2HG   PRO  23          1HG       PRO  23   0.008  -3.648   7.502
  182   1HD   PRO  23          2HD       PRO  23  -0.990  -4.711  10.095
  183   2HD   PRO  23          1HD       PRO  23   0.629  -4.132   9.656
  184    H    GLY  24           H        GLY  24  -4.364  -1.472   8.771
  185   1HA   GLY  24          2HA       GLY  24  -5.458  -2.715  11.219
  186   2HA   GLY  24          1HA       GLY  24  -6.141  -1.301  10.433
  187    H    GLU  25           H        GLU  25  -7.928  -1.675   9.358
  188    HA   GLU  25           HA       GLU  25  -8.978  -4.268   9.036
  189   1HB   GLU  25          2HB       GLU  25  -9.913  -1.718   7.713
  190   2HB   GLU  25          1HB       GLU  25 -10.854  -3.187   7.929
  191   1HG   GLU  25          2HG       GLU  25 -10.720  -2.911  10.355
  192   2HG   GLU  25          1HG       GLU  25  -9.803  -1.424  10.128
  193    H    LEU  26           H        LEU  26  -7.657  -1.975   6.657
  194    HA   LEU  26           HA       LEU  26  -7.998  -3.647   4.413
  195   1HB   LEU  26          2HB       LEU  26  -7.491  -1.231   4.272
  196   2HB   LEU  26          1HB       LEU  26  -5.889  -1.539   4.911
  197    HG   LEU  26           HG       LEU  26  -5.352  -2.877   2.907
  198   1HD1  LEU  26          1HD1      LEU  26  -7.576  -3.652   2.340
  199   2HD1  LEU  26          2HD1      LEU  26  -6.862  -2.794   0.973
  200   3HD1  LEU  26          3HD1      LEU  26  -8.080  -2.002   1.973
  201   1HD2  LEU  26          1HD2      LEU  26  -4.780  -0.510   2.967
  202   2HD2  LEU  26          2HD2      LEU  26  -6.368  -0.097   2.322
  203   3HD2  LEU  26          3HD2      LEU  26  -5.226  -1.006   1.333
  204    H    GLY  27           H        GLY  27  -5.585  -3.458   6.915
  205   1HA   GLY  27          2HA       GLY  27  -3.562  -5.011   5.728
  206   2HA   GLY  27          1HA       GLY  27  -3.801  -4.790   7.452
  207    H    LYS  28           H        LYS  28  -6.057  -6.000   8.082
  208    HA   LYS  28           HA       LYS  28  -5.303  -8.688   8.152
  209   1HB   LYS  28          2HB       LYS  28  -7.469  -9.133   9.172
  210   2HB   LYS  28          1HB       LYS  28  -6.770  -7.666   9.838
  211   1HG   LYS  28          2HG       LYS  28  -8.209  -6.346   8.317
  212   2HG   LYS  28          1HG       LYS  28  -8.967  -7.848   7.790
  213   1HD   LYS  28          2HD       LYS  28  -8.926  -6.784  10.612
  214   2HD   LYS  28          1HD       LYS  28 -10.293  -6.714   9.502
  215   1HE   LYS  28          2HE       LYS  28 -10.380  -9.149   9.439
  216   2HE   LYS  28          1HE       LYS  28  -8.995  -9.236  10.525
  217   1HZ   LYS  28          1HZ       LYS  28 -10.295  -8.124  12.220
  218   2HZ   LYS  28          2HZ       LYS  28 -11.079  -9.532  11.711
  219   3HZ   LYS  28          3HZ       LYS  28 -11.623  -8.024  11.180
  220    H    ARG  29           H        ARG  29  -7.468  -6.971   5.970
  221    HA   ARG  29           HA       ARG  29  -8.533  -9.183   4.627
  222   1HB   ARG  29          2HB       ARG  29  -9.397  -6.959   4.189
  223   2HB   ARG  29          1HB       ARG  29  -7.840  -6.447   3.542
  224   1HG   ARG  29          2HG       ARG  29  -8.077  -8.180   1.779
  225   2HG   ARG  29          1HG       ARG  29  -9.701  -8.500   2.377
  226   1HD   ARG  29          2HD       ARG  29 -10.395  -6.267   1.831
  227   2HD   ARG  29          1HD       ARG  29  -8.744  -5.822   1.387
  228    HE   ARG  29           HE       ARG  29  -9.070  -7.765  -0.314
  229   1HH1  ARG  29          1HH1      ARG  29 -11.472  -5.382   0.633
  230   2HH1  ARG  29          2HH1      ARG  29 -12.332  -5.468  -0.869
  231   1HH2  ARG  29          1HH2      ARG  29 -10.201  -7.872  -2.280
  232   2HH2  ARG  29          2HH2      ARG  29 -11.613  -6.891  -2.527
  233    H    ILE  30           H        ILE  30  -5.707  -7.199   3.738
  234    HA   ILE  30           HA       ILE  30  -4.853  -8.799   1.605
  235    HB   ILE  30           HB       ILE  30  -3.171  -7.058   3.419
  236   1HG1  ILE  30          2HG1      ILE  30  -4.502  -6.410   0.777
  237   2HG1  ILE  30          1HG1      ILE  30  -5.074  -5.876   2.354
  238   1HG2  ILE  30          1HG2      ILE  30  -1.825  -8.615   2.095
  239   2HG2  ILE  30          2HG2      ILE  30  -1.604  -6.952   1.554
  240   3HG2  ILE  30          3HG2      ILE  30  -2.620  -8.052   0.624
  241   1HD1  ILE  30          1HD1      ILE  30  -3.875  -4.107   1.229
  242   2HD1  ILE  30          2HD1      ILE  30  -2.456  -5.139   1.071
  243   3HD1  ILE  30          3HD1      ILE  30  -2.995  -4.622   2.668
  244    H    TYR  31           H        TYR  31  -4.207  -8.982   5.047
  245    HA   TYR  31           HA       TYR  31  -2.073 -10.819   4.907
  246   1HB   TYR  31          2HB       TYR  31  -3.914  -9.918   7.088
  247   2HB   TYR  31          1HB       TYR  31  -2.826 -11.272   7.366
  248    HD1  TYR  31           1HD      TYR  31  -2.075  -8.256   5.328
  249    HD2  TYR  31           2HD      TYR  31  -1.390 -10.319   8.984
  250    HE1  TYR  31           1HE      TYR  31  -0.263  -6.687   5.865
  251    HE2  TYR  31           2HE      TYR  31   0.423  -8.751   9.532
  252    HH   TYR  31           HH       TYR  31   1.985  -7.247   8.311
  253    H    ASN  32           H        ASN  32  -5.515 -11.324   4.622
  254    HA   ASN  32           HA       ASN  32  -5.049 -14.189   5.078
  255   1HB   ASN  32          2HB       ASN  32  -7.322 -14.509   5.510
  256   2HB   ASN  32          1HB       ASN  32  -6.961 -12.963   6.262
  257   1HD2  ASN  32          1HD2      ASN  32  -7.916 -11.118   5.493
  258   2HD2  ASN  32          2HD2      ASN  32  -9.163 -11.135   4.290
  259    H    GLU  33           H        GLU  33  -5.372 -12.011   2.481
  260    HA   GLU  33           HA       GLU  33  -5.977 -14.292   0.716
  261   1HB   GLU  33          2HB       GLU  33  -6.703 -12.580  -0.987
  262   2HB   GLU  33          1HB       GLU  33  -7.744 -12.740   0.416
  263   1HG   GLU  33          2HG       GLU  33  -6.410 -10.744   1.355
  264   2HG   GLU  33          1HG       GLU  33  -5.892 -10.512  -0.313
  265    H    ILE  34           H        ILE  34  -3.535 -12.343   1.743
  266    HA   ILE  34           HA       ILE  34  -1.940 -13.026  -0.630
  267    HB   ILE  34           HB       ILE  34  -1.957 -10.488   0.976
  268   1HG1  ILE  34          2HG1      ILE  34  -3.297 -10.633  -1.090
  269   2HG1  ILE  34          1HG1      ILE  34  -2.010  -9.437  -1.217
  270   1HG2  ILE  34          1HG2      ILE  34   0.162  -9.815  -0.001
  271   2HG2  ILE  34          2HG2      ILE  34   0.327 -11.393  -0.768
  272   3HG2  ILE  34          3HG2      ILE  34   0.365 -11.258   0.989
  273   1HD1  ILE  34          1HD1      ILE  34  -0.651 -11.120  -2.435
  274   2HD1  ILE  34          2HD1      ILE  34  -2.133 -10.651  -3.267
  275   3HD1  ILE  34          3HD1      ILE  34  -2.051 -12.194  -2.416
  276    H    SER  35           H        SER  35  -0.112 -14.113  -0.245
  277    HA   SER  35           HA       SER  35   0.444 -14.966   2.455
  278   1HB   SER  35          2HB       SER  35   1.872 -15.679  -0.116
  279   2HB   SER  35          1HB       SER  35   1.965 -16.543   1.421
  280    HG   SER  35           HG       SER  35  -0.294 -16.965   1.208
  281    H    LYS  36           H        LYS  36   2.606 -14.941   3.326
  282    HA   LYS  36           HA       LYS  36   3.798 -12.483   3.585
  283   1HB   LYS  36          2HB       LYS  36   5.107 -15.199   3.812
  284   2HB   LYS  36          1HB       LYS  36   5.753 -13.707   4.479
  285   1HG   LYS  36          2HG       LYS  36   4.110 -13.584   6.119
  286   2HG   LYS  36          1HG       LYS  36   3.034 -14.679   5.248
  287   1HD   LYS  36          2HD       LYS  36   4.496 -16.544   5.707
  288   2HD   LYS  36          1HD       LYS  36   5.670 -15.479   6.481
  289   1HE   LYS  36          2HE       LYS  36   2.838 -15.820   7.446
  290   2HE   LYS  36          1HE       LYS  36   4.184 -16.783   8.041
  291   1HZ   LYS  36          1HZ       LYS  36   3.783 -14.938   9.501
  292   2HZ   LYS  36          2HZ       LYS  36   3.919 -13.830   8.230
  293   3HZ   LYS  36          3HZ       LYS  36   5.272 -14.717   8.730
  294    H    ASP  37           H        ASP  37   4.655 -15.084   1.368
  295    HA   ASP  37           HA       ASP  37   6.979 -14.018   0.272
  296   1HB   ASP  37          2HB       ASP  37   4.886 -15.786  -1.005
  297   2HB   ASP  37          1HB       ASP  37   6.494 -15.498  -1.662
  298    H    ALA  38           H        ALA  38   3.653 -13.811  -0.966
  299    HA   ALA  38           HA       ALA  38   4.259 -12.233  -3.215
  300   1HB   ALA  38          1HB       ALA  38   1.657 -12.493  -1.715
  301   2HB   ALA  38          2HB       ALA  38   2.193 -13.505  -3.052
  302   3HB   ALA  38          3HB       ALA  38   1.844 -11.798  -3.323
  303    H    TRP  39           H        TRP  39   3.292 -11.405   0.071
  304    HA   TRP  39           HA       TRP  39   3.017  -8.627  -0.323
  305   1HB   TRP  39          2HB       TRP  39   2.121  -9.766   1.644
  306   2HB   TRP  39          1HB       TRP  39   3.747 -10.193   2.161
  307    HD1  TRP  39           HD       TRP  39   4.922  -8.540   3.745
  308    HE1  TRP  39           1HE      TRP  39   4.406  -6.178   4.625
  309    HE3  TRP  39           3HE      TRP  39   0.905  -7.423   0.781
  310    HZ2  TRP  39           2HZ      TRP  39   2.555  -4.111   4.124
  311    HZ3  TRP  39           3HZ      TRP  39  -0.178  -5.229   1.045
  312    HH2  TRP  39           HH       TRP  39   0.630  -3.610   2.684
  313    H    ALA  40           H        ALA  40   5.764 -10.626   0.703
  314    HA   ALA  40           HA       ALA  40   7.595  -8.527   1.112
  315   1HB   ALA  40          1HB       ALA  40   8.165 -11.368   0.269
  316   2HB   ALA  40          2HB       ALA  40   7.969 -10.803   1.928
  317   3HB   ALA  40          3HB       ALA  40   9.328 -10.233   0.958
  318    H    GLN  41           H        GLN  41   6.783 -10.415  -1.759
  319    HA   GLN  41           HA       GLN  41   8.718  -9.364  -3.484
  320   1HB   GLN  41          2HB       GLN  41   5.935 -10.380  -4.068
  321   2HB   GLN  41          1HB       GLN  41   7.107  -9.980  -5.314
  322   1HG   GLN  41          2HG       GLN  41   7.777 -11.948  -3.166
  323   2HG   GLN  41          1HG       GLN  41   6.832 -12.434  -4.572
  324   1HE2  GLN  41          1HE2      GLN  41   9.320 -10.004  -4.834
  325   2HE2  GLN  41          2HE2      GLN  41  10.442 -10.972  -5.714
  326    H    TRP  42           H        TRP  42   5.418  -8.250  -2.774
  327    HA   TRP  42           HA       TRP  42   5.477  -6.070  -4.547
  328   1HB   TRP  42          2HB       TRP  42   3.338  -6.757  -3.733
  329   2HB   TRP  42          1HB       TRP  42   3.837  -6.555  -2.055
  330    HD1  TRP  42           HD       TRP  42   2.491  -4.576  -1.125
  331    HE1  TRP  42           1HE      TRP  42   1.995  -2.172  -1.884
  332    HE3  TRP  42           3HE      TRP  42   4.594  -4.734  -5.789
  333    HZ2  TRP  42           2HZ      TRP  42   2.431  -0.558  -4.146
  334    HZ3  TRP  42           3HZ      TRP  42   4.510  -2.710  -7.180
  335    HH2  TRP  42           HH       TRP  42   3.452  -0.669  -6.374
  336    H    GLN  43           H        GLN  43   6.343  -6.314  -1.107
  337    HA   GLN  43           HA       GLN  43   6.755  -3.613  -0.606
  338   1HB   GLN  43          2HB       GLN  43   8.205  -6.005   0.524
  339   2HB   GLN  43          1HB       GLN  43   8.400  -4.369   1.135
  340   1HG   GLN  43          2HG       GLN  43   5.913  -4.347   1.537
  341   2HG   GLN  43          1HG       GLN  43   5.928  -6.077   1.182
  342   1HE2  GLN  43          1HE2      GLN  43   6.901  -3.598   3.406
  343   2HE2  GLN  43          2HE2      GLN  43   7.330  -4.649   4.710
  344    H    HIS  44           H        HIS  44   9.038  -5.991  -1.920
  345    HA   HIS  44           HA       HIS  44  11.180  -4.107  -2.053
  346   1HB   HIS  44          2HB       HIS  44  10.789  -6.868  -3.167
  347   2HB   HIS  44          1HB       HIS  44  12.199  -5.906  -3.603
  348    HD1  HIS  44           1HD      HIS  44  13.985  -5.528  -1.792
  349    HD2  HIS  44           2HD      HIS  44  10.739  -7.791  -0.516
  350    HE1  HIS  44           1HE      HIS  44  14.666  -6.497   0.424
  351    HE2  HIS  44           2HE      HIS  44  12.629  -7.729   1.250
  352    H    LYS  45           H        LYS  45   8.727  -5.225  -4.313
  353    HA   LYS  45           HA       LYS  45   9.711  -3.954  -6.623
  354   1HB   LYS  45          2HB       LYS  45   7.940  -5.588  -6.785
  355   2HB   LYS  45          1HB       LYS  45   6.886  -4.618  -5.770
  356   1HG   LYS  45          2HG       LYS  45   6.200  -4.453  -8.072
  357   2HG   LYS  45          1HG       LYS  45   6.808  -2.894  -7.517
  358   1HD   LYS  45          2HD       LYS  45   8.907  -3.256  -8.651
  359   2HD   LYS  45          1HD       LYS  45   8.418  -4.894  -9.102
  360   1HE   LYS  45          2HE       LYS  45   6.542  -3.924 -10.396
  361   2HE   LYS  45          1HE       LYS  45   7.140  -2.313 -10.008
  362   1HZ   LYS  45          1HZ       LYS  45   9.186  -2.831 -11.174
  363   2HZ   LYS  45          2HZ       LYS  45   7.853  -3.026 -12.194
  364   3HZ   LYS  45          3HZ       LYS  45   8.616  -4.384 -11.537
  365    H    GLN  46           H        GLN  46   7.494  -2.838  -4.089
  366    HA   GLN  46           HA       GLN  46   7.038  -0.270  -5.149
  367   1HB   GLN  46          2HB       GLN  46   5.609  -1.244  -3.411
  368   2HB   GLN  46          1HB       GLN  46   6.945  -1.200  -2.270
  369   1HG   GLN  46          2HG       GLN  46   5.439   0.625  -1.836
  370   2HG   GLN  46          1HG       GLN  46   6.977   1.252  -2.426
  371   1HE2  GLN  46          1HE2      GLN  46   7.079   2.164  -4.484
  372   2HE2  GLN  46          2HE2      GLN  46   5.658   2.659  -5.335
  373    H    THR  47           H        THR  47   9.433  -1.491  -2.838
  374    HA   THR  47           HA       THR  47  10.687   0.945  -2.235
  375    HB   THR  47           HB       THR  47  12.014  -1.772  -2.411
  376    HG1  THR  47           1HG      THR  47  10.118  -1.715  -1.037
  377   1HG2  THR  47          1HG2      THR  47  12.715   0.717  -0.848
  378   2HG2  THR  47          2HG2      THR  47  13.628   0.027  -2.192
  379   3HG2  THR  47          3HG2      THR  47  13.508  -0.846  -0.665
  380    H    MET  48           H        MET  48  11.397  -1.472  -4.740
  381    HA   MET  48           HA       MET  48  13.532  -0.161  -5.985
  382   1HB   MET  48          2HB       MET  48  12.854  -2.504  -6.450
  383   2HB   MET  48          1HB       MET  48  11.417  -1.908  -7.270
  384   1HG   MET  48          2HG       MET  48  13.078  -2.520  -8.891
  385   2HG   MET  48          1HG       MET  48  12.847  -0.773  -8.915
  386   1HE   MET  48          1HE       MET  48  15.161  -3.735  -7.859
  387   2HE   MET  48          2HE       MET  48  14.897  -2.949  -6.302
  388   3HE   MET  48          3HE       MET  48  16.493  -2.910  -7.051
  389    H    LEU  49           H        LEU  49  10.051   0.077  -6.486
  390    HA   LEU  49           HA       LEU  49  10.099   1.744  -8.752
  391   1HB   LEU  49          2HB       LEU  49   8.187   0.373  -7.506
  392   2HB   LEU  49          1HB       LEU  49   7.876   1.937  -6.781
  393    HG   LEU  49           HG       LEU  49   7.648   2.880  -9.088
  394   1HD1  LEU  49          1HD1      LEU  49   8.902   1.264 -10.344
  395   2HD1  LEU  49          2HD1      LEU  49   7.230   1.225 -10.903
  396   3HD1  LEU  49          3HD1      LEU  49   7.832  -0.039  -9.827
  397   1HD2  LEU  49          1HD2      LEU  49   5.781   0.631  -8.340
  398   2HD2  LEU  49          2HD2      LEU  49   5.414   1.940  -9.463
  399   3HD2  LEU  49          3HD2      LEU  49   5.694   2.293  -7.758
  400    H    ILE  50           H        ILE  50   9.904   2.460  -5.290
  401    HA   ILE  50           HA       ILE  50   9.656   5.258  -5.469
  402    HB   ILE  50           HB       ILE  50  10.905   3.534  -3.324
  403   1HG1  ILE  50          2HG1      ILE  50   8.241   4.968  -3.452
  404   2HG1  ILE  50          1HG1      ILE  50   8.481   3.245  -3.717
  405   1HG2  ILE  50          1HG2      ILE  50  10.276   6.483  -3.217
  406   2HG2  ILE  50          2HG2      ILE  50  11.882   5.755  -3.195
  407   3HG2  ILE  50          3HG2      ILE  50  10.777   5.491  -1.846
  408   1HD1  ILE  50          1HD1      ILE  50   9.019   4.729  -1.156
  409   2HD1  ILE  50          2HD1      ILE  50   9.265   3.001  -1.419
  410   3HD1  ILE  50          3HD1      ILE  50   7.640   3.682  -1.486
  411    H    ASN  51           H        ASN  51  12.502   3.174  -5.238
  412    HA   ASN  51           HA       ASN  51  14.408   5.297  -5.252
  413   1HB   ASN  51          2HB       ASN  51  14.837   3.041  -4.304
  414   2HB   ASN  51          1HB       ASN  51  14.768   2.366  -5.927
  415   1HD2  ASN  51          1HD2      ASN  51  16.821   1.601  -5.895
  416   2HD2  ASN  51          2HD2      ASN  51  18.219   2.615  -5.939
  417    H    GLU  52           H        GLU  52  12.665   3.576  -7.652
  418    HA   GLU  52           HA       GLU  52  14.398   4.087  -9.869
  419   1HB   GLU  52          2HB       GLU  52  12.798   2.205  -9.796
  420   2HB   GLU  52          1HB       GLU  52  11.465   3.346  -9.794
  421   1HG   GLU  52          2HG       GLU  52  12.380   4.182 -12.002
  422   2HG   GLU  52          1HG       GLU  52  13.396   2.740 -12.000
  423    H    LYS  53           H        LYS  53  11.127   5.277  -9.116
  424    HA   LYS  53           HA       LYS  53  11.390   7.310 -11.150
  425   1HB   LYS  53          2HB       LYS  53   9.094   6.894  -9.241
  426   2HB   LYS  53          1HB       LYS  53   9.061   7.734 -10.788
  427   1HG   LYS  53          2HG       LYS  53   9.594   5.571 -11.902
  428   2HG   LYS  53          1HG       LYS  53   9.435   4.780 -10.331
  429   1HD   LYS  53          2HD       LYS  53   7.106   5.686 -10.203
  430   2HD   LYS  53          1HD       LYS  53   7.298   6.265 -11.858
  431   1HE   LYS  53          2HE       LYS  53   7.455   3.395 -10.935
  432   2HE   LYS  53          1HE       LYS  53   6.124   4.134 -11.824
  433   1HZ   LYS  53          1HZ       LYS  53   7.457   2.926 -13.353
  434   2HZ   LYS  53          2HZ       LYS  53   8.887   3.639 -12.800
  435   3HZ   LYS  53          3HZ       LYS  53   7.748   4.566 -13.645
  436    H    LYS  54           H        LYS  54  11.945   7.073  -7.822
  437    HA   LYS  54           HA       LYS  54  12.534   8.520  -6.198
  438   1HB   LYS  54          2HB       LYS  54  13.025  10.366  -8.532
  439   2HB   LYS  54          1HB       LYS  54  13.493  10.722  -6.876
  440   1HG   LYS  54          2HG       LYS  54  14.469   8.372  -8.487
  441   2HG   LYS  54          1HG       LYS  54  15.350   9.879  -8.239
  442   1HD   LYS  54          2HD       LYS  54  15.270   9.453  -5.792
  443   2HD   LYS  54          1HD       LYS  54  14.537   7.884  -6.129
  444   1HE   LYS  54          2HE       LYS  54  16.502   7.251  -7.440
  445   2HE   LYS  54          1HE       LYS  54  17.237   8.815  -7.096
  446   1HZ   LYS  54          1HZ       LYS  54  17.171   8.244  -4.724
  447   2HZ   LYS  54          2HZ       LYS  54  18.111   7.159  -5.617
  448   3HZ   LYS  54          3HZ       LYS  54  16.562   6.713  -5.111
  449    H    LEU  55           H        LEU  55  10.361   8.450  -5.451
  450    HA   LEU  55           HA       LEU  55   8.901  10.962  -5.879
  451   1HB   LEU  55          2HB       LEU  55   6.957   9.769  -4.869
  452   2HB   LEU  55          1HB       LEU  55   7.507   9.092  -6.385
  453    HG   LEU  55           HG       LEU  55   8.807   7.406  -4.883
  454   1HD1  LEU  55          1HD1      LEU  55   6.659   8.332  -2.975
  455   2HD1  LEU  55          2HD1      LEU  55   8.398   8.520  -2.753
  456   3HD1  LEU  55          3HD1      LEU  55   7.680   6.910  -2.769
  457   1HD2  LEU  55          1HD2      LEU  55   5.809   7.331  -5.176
  458   2HD2  LEU  55          2HD2      LEU  55   6.845   5.940  -4.855
  459   3HD2  LEU  55          3HD2      LEU  55   6.989   6.815  -6.379
  460    H    ASN  56           H        ASN  56   8.128  12.121  -4.049
  461    HA   ASN  56           HA       ASN  56   9.712  11.608  -1.641
  462   1HB   ASN  56          2HB       ASN  56   9.447  13.911  -1.055
  463   2HB   ASN  56          1HB       ASN  56   9.896  13.863  -2.750
  464   1HD2  ASN  56          1HD2      ASN  56   8.598  15.949  -1.238
  465   2HD2  ASN  56          2HD2      ASN  56   7.079  16.254  -2.016
  466    H    MET  57           H        MET  57   8.678  11.682   0.443
  467    HA   MET  57           HA       MET  57   5.974  10.571   0.143
  468   1HB   MET  57          2HB       MET  57   7.814  10.016   2.456
  469   2HB   MET  57          1HB       MET  57   6.416   9.090   1.925
  470   1HG   MET  57          2HG       MET  57   7.772   8.741  -0.245
  471   2HG   MET  57          1HG       MET  57   9.152   9.233   0.729
  472   1HE   MET  57          1HE       MET  57   5.939   6.988   1.294
  473   2HE   MET  57          2HE       MET  57   6.679   5.390   1.188
  474   3HE   MET  57          3HE       MET  57   6.687   6.461  -0.214
  475    H    MET  58           H        MET  58   7.311  13.371   1.072
  476    HA   MET  58           HA       MET  58   5.633  13.820   3.392
  477   1HB   MET  58          2HB       MET  58   6.480  16.091   3.385
  478   2HB   MET  58          1HB       MET  58   7.818  14.971   3.201
  479   1HG   MET  58          2HG       MET  58   8.021  15.471   0.884
  480   2HG   MET  58          1HG       MET  58   6.517  16.388   0.894
  481   1HE   MET  58          1HE       MET  58  10.267  17.792   3.190
  482   2HE   MET  58          2HE       MET  58  10.182  16.245   2.349
  483   3HE   MET  58          3HE       MET  58   9.178  16.532   3.769
  484    H    ASN  59           H        ASN  59   5.336  13.954   0.017
  485    HA   ASN  59           HA       ASN  59   3.161  15.866  -0.001
  486   1HB   ASN  59          2HB       ASN  59   4.526  14.214  -2.113
  487   2HB   ASN  59          1HB       ASN  59   3.018  15.053  -2.456
  488   1HD2  ASN  59          1HD2      ASN  59   4.030  16.315  -3.998
  489   2HD2  ASN  59          2HD2      ASN  59   5.082  17.625  -3.560
  490    H    ALA  60           H        ALA  60   1.249  14.935  -1.571
  491    HA   ALA  60           HA       ALA  60   0.081  12.798   0.040
  492   1HB   ALA  60          1HB       ALA  60  -1.189  14.558  -2.054
  493   2HB   ALA  60          2HB       ALA  60  -1.218  14.845  -0.315
  494   3HB   ALA  60          3HB       ALA  60  -2.032  13.434  -0.988
  495    H    GLU  61           H        GLU  61   1.226  13.456  -3.161
  496    HA   GLU  61           HA       GLU  61  -0.147  11.747  -4.775
  497   1HB   GLU  61          2HB       GLU  61   2.812  12.344  -4.922
  498   2HB   GLU  61          1HB       GLU  61   1.837  11.707  -6.237
  499   1HG   GLU  61          2HG       GLU  61   1.923  13.935  -6.765
  500   2HG   GLU  61          1HG       GLU  61   0.413  13.848  -5.862
  501    H    HIS  62           H        HIS  62   2.594  10.854  -2.715
  502    HA   HIS  62           HA       HIS  62   3.027   8.314  -3.842
  503   1HB   HIS  62          2HB       HIS  62   4.447   7.845  -2.001
  504   2HB   HIS  62          1HB       HIS  62   4.599   9.575  -2.285
  505    HD1  HIS  62           1HD      HIS  62   3.454   7.085   0.229
  506    HD2  HIS  62           2HD      HIS  62   3.433  11.209  -0.282
  507    HE1  HIS  62           1HE      HIS  62   2.841   8.039   2.470
  508    HE2  HIS  62           2HE      HIS  62   2.902  10.535   2.163
  509    H    ARG  63           H        ARG  63   0.578   9.422  -1.658
  510    HA   ARG  63           HA       ARG  63   0.141   6.924  -0.354
  511   1HB   ARG  63          2HB       ARG  63  -0.559   8.937   0.767
  512   2HB   ARG  63          1HB       ARG  63  -1.601   9.383  -0.576
  513   1HG   ARG  63          2HG       ARG  63  -2.156   6.770   0.679
  514   2HG   ARG  63          1HG       ARG  63  -2.482   8.199   1.664
  515   1HD   ARG  63          2HD       ARG  63  -4.085   9.004   0.191
  516   2HD   ARG  63          1HD       ARG  63  -3.460   8.064  -1.161
  517    HE   ARG  63           HE       ARG  63  -4.366   6.069   0.070
  518   1HH1  ARG  63          1HH1      ARG  63  -5.731   9.252   0.588
  519   2HH1  ARG  63          2HH1      ARG  63  -7.328   8.652   0.906
  520   1HH2  ARG  63          1HH2      ARG  63  -6.474   5.273   0.446
  521   2HH2  ARG  63          2HH2      ARG  63  -7.749   6.392   0.843
  522    H    LYS  64           H        LYS  64  -1.764   8.659  -2.844
  523    HA   LYS  64           HA       LYS  64  -3.474   6.449  -3.275
  524   1HB   LYS  64          2HB       LYS  64  -4.300   7.633  -5.222
  525   2HB   LYS  64          1HB       LYS  64  -4.126   8.743  -3.873
  526   1HG   LYS  64          2HG       LYS  64  -2.061   9.608  -4.839
  527   2HG   LYS  64          1HG       LYS  64  -2.207   8.468  -6.180
  528   1HD   LYS  64          2HD       LYS  64  -4.349   9.505  -6.808
  529   2HD   LYS  64          1HD       LYS  64  -4.162  10.663  -5.492
  530   1HE   LYS  64          2HE       LYS  64  -2.109  11.502  -6.527
  531   2HE   LYS  64          1HE       LYS  64  -2.307  10.350  -7.847
  532   1HZ   LYS  64          1HZ       LYS  64  -4.219  12.516  -7.154
  533   2HZ   LYS  64          2HZ       LYS  64  -4.386  11.428  -8.437
  534   3HZ   LYS  64          3HZ       LYS  64  -3.126  12.552  -8.442
  535    H    LEU  65           H        LEU  65  -0.468   7.488  -4.775
  536    HA   LEU  65           HA       LEU  65  -0.459   5.745  -6.960
  537   1HB   LEU  65          2HB       LEU  65   1.140   7.596  -6.658
  538   2HB   LEU  65          1HB       LEU  65   1.893   6.722  -5.338
  539    HG   LEU  65           HG       LEU  65   2.570   4.946  -6.909
  540   1HD1  LEU  65          1HD1      LEU  65   2.384   5.358  -9.328
  541   2HD1  LEU  65          2HD1      LEU  65   1.375   6.765  -8.994
  542   3HD1  LEU  65          3HD1      LEU  65   0.814   5.152  -8.555
  543   1HD2  LEU  65          1HD2      LEU  65   4.108   6.762  -6.408
  544   2HD2  LEU  65          2HD2      LEU  65   3.419   7.726  -7.714
  545   3HD2  LEU  65          3HD2      LEU  65   4.289   6.237  -8.081
  546    H    LEU  66           H        LEU  66   0.878   5.300  -3.690
  547    HA   LEU  66           HA       LEU  66   1.784   2.667  -4.114
  548   1HB   LEU  66          2HB       LEU  66   2.522   4.145  -2.258
  549   2HB   LEU  66          1HB       LEU  66   0.950   3.954  -1.513
  550    HG   LEU  66           HG       LEU  66   2.584   1.507  -2.071
  551   1HD1  LEU  66          1HD1      LEU  66   2.953   3.336   0.300
  552   2HD1  LEU  66          2HD1      LEU  66   4.132   3.064  -0.983
  553   3HD1  LEU  66          3HD1      LEU  66   3.683   1.743   0.095
  554   1HD2  LEU  66          1HD2      LEU  66   0.690   2.285   0.148
  555   2HD2  LEU  66          2HD2      LEU  66   1.456   0.709  -0.059
  556   3HD2  LEU  66          3HD2      LEU  66   0.284   1.283  -1.246
  557    H    GLU  67           H        GLU  67  -1.263   3.963  -2.846
  558    HA   GLU  67           HA       GLU  67  -2.392   1.502  -2.093
  559   1HB   GLU  67          2HB       GLU  67  -3.253   3.705  -1.368
  560   2HB   GLU  67          1HB       GLU  67  -3.827   4.004  -3.004
  561   1HG   GLU  67          2HG       GLU  67  -5.363   2.146  -2.841
  562   2HG   GLU  67          1HG       GLU  67  -4.750   1.751  -1.237
  563    H    GLN  68           H        GLN  68  -2.523   3.311  -5.125
  564    HA   GLN  68           HA       GLN  68  -4.318   1.638  -6.478
  565   1HB   GLN  68          2HB       GLN  68  -2.115   3.433  -7.491
  566   2HB   GLN  68          1HB       GLN  68  -3.217   2.579  -8.557
  567   1HG   GLN  68          2HG       GLN  68  -5.102   3.761  -7.640
  568   2HG   GLN  68          1HG       GLN  68  -4.072   4.540  -6.441
  569   1HE2  GLN  68          1HE2      GLN  68  -5.051   4.468  -9.770
  570   2HE2  GLN  68          2HE2      GLN  68  -4.306   5.957 -10.228
  571    H    GLU  69           H        GLU  69  -0.762   1.709  -6.640
  572    HA   GLU  69           HA       GLU  69  -0.532  -0.541  -8.310
  573   1HB   GLU  69          2HB       GLU  69   1.421   0.758  -6.417
  574   2HB   GLU  69          1HB       GLU  69   1.855  -0.560  -7.498
  575   1HG   GLU  69          2HG       GLU  69   0.659   2.013  -8.474
  576   2HG   GLU  69          1HG       GLU  69   2.396   1.774  -8.280
  577    H    MET  70           H        MET  70  -0.503  -0.237  -4.788
  578    HA   MET  70           HA       MET  70   0.348  -2.815  -4.142
  579   1HB   MET  70          2HB       MET  70   0.204  -1.026  -2.486
  580   2HB   MET  70          1HB       MET  70  -1.547  -1.007  -2.637
  581   1HG   MET  70          2HG       MET  70  -1.679  -3.248  -1.722
  582   2HG   MET  70          1HG       MET  70   0.078  -3.332  -1.629
  583   1HE   MET  70          1HE       MET  70  -2.528  -0.511   0.937
  584   2HE   MET  70          2HE       MET  70  -3.162  -1.622  -0.277
  585   3HE   MET  70          3HE       MET  70  -2.221  -0.215  -0.774
  586    H    VAL  71           H        VAL  71  -3.006  -1.603  -4.292
  587    HA   VAL  71           HA       VAL  71  -4.129  -4.147  -3.748
  588    HB   VAL  71           HB       VAL  71  -5.473  -1.770  -5.044
  589   1HG1  VAL  71          1HG1      VAL  71  -6.750  -3.832  -5.302
  590   2HG1  VAL  71          2HG1      VAL  71  -7.548  -2.731  -4.177
  591   3HG1  VAL  71          3HG1      VAL  71  -6.649  -4.120  -3.565
  592   1HG2  VAL  71          1HG2      VAL  71  -5.262  -2.517  -2.130
  593   2HG2  VAL  71          2HG2      VAL  71  -6.225  -1.193  -2.786
  594   3HG2  VAL  71          3HG2      VAL  71  -4.466  -1.152  -2.915
  595    H    SER  72           H        SER  72  -3.169  -2.547  -6.700
  596    HA   SER  72           HA       SER  72  -4.626  -4.312  -8.428
  597   1HB   SER  72          2HB       SER  72  -3.913  -1.964  -9.023
  598   2HB   SER  72          1HB       SER  72  -2.264  -2.573  -9.164
  599    HG   SER  72           HG       SER  72  -2.748  -3.338 -11.050
  600    H    PHE  73           H        PHE  73  -1.301  -4.111  -7.244
  601    HA   PHE  73           HA       PHE  73  -0.301  -6.229  -8.853
  602   1HB   PHE  73          2HB       PHE  73   1.120  -4.467  -7.849
  603   2HB   PHE  73          1HB       PHE  73   0.770  -5.111  -6.251
  604    HD1  PHE  73           1HD      PHE  73   1.892  -7.055  -5.426
  605    HD2  PHE  73           2HD      PHE  73   2.528  -5.721  -9.417
  606    HE1  PHE  73           1HE      PHE  73   3.838  -8.548  -5.612
  607    HE2  PHE  73           2HE      PHE  73   4.475  -7.214  -9.609
  608    HZ   PHE  73           HZ       PHE  73   5.131  -8.631  -7.705
  609    H    LEU  74           H        LEU  74  -1.644  -6.040  -5.606
  610    HA   LEU  74           HA       LEU  74  -0.964  -8.793  -5.041
  611   1HB   LEU  74          2HB       LEU  74  -2.409  -6.694  -3.436
  612   2HB   LEU  74          1HB       LEU  74  -2.074  -8.313  -2.854
  613    HG   LEU  74           HG       LEU  74   0.034  -6.304  -3.658
  614   1HD1  LEU  74          1HD1      LEU  74  -1.141  -5.571  -1.669
  615   2HD1  LEU  74          2HD1      LEU  74   0.482  -6.125  -1.256
  616   3HD1  LEU  74          3HD1      LEU  74  -0.912  -7.154  -0.927
  617   1HD2  LEU  74          1HD2      LEU  74   0.253  -8.999  -2.315
  618   2HD2  LEU  74          2HD2      LEU  74   1.582  -7.865  -2.558
  619   3HD2  LEU  74          3HD2      LEU  74   0.781  -8.597  -3.949
  620    H    PHE  75           H        PHE  75  -3.959  -6.912  -5.530
  621    HA   PHE  75           HA       PHE  75  -5.482  -9.394  -5.208
  622   1HB   PHE  75          2HB       PHE  75  -6.124  -7.332  -3.917
  623   2HB   PHE  75          1HB       PHE  75  -6.576  -6.584  -5.449
  624    HD1  PHE  75           1HD      PHE  75  -7.283  -9.529  -3.297
  625    HD2  PHE  75           2HD      PHE  75  -8.717  -6.888  -6.309
  626    HE1  PHE  75           1HE      PHE  75  -9.517 -10.542  -3.114
  627    HE2  PHE  75           2HE      PHE  75 -10.956  -7.894  -6.132
  628    HZ   PHE  75           HZ       PHE  75 -11.358  -9.724  -4.531
  629    H    GLU  76           H        GLU  76  -4.626  -7.018  -7.616
  630    HA   GLU  76           HA       GLU  76  -5.036  -6.827  -9.843
  631   1HB   GLU  76          2HB       GLU  76  -5.390  -9.765  -9.394
  632   2HB   GLU  76          1HB       GLU  76  -5.760  -9.082 -10.969
  633   1HG   GLU  76          2HG       GLU  76  -3.127  -8.550  -9.648
  634   2HG   GLU  76          1HG       GLU  76  -3.408 -10.036 -10.555
  635    H    GLY  77           H        GLY  77  -7.167  -6.246  -7.985
  636   1HA   GLY  77          2HA       GLY  77  -9.343  -6.210  -9.911
  637   2HA   GLY  77          1HA       GLY  77  -9.674  -7.056  -8.406
  638    H    LYS  78           H        LYS  78  -8.858  -3.952  -9.821
  639    HA   LYS  78           HA       LYS  78  -9.764  -2.651  -7.342
  640   1HB   LYS  78          2HB       LYS  78  -7.870  -1.756  -9.490
  641   2HB   LYS  78          1HB       LYS  78  -8.633  -0.608  -8.404
  642   1HG   LYS  78          2HG       LYS  78  -7.649  -1.893  -6.501
  643   2HG   LYS  78          1HG       LYS  78  -6.752  -2.833  -7.697
  644   1HD   LYS  78          2HD       LYS  78  -5.366  -1.028  -6.851
  645   2HD   LYS  78          1HD       LYS  78  -5.740  -0.762  -8.552
  646   1HE   LYS  78          2HE       LYS  78  -5.928   1.312  -7.301
  647   2HE   LYS  78          1HE       LYS  78  -7.499   0.824  -7.916
  648   1HZ   LYS  78          1HZ       LYS  78  -8.083  -0.006  -5.740
  649   2HZ   LYS  78          2HZ       LYS  78  -7.586   1.605  -5.606
  650   3HZ   LYS  78          3HZ       LYS  78  -6.544   0.361  -5.142
  651    H    ASP  79           H        ASP  79 -10.692  -0.441  -7.745
  652    HA   ASP  79           HA       ASP  79 -12.528  -0.468 -10.040
  653   1HB   ASP  79          2HB       ASP  79 -12.693   1.425  -7.696
  654   2HB   ASP  79          1HB       ASP  79 -13.968   0.961  -8.814
  655    H    VAL  80           H        VAL  80 -10.217   1.426  -8.221
  656    HA   VAL  80           HA       VAL  80 -10.240   3.691  -9.965
  657    HB   VAL  80           HB       VAL  80  -8.125   2.922  -7.941
  658   1HG1  VAL  80          1HG1      VAL  80  -8.859   5.592  -9.141
  659   2HG1  VAL  80          2HG1      VAL  80  -7.406   4.653  -9.488
  660   3HG1  VAL  80          3HG1      VAL  80  -7.656   5.332  -7.880
  661   1HG2  VAL  80          1HG2      VAL  80  -9.316   4.333  -6.344
  662   2HG2  VAL  80          2HG2      VAL  80 -10.322   2.986  -6.874
  663   3HG2  VAL  80          3HG2      VAL  80 -10.596   4.602  -7.524
  664    H    HIS  81           H        HIS  81  -9.430   3.607 -11.955
  665    HA   HIS  81           HA       HIS  81  -7.517   1.763 -12.910
  666   1HB   HIS  81          2HB       HIS  81  -8.657   4.342 -13.901
  667   2HB   HIS  81          1HB       HIS  81  -7.210   3.719 -14.678
  668    HD1  HIS  81           1HD      HIS  81  -8.084   2.949 -16.853
  669    HD2  HIS  81           2HD      HIS  81 -10.378   1.576 -13.662
  670    HE1  HIS  81           1HE      HIS  81  -9.751   1.343 -17.852
  671    HE2  HIS  81           2HE      HIS  81 -11.125   0.521 -15.904
  672    H    ILE  82           H        ILE  82  -5.290   2.008 -13.302
  673    HA   ILE  82           HA       ILE  82  -4.009   4.144 -11.747
  674    HB   ILE  82           HB       ILE  82  -2.599   1.765 -12.950
  675   1HG1  ILE  82          2HG1      ILE  82  -3.873   1.987 -10.211
  676   2HG1  ILE  82          1HG1      ILE  82  -4.378   0.905 -11.505
  677   1HG2  ILE  82          1HG2      ILE  82  -1.928   3.608 -10.652
  678   2HG2  ILE  82          2HG2      ILE  82  -1.182   3.618 -12.251
  679   3HG2  ILE  82          3HG2      ILE  82  -0.955   2.235 -11.180
  680   1HD1  ILE  82          1HD1      ILE  82  -2.298  -0.312 -11.341
  681   2HD1  ILE  82          2HD1      ILE  82  -3.083  -0.233  -9.764
  682   3HD1  ILE  82          3HD1      ILE  82  -1.709   0.815 -10.117
  683    H    GLU  83           H        GLU  83  -4.299   5.783 -13.254
  684    HA   GLU  83           HA       GLU  83  -2.469   5.725 -15.533
  685   1HB   GLU  83          2HB       GLU  83  -5.411   6.413 -15.734
  686   2HB   GLU  83          1HB       GLU  83  -4.232   6.774 -16.983
  687   1HG   GLU  83          2HG       GLU  83  -3.807   4.421 -17.318
  688   2HG   GLU  83          1HG       GLU  83  -4.889   4.013 -15.988
  689    H    GLY  84           H        GLY  84  -4.478   7.445 -13.272
  690   1HA   GLY  84          2HA       GLY  84  -3.458   9.431 -12.229
  691   2HA   GLY  84          1HA       GLY  84  -2.983   9.921 -13.851
  692    H    TYR  85           H        TYR  85  -5.290   9.316 -15.235
  693    HA   TYR  85           HA       TYR  85  -7.554  10.567 -13.969
  694   1HB   TYR  85          2HB       TYR  85  -7.758  12.403 -15.566
  695   2HB   TYR  85          1HB       TYR  85  -6.229  12.524 -14.708
  696    HD1  TYR  85           1HD      TYR  85  -4.109  11.814 -15.895
  697    HD2  TYR  85           2HD      TYR  85  -7.830  12.244 -17.921
  698    HE1  TYR  85           1HE      TYR  85  -2.921  11.936 -18.044
  699    HE2  TYR  85           2HE      TYR  85  -6.648  12.362 -20.071
  700    HH   TYR  85           HH       TYR  85  -4.313  13.043 -20.842
  701    H    THR  86           H        THR  86  -9.488  10.290 -15.197
  702    HA   THR  86           HA       THR  86  -9.219   8.723 -17.656
  703    HB   THR  86           HB       THR  86  -9.614   7.028 -16.001
  704    HG1  THR  86           1HG      THR  86 -12.028   7.655 -17.396
  705   1HG2  THR  86          1HG2      THR  86 -12.027   8.620 -15.128
  706   2HG2  THR  86          2HG2      THR  86 -10.530   8.438 -14.214
  707   3HG2  THR  86          3HG2      THR  86 -11.554   7.036 -14.521
  708    HA   PRO  87           HA       PRO  87 -12.355  11.647 -18.976
  709   1HB   PRO  87          2HB       PRO  87 -12.690   9.852 -21.274
  710   2HB   PRO  87          1HB       PRO  87 -12.160  11.535 -21.241
  711   1HG   PRO  87          2HG       PRO  87 -10.475   9.515 -21.808
  712   2HG   PRO  87          1HG       PRO  87  -9.946  10.970 -20.943
  713   1HD   PRO  87          2HD       PRO  87 -10.605   8.254 -19.863
  714   2HD   PRO  87          1HD       PRO  87  -9.286   9.358 -19.418
  715    H    GLU  88           H        GLU  88 -14.601  11.274 -20.126
  716    HA   GLU  88           HA       GLU  88 -16.743  10.626 -19.896
  717   1HB   GLU  88          2HB       GLU  88 -15.487   7.930 -19.380
  718   2HB   GLU  88          1HB       GLU  88 -17.214   8.191 -19.582
  719   1HG   GLU  88          2HG       GLU  88 -15.078   8.730 -21.631
  720   2HG   GLU  88          1HG       GLU  88 -16.234   7.398 -21.639
  721    H    ASP  89           H        ASP  89 -16.763  12.043 -18.046
  722    HA   ASP  89           HA       ASP  89 -17.064  10.633 -15.496
  723   1HB   ASP  89          2HB       ASP  89 -16.646  13.513 -16.217
  724   2HB   ASP  89          1HB       ASP  89 -17.391  13.101 -14.677
  725    H    LYS  90           H        LYS  90 -19.010  10.211 -14.695
  726    HA   LYS  90           HA       LYS  90 -21.334  11.395 -16.037
  727   1HB   LYS  90          2HB       LYS  90 -22.629   9.570 -14.966
  728   2HB   LYS  90          1HB       LYS  90 -21.361   8.979 -16.029
  729   1HG   LYS  90          2HG       LYS  90 -19.989   8.367 -14.176
  730   2HG   LYS  90          1HG       LYS  90 -21.067   9.180 -13.040
  731   1HD   LYS  90          2HD       LYS  90 -21.409   6.765 -12.980
  732   2HD   LYS  90          1HD       LYS  90 -22.846   7.585 -13.589
  733   1HE   LYS  90          2HE       LYS  90 -22.075   7.081 -15.901
  734   2HE   LYS  90          1HE       LYS  90 -20.756   6.137 -15.211
  735   1HZ   LYS  90          1HZ       LYS  90 -22.416   4.725 -14.132
  736   2HZ   LYS  90          2HZ       LYS  90 -22.582   4.708 -15.812
  737   3HZ   LYS  90          3HZ       LYS  90 -23.657   5.606 -14.866
  738    H    LYS  91           H        LYS  91 -22.980  12.389 -14.859
  739    HA   LYS  91           HA       LYS  91 -22.062  13.552 -12.356
  740   1HB   LYS  91          2HB       LYS  91 -24.582  14.140 -13.921
  741   2HB   LYS  91          1HB       LYS  91 -23.938  15.091 -12.594
  742   1HG   LYS  91          2HG       LYS  91 -22.701  14.720 -15.317
  743   2HG   LYS  91          1HG       LYS  91 -23.466  16.179 -14.689
  744   1HD   LYS  91          2HD       LYS  91 -20.966  14.889 -13.599
  745   2HD   LYS  91          1HD       LYS  91 -21.019  16.329 -14.613
  746   1HE   LYS  91          2HE       LYS  91 -22.307  17.492 -12.879
  747   2HE   LYS  91          1HE       LYS  91 -22.234  16.051 -11.864
  748   1HZ   LYS  91          1HZ       LYS  91 -19.881  17.600 -12.802
  749   2HZ   LYS  91          2HZ       LYS  91 -19.842  16.257 -11.774
  750   3HZ   LYS  91          3HZ       LYS  91 -20.559  17.699 -11.256
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  -2.015 -23.893  13.166
    2   2H    MET   1          2HT       MET   1  -1.293 -22.467  13.713
    3   3H    MET   1          3HT       MET   1  -1.371 -23.815  14.728
    4    HA   MET   1           HA       MET   1   0.838 -23.532  13.850
    5   1HB   MET   1          2HB       MET   1  -0.649 -25.910  12.720
    6   2HB   MET   1          1HB       MET   1   1.100 -25.787  12.825
    7   1HG   MET   1          2HG       MET   1   0.946 -25.661  15.254
    8   2HG   MET   1          1HG       MET   1  -0.809 -25.781  15.149
    9   1HE   MET   1          1HE       MET   1  -1.152 -27.939  12.773
   10   2HE   MET   1          2HE       MET   1  -2.091 -27.897  14.264
   11   3HE   MET   1          3HE       MET   1  -1.314 -29.394  13.755
   12    H    SER   2           H        SER   2  -0.106 -25.305  11.080
   13    HA   SER   2           HA       SER   2   1.087 -23.307   9.380
   14   1HB   SER   2          2HB       SER   2  -0.071 -26.015   8.683
   15   2HB   SER   2          1HB       SER   2   0.939 -25.012   7.638
   16    HG   SER   2           HG       SER   2   2.670 -25.391   8.909
   17    H    ARG   3           H        ARG   3  -0.332 -21.614   9.257
   18    HA   ARG   3           HA       ARG   3  -3.122 -22.034   8.662
   19   1HB   ARG   3          2HB       ARG   3  -2.355 -20.155  10.087
   20   2HB   ARG   3          1HB       ARG   3  -1.501 -19.476   8.708
   21   1HG   ARG   3          2HG       ARG   3  -3.703 -19.319   7.528
   22   2HG   ARG   3          1HG       ARG   3  -4.472 -19.784   9.047
   23   1HD   ARG   3          2HD       ARG   3  -2.708 -17.375   8.631
   24   2HD   ARG   3          1HD       ARG   3  -4.466 -17.354   8.734
   25    HE   ARG   3           HE       ARG   3  -3.876 -18.464  11.056
   26   1HH1  ARG   3          1HH1      ARG   3  -2.355 -15.736   9.450
   27   2HH1  ARG   3          2HH1      ARG   3  -1.918 -14.949  10.933
   28   1HH2  ARG   3          1HH2      ARG   3  -3.307 -17.433  13.001
   29   2HH2  ARG   3          2HH2      ARG   3  -2.463 -15.923  12.964
   30    H    THR   4           H        THR   4  -3.734 -22.584   6.678
   31    HA   THR   4           HA       THR   4  -2.214 -21.542   4.384
   32    HB   THR   4           HB       THR   4  -3.376 -23.430   3.134
   33    HG1  THR   4           1HG      THR   4  -4.944 -24.231   4.354
   34   1HG2  THR   4          1HG2      THR   4  -1.810 -25.132   3.952
   35   2HG2  THR   4          2HG2      THR   4  -1.512 -24.163   5.395
   36   3HG2  THR   4          3HG2      THR   4  -1.031 -23.557   3.809
   37    H    ILE   5           H        ILE   5  -3.152 -20.164   3.045
   38    HA   ILE   5           HA       ILE   5  -6.088 -20.061   2.917
   39    HB   ILE   5           HB       ILE   5  -5.867 -17.589   2.447
   40   1HG1  ILE   5          2HG1      ILE   5  -3.797 -16.580   3.648
   41   2HG1  ILE   5          1HG1      ILE   5  -3.055 -18.149   3.367
   42   1HG2  ILE   5          1HG2      ILE   5  -5.090 -18.580   5.183
   43   2HG2  ILE   5          2HG2      ILE   5  -6.728 -18.410   4.551
   44   3HG2  ILE   5          3HG2      ILE   5  -5.734 -16.979   4.824
   45   1HD1  ILE   5          1HD1      ILE   5  -4.108 -16.281   1.255
   46   2HD1  ILE   5          2HD1      ILE   5  -3.378 -17.859   0.963
   47   3HD1  ILE   5          3HD1      ILE   5  -2.413 -16.558   1.662
   48    H    PHE   6           H        PHE   6  -6.740 -18.780   0.838
   49    HA   PHE   6           HA       PHE   6  -5.126 -19.843  -1.359
   50   1HB   PHE   6          2HB       PHE   6  -7.974 -18.862  -1.226
   51   2HB   PHE   6          1HB       PHE   6  -7.151 -19.132  -2.757
   52    HD1  PHE   6           1HD      PHE   6  -6.087 -21.468  -3.080
   53    HD2  PHE   6           2HD      PHE   6  -9.132 -20.600  -0.233
   54    HE1  PHE   6           1HE      PHE   6  -6.699 -23.847  -3.017
   55    HE2  PHE   6           2HE      PHE   6  -9.748 -22.980  -0.167
   56    HZ   PHE   6           HZ       PHE   6  -8.531 -24.608  -1.557
   57    H    CYS   7           H        CYS   7  -3.546 -18.469  -1.853
   58    HA   CYS   7           HA       CYS   7  -3.864 -15.633  -1.590
   59   1HB   CYS   7          2HB       CYS   7  -1.688 -16.762  -1.204
   60   2HB   CYS   7          1HB       CYS   7  -1.621 -17.179  -2.911
   61    HG   CYS   7           HG       CYS   7  -2.052 -13.913  -2.304
   62    H    THR   8           H        THR   8  -4.456 -14.203  -3.081
   63    HA   THR   8           HA       THR   8  -5.781 -14.999  -5.414
   64    HB   THR   8           HB       THR   8  -5.558 -12.472  -5.975
   65    HG1  THR   8           1HG      THR   8  -4.373 -11.343  -4.631
   66   1HG2  THR   8          1HG2      THR   8  -7.572 -13.467  -5.061
   67   2HG2  THR   8          2HG2      THR   8  -7.257 -11.924  -4.270
   68   3HG2  THR   8          3HG2      THR   8  -6.884 -13.437  -3.439
   69    H    TYR   9           H        TYR   9  -2.575 -13.569  -4.978
   70    HA   TYR   9           HA       TYR   9  -2.040 -13.312  -7.750
   71   1HB   TYR   9          2HB       TYR   9  -0.954 -11.933  -6.001
   72   2HB   TYR   9          1HB       TYR   9  -0.099 -13.361  -5.431
   73    HD1  TYR   9           1HD      TYR   9   1.981 -13.932  -6.352
   74    HD2  TYR   9           2HD      TYR   9  -0.531 -11.194  -8.425
   75    HE1  TYR   9           1HE      TYR   9   3.797 -13.484  -7.949
   76    HE2  TYR   9           2HE      TYR   9   1.278 -10.744 -10.030
   77    HH   TYR   9           HH       TYR   9   4.062 -12.683 -10.244
   78    H    LEU  10           H        LEU  10  -1.877 -15.979  -5.602
   79    HA   LEU  10           HA       LEU  10   0.008 -17.380  -7.366
   80   1HB   LEU  10          2HB       LEU  10  -0.869 -18.089  -4.569
   81   2HB   LEU  10          1HB       LEU  10   0.310 -18.970  -5.522
   82    HG   LEU  10           HG       LEU  10   0.614 -16.141  -4.503
   83   1HD1  LEU  10          1HD1      LEU  10   1.988 -18.702  -3.710
   84   2HD1  LEU  10          2HD1      LEU  10   0.803 -17.818  -2.750
   85   3HD1  LEU  10          3HD1      LEU  10   2.370 -17.091  -3.100
   86   1HD2  LEU  10          1HD2      LEU  10   2.910 -16.318  -5.352
   87   2HD2  LEU  10          2HD2      LEU  10   1.720 -16.406  -6.649
   88   3HD2  LEU  10          3HD2      LEU  10   2.513 -17.875  -6.080
   89    H    GLN  11           H        GLN  11  -3.237 -17.444  -6.103
   90    HA   GLN  11           HA       GLN  11  -5.086 -18.647  -6.642
   91   1HB   GLN  11          2HB       GLN  11  -3.381 -19.562  -8.964
   92   2HB   GLN  11          1HB       GLN  11  -5.083 -19.957  -8.778
   93   1HG   GLN  11          2HG       GLN  11  -4.018 -17.150  -8.942
   94   2HG   GLN  11          1HG       GLN  11  -4.610 -18.067 -10.323
   95   1HE2  GLN  11          1HE2      GLN  11  -5.454 -16.318  -7.472
   96   2HE2  GLN  11          2HE2      GLN  11  -7.163 -16.310  -7.732
   97    H    ARG  12           H        ARG  12  -2.863 -19.711  -4.977
   98    HA   ARG  12           HA       ARG  12  -3.675 -22.522  -4.955
   99   1HB   ARG  12          2HB       ARG  12  -0.815 -21.547  -5.004
  100   2HB   ARG  12          1HB       ARG  12  -1.287 -23.186  -4.589
  101   1HG   ARG  12          2HG       ARG  12  -2.101 -23.595  -6.787
  102   2HG   ARG  12          1HG       ARG  12  -1.921 -21.895  -7.229
  103   1HD   ARG  12          2HD       ARG  12  -0.117 -23.353  -8.110
  104   2HD   ARG  12          1HD       ARG  12   0.470 -22.053  -7.073
  105    HE   ARG  12           HE       ARG  12   0.259 -24.051  -5.320
  106   1HH1  ARG  12          1HH1      ARG  12   1.650 -23.974  -8.527
  107   2HH1  ARG  12          2HH1      ARG  12   2.814 -25.213  -8.191
  108   1HH2  ARG  12          1HH2      ARG  12   1.789 -25.675  -4.861
  109   2HH2  ARG  12          2HH2      ARG  12   2.892 -26.193  -6.096
  110    H    ASP  13           H        ASP  13  -2.464 -23.580  -2.956
  111    HA   ASP  13           HA       ASP  13  -3.312 -22.205  -0.618
  112   1HB   ASP  13          2HB       ASP  13  -1.682 -24.713  -1.038
  113   2HB   ASP  13          1HB       ASP  13  -2.101 -24.107   0.555
  114    H    ALA  14           H        ALA  14  -2.251 -20.764   0.546
  115    HA   ALA  14           HA       ALA  14   0.684 -20.758   0.518
  116   1HB   ALA  14          1HB       ALA  14  -1.035 -18.313   0.117
  117   2HB   ALA  14          2HB       ALA  14  -0.049 -19.098  -1.116
  118   3HB   ALA  14          3HB       ALA  14   0.722 -18.332   0.272
  119    H    GLU  15           H        GLU  15   1.420 -18.999   2.242
  120    HA   GLU  15           HA       GLU  15   0.322 -19.923   4.725
  121   1HB   GLU  15          2HB       GLU  15   2.761 -19.444   4.309
  122   2HB   GLU  15          1HB       GLU  15   2.359 -17.732   4.297
  123   1HG   GLU  15          2HG       GLU  15   1.431 -18.031   6.602
  124   2HG   GLU  15          1HG       GLU  15   2.106 -19.659   6.591
  125    H    GLY  16           H        GLY  16  -0.785 -18.744   6.261
  126   1HA   GLY  16          2HA       GLY  16  -2.484 -16.685   5.155
  127   2HA   GLY  16          1HA       GLY  16  -2.654 -17.448   6.723
  128    H    GLN  17           H        GLN  17   0.262 -15.900   5.580
  129    HA   GLN  17           HA       GLN  17   1.332 -13.990   6.051
  130   1HB   GLN  17          2HB       GLN  17  -1.476 -13.291   5.823
  131   2HB   GLN  17          1HB       GLN  17  -0.559 -12.132   6.778
  132   1HG   GLN  17          2HG       GLN  17   0.283 -13.082   4.059
  133   2HG   GLN  17          1HG       GLN  17  -0.693 -11.644   4.337
  134   1HE2  GLN  17          1HE2      GLN  17   0.890 -10.358   3.421
  135   2HE2  GLN  17          2HE2      GLN  17   2.346  -9.964   4.261
  136    H    ASP  18           H        ASP  18   0.813 -11.879   7.724
  137    HA   ASP  18           HA       ASP  18   1.866 -13.022  10.179
  138   1HB   ASP  18          2HB       ASP  18   2.716 -10.984   8.648
  139   2HB   ASP  18          1HB       ASP  18   1.679 -10.087   9.752
  140    H    PHE  19           H        PHE  19   1.266 -10.628  11.726
  141    HA   PHE  19           HA       PHE  19  -1.611 -11.077  12.224
  142   1HB   PHE  19          2HB       PHE  19   0.549 -10.498  14.263
  143   2HB   PHE  19          1HB       PHE  19  -1.154 -10.772  14.609
  144    HD1  PHE  19           1HD      PHE  19  -2.131 -13.012  14.320
  145    HD2  PHE  19           2HD      PHE  19   2.038 -12.308  13.842
  146    HE1  PHE  19           1HE      PHE  19  -1.704 -15.426  14.519
  147    HE2  PHE  19           2HE      PHE  19   2.473 -14.722  14.037
  148    HZ   PHE  19           HZ       PHE  19   0.597 -16.283  14.375
  149    H    GLN  20           H        GLN  20  -2.395  -9.215  13.800
  150    HA   GLN  20           HA       GLN  20  -2.081  -6.752  12.355
  151   1HB   GLN  20          2HB       GLN  20  -3.671  -7.486  14.813
  152   2HB   GLN  20          1HB       GLN  20  -3.697  -5.889  14.080
  153   1HG   GLN  20          2HG       GLN  20  -4.366  -8.330  12.481
  154   2HG   GLN  20          1HG       GLN  20  -5.569  -7.550  13.505
  155   1HE2  GLN  20          1HE2      GLN  20  -3.559  -7.217  10.678
  156   2HE2  GLN  20          2HE2      GLN  20  -4.390  -5.856  10.014
  157    H    LEU  21           H        LEU  21   0.056  -6.171  12.673
  158    HA   LEU  21           HA       LEU  21   0.827  -5.497  15.422
  159   1HB   LEU  21          2HB       LEU  21   3.178  -5.378  14.253
  160   2HB   LEU  21          1HB       LEU  21   2.497  -6.902  14.782
  161    HG   LEU  21           HG       LEU  21   1.702  -7.275  12.422
  162   1HD1  LEU  21          1HD1      LEU  21   1.755  -4.945  11.672
  163   2HD1  LEU  21          2HD1      LEU  21   2.720  -5.997  10.635
  164   3HD1  LEU  21          3HD1      LEU  21   3.514  -4.945  11.812
  165   1HD2  LEU  21          1HD2      LEU  21   4.669  -6.945  12.827
  166   2HD2  LEU  21          2HD2      LEU  21   3.894  -7.948  11.600
  167   3HD2  LEU  21          3HD2      LEU  21   3.706  -8.341  13.308
  168    H    TYR  22           H        TYR  22  -0.039  -4.117  12.455
  169    HA   TYR  22           HA       TYR  22   0.528  -1.483  13.413
  170   1HB   TYR  22          2HB       TYR  22   2.721  -2.082  12.477
  171   2HB   TYR  22          1HB       TYR  22   1.974  -2.404  10.921
  172    HD1  TYR  22           1HD      TYR  22   2.249   0.336  13.441
  173    HD2  TYR  22           2HD      TYR  22   1.996  -0.727   9.330
  174    HE1  TYR  22           1HE      TYR  22   2.575   2.691  12.820
  175    HE2  TYR  22           2HE      TYR  22   2.321   1.627   8.695
  176    HH   TYR  22           HH       TYR  22   1.953   3.894   9.766
  177    HA   PRO  23           HA       PRO  23  -2.134  -1.158   9.472
  178   1HB   PRO  23          2HB       PRO  23  -2.558  -3.767   8.308
  179   2HB   PRO  23          1HB       PRO  23  -1.797  -2.354   7.578
  180   1HG   PRO  23          2HG       PRO  23  -0.438  -4.637   8.201
  181   2HG   PRO  23          1HG       PRO  23   0.311  -3.029   8.158
  182   1HD   PRO  23          2HD       PRO  23  -0.678  -4.599  10.518
  183   2HD   PRO  23          1HD       PRO  23   0.819  -3.664  10.339
  184    H    GLY  24           H        GLY  24  -4.417  -1.303   9.305
  185   1HA   GLY  24          2HA       GLY  24  -5.627  -2.904  11.447
  186   2HA   GLY  24          1HA       GLY  24  -6.360  -1.514  10.658
  187    H    GLU  25           H        GLU  25  -8.186  -2.227   9.776
  188    HA   GLU  25           HA       GLU  25  -8.644  -4.872   8.944
  189   1HB   GLU  25          2HB       GLU  25 -10.143  -2.343   8.269
  190   2HB   GLU  25          1HB       GLU  25 -10.717  -3.966   7.915
  191   1HG   GLU  25          2HG       GLU  25 -10.204  -2.809  10.644
  192   2HG   GLU  25          1HG       GLU  25 -11.776  -3.107   9.907
  193    H    LEU  26           H        LEU  26  -7.376  -2.098   7.283
  194    HA   LEU  26           HA       LEU  26  -7.773  -2.968   4.630
  195   1HB   LEU  26          2HB       LEU  26  -7.120  -0.675   5.210
  196   2HB   LEU  26          1HB       LEU  26  -5.563  -1.253   5.772
  197    HG   LEU  26           HG       LEU  26  -5.023  -1.988   3.475
  198   1HD1  LEU  26          1HD1      LEU  26  -7.267  -2.390   2.649
  199   2HD1  LEU  26          2HD1      LEU  26  -6.426  -1.234   1.613
  200   3HD1  LEU  26          3HD1      LEU  26  -7.638  -0.669   2.763
  201   1HD2  LEU  26          1HD2      LEU  26  -5.833   0.902   3.723
  202   2HD2  LEU  26          2HD2      LEU  26  -4.703   0.246   2.538
  203   3HD2  LEU  26          3HD2      LEU  26  -4.306   0.198   4.256
  204    H    GLY  27           H        GLY  27  -4.976  -3.302   6.795
  205   1HA   GLY  27          2HA       GLY  27  -3.446  -4.929   5.056
  206   2HA   GLY  27          1HA       GLY  27  -3.229  -4.795   6.796
  207    H    LYS  28           H        LYS  28  -5.787  -5.640   7.570
  208    HA   LYS  28           HA       LYS  28  -5.559  -8.418   7.656
  209   1HB   LYS  28          2HB       LYS  28  -6.801  -7.278   9.321
  210   2HB   LYS  28          1HB       LYS  28  -7.826  -6.499   8.132
  211   1HG   LYS  28          2HG       LYS  28  -8.888  -8.645   7.648
  212   2HG   LYS  28          1HG       LYS  28  -7.851  -9.421   8.850
  213   1HD   LYS  28          2HD       LYS  28  -8.835  -8.245  10.623
  214   2HD   LYS  28          1HD       LYS  28  -9.571  -7.061   9.545
  215   1HE   LYS  28          2HE       LYS  28 -11.023  -8.867   8.656
  216   2HE   LYS  28          1HE       LYS  28 -10.351  -9.955   9.873
  217   1HZ   LYS  28          1HZ       LYS  28 -11.745  -7.401  10.480
  218   2HZ   LYS  28          2HZ       LYS  28 -11.206  -8.553  11.600
  219   3HZ   LYS  28          3HZ       LYS  28 -12.471  -8.930  10.548
  220    H    ARG  29           H        ARG  29  -7.615  -6.358   5.614
  221    HA   ARG  29           HA       ARG  29  -8.919  -8.335   4.145
  222   1HB   ARG  29          2HB       ARG  29  -9.533  -5.962   4.034
  223   2HB   ARG  29          1HB       ARG  29  -8.002  -5.583   3.262
  224   1HG   ARG  29          2HG       ARG  29  -8.666  -6.947   1.324
  225   2HG   ARG  29          1HG       ARG  29 -10.221  -7.257   2.097
  226   1HD   ARG  29          2HD       ARG  29 -10.712  -4.863   2.081
  227   2HD   ARG  29          1HD       ARG  29  -9.144  -4.536   1.348
  228    HE   ARG  29           HE       ARG  29 -10.727  -6.365  -0.189
  229   1HH1  ARG  29          1HH1      ARG  29 -10.195  -2.962   0.481
  230   2HH1  ARG  29          2HH1      ARG  29 -10.782  -2.435  -1.071
  231   1HH2  ARG  29          1HH2      ARG  29 -11.500  -5.664  -2.235
  232   2HH2  ARG  29          2HH2      ARG  29 -11.522  -3.969  -2.602
  233    H    ILE  30           H        ILE  30  -5.765  -6.839   3.668
  234    HA   ILE  30           HA       ILE  30  -5.155  -8.116   1.209
  235    HB   ILE  30           HB       ILE  30  -3.231  -7.039   3.273
  236   1HG1  ILE  30          2HG1      ILE  30  -4.840  -5.315   2.589
  237   2HG1  ILE  30          1HG1      ILE  30  -3.236  -4.966   1.954
  238   1HG2  ILE  30          1HG2      ILE  30  -2.140  -8.471   1.666
  239   2HG2  ILE  30          2HG2      ILE  30  -1.705  -6.789   1.359
  240   3HG2  ILE  30          3HG2      ILE  30  -2.891  -7.596   0.333
  241   1HD1  ILE  30          1HD1      ILE  30  -3.918  -5.829  -0.225
  242   2HD1  ILE  30          2HD1      ILE  30  -4.946  -4.501   0.311
  243   3HD1  ILE  30          3HD1      ILE  30  -5.527  -6.162   0.417
  244    H    TYR  31           H        TYR  31  -4.331  -8.853   4.581
  245    HA   TYR  31           HA       TYR  31  -2.491 -10.897   4.041
  246   1HB   TYR  31          2HB       TYR  31  -4.148 -10.343   6.499
  247   2HB   TYR  31          1HB       TYR  31  -2.881 -11.561   6.434
  248    HD1  TYR  31           1HD      TYR  31  -2.777  -9.442   8.439
  249    HD2  TYR  31           2HD      TYR  31  -1.350  -9.427   4.426
  250    HE1  TYR  31           1HE      TYR  31  -1.106  -7.739   9.040
  251    HE2  TYR  31           2HE      TYR  31   0.321  -7.731   5.019
  252    HH   TYR  31           HH       TYR  31   0.706  -6.028   6.696
  253    H    ASN  32           H        ASN  32  -5.965 -10.997   4.165
  254    HA   ASN  32           HA       ASN  32  -6.153 -13.830   4.453
  255   1HB   ASN  32          2HB       ASN  32  -8.074 -11.683   3.634
  256   2HB   ASN  32          1HB       ASN  32  -8.505 -13.373   3.399
  257   1HD2  ASN  32          1HD2      ASN  32  -7.826 -10.877   5.723
  258   2HD2  ASN  32          2HD2      ASN  32  -8.470 -11.714   7.093
  259    H    GLU  33           H        GLU  33  -5.580 -11.723   1.759
  260    HA   GLU  33           HA       GLU  33  -6.140 -13.922  -0.123
  261   1HB   GLU  33          2HB       GLU  33  -5.864 -10.984  -0.760
  262   2HB   GLU  33          1HB       GLU  33  -6.463 -12.251  -1.819
  263   1HG   GLU  33          2HG       GLU  33  -7.808 -11.338   0.709
  264   2HG   GLU  33          1HG       GLU  33  -8.237 -10.808  -0.912
  265    H    ILE  34           H        ILE  34  -3.644 -11.909   1.145
  266    HA   ILE  34           HA       ILE  34  -1.824 -12.830  -0.973
  267    HB   ILE  34           HB       ILE  34  -1.859 -10.239   0.555
  268   1HG1  ILE  34          2HG1      ILE  34  -3.239 -10.386  -1.468
  269   2HG1  ILE  34          1HG1      ILE  34  -1.899  -9.265  -1.687
  270   1HG2  ILE  34          1HG2      ILE  34   0.366 -11.291  -1.185
  271   2HG2  ILE  34          2HG2      ILE  34   0.440 -11.041   0.559
  272   3HG2  ILE  34          3HG2      ILE  34   0.260  -9.660  -0.524
  273   1HD1  ILE  34          1HD1      ILE  34  -2.162 -10.592  -3.673
  274   2HD1  ILE  34          2HD1      ILE  34  -2.087 -12.082  -2.735
  275   3HD1  ILE  34          3HD1      ILE  34  -0.659 -11.054  -2.872
  276    H    SER  35           H        SER  35  -0.071 -13.937  -0.407
  277    HA   SER  35           HA       SER  35   0.299 -14.571   2.402
  278   1HB   SER  35          2HB       SER  35   0.268 -16.268   0.444
  279   2HB   SER  35          1HB       SER  35   1.913 -15.704   0.129
  280    HG   SER  35           HG       SER  35   0.947 -16.792   2.572
  281    H    LYS  36           H        LYS  36   2.894 -15.037   2.739
  282    HA   LYS  36           HA       LYS  36   3.864 -12.390   3.095
  283   1HB   LYS  36          2HB       LYS  36   5.034 -15.088   3.697
  284   2HB   LYS  36          1HB       LYS  36   5.931 -13.602   3.975
  285   1HG   LYS  36          2HG       LYS  36   4.092 -12.818   5.425
  286   2HG   LYS  36          1HG       LYS  36   3.307 -14.384   5.212
  287   1HD   LYS  36          2HD       LYS  36   5.084 -15.517   6.300
  288   2HD   LYS  36          1HD       LYS  36   6.104 -14.076   6.274
  289   1HE   LYS  36          2HE       LYS  36   3.522 -14.375   7.801
  290   2HE   LYS  36          1HE       LYS  36   5.140 -14.479   8.492
  291   1HZ   LYS  36          1HZ       LYS  36   4.359 -12.292   8.878
  292   2HZ   LYS  36          2HZ       LYS  36   3.849 -12.106   7.273
  293   3HZ   LYS  36          3HZ       LYS  36   5.499 -12.174   7.631
  294    H    ASP  37           H        ASP  37   4.845 -15.054   0.946
  295    HA   ASP  37           HA       ASP  37   7.170 -13.781  -0.007
  296   1HB   ASP  37          2HB       ASP  37   6.825 -16.155  -0.401
  297   2HB   ASP  37          1HB       ASP  37   5.417 -15.812  -1.406
  298    H    ALA  38           H        ALA  38   3.862 -13.815  -1.271
  299    HA   ALA  38           HA       ALA  38   4.374 -12.158  -3.498
  300   1HB   ALA  38          1HB       ALA  38   1.796 -12.593  -1.997
  301   2HB   ALA  38          2HB       ALA  38   2.379 -13.542  -3.364
  302   3HB   ALA  38          3HB       ALA  38   1.944 -11.848  -3.587
  303    H    TRP  39           H        TRP  39   3.373 -11.486  -0.188
  304    HA   TRP  39           HA       TRP  39   2.918  -8.723  -0.445
  305   1HB   TRP  39          2HB       TRP  39   2.211 -10.104   1.486
  306   2HB   TRP  39          1HB       TRP  39   3.895 -10.277   1.961
  307    HD1  TRP  39           HD       TRP  39   4.543  -8.717   3.850
  308    HE1  TRP  39           1HE      TRP  39   3.761  -6.428   4.729
  309    HE3  TRP  39           3HE      TRP  39   0.987  -7.689   0.337
  310    HZ2  TRP  39           2HZ      TRP  39   1.883  -4.440   4.010
  311    HZ3  TRP  39           3HZ      TRP  39  -0.253  -5.570   0.500
  312    HH2  TRP  39           HH       TRP  39   0.186  -3.983   2.299
  313    H    ALA  40           H        ALA  40   5.794 -10.516   0.617
  314    HA   ALA  40           HA       ALA  40   7.448  -8.244   0.945
  315   1HB   ALA  40          1HB       ALA  40   8.222 -11.119   0.447
  316   2HB   ALA  40          2HB       ALA  40   7.940 -10.375   2.022
  317   3HB   ALA  40          3HB       ALA  40   9.297  -9.847   1.026
  318    H    GLN  41           H        GLN  41   6.691 -10.304  -1.775
  319    HA   GLN  41           HA       GLN  41   8.728  -9.488  -3.530
  320   1HB   GLN  41          2HB       GLN  41   7.094 -11.422  -3.809
  321   2HB   GLN  41          1HB       GLN  41   5.917 -10.230  -4.342
  322   1HG   GLN  41          2HG       GLN  41   7.420  -9.589  -6.169
  323   2HG   GLN  41          1HG       GLN  41   8.563 -10.823  -5.641
  324   1HE2  GLN  41          1HE2      GLN  41   8.013 -13.013  -5.879
  325   2HE2  GLN  41          2HE2      GLN  41   6.781 -13.514  -6.984
  326    H    TRP  42           H        TRP  42   5.459  -8.229  -2.960
  327    HA   TRP  42           HA       TRP  42   5.626  -6.131  -4.854
  328   1HB   TRP  42          2HB       TRP  42   3.467  -6.861  -4.038
  329   2HB   TRP  42          1HB       TRP  42   3.902  -6.431  -2.387
  330    HD1  TRP  42           HD       TRP  42   2.643  -4.335  -1.695
  331    HE1  TRP  42           1HE      TRP  42   1.997  -2.101  -2.802
  332    HE3  TRP  42           3HE      TRP  42   4.514  -5.179  -6.377
  333    HZ2  TRP  42           2HZ      TRP  42   2.253  -0.862  -5.332
  334    HZ3  TRP  42           3HZ      TRP  42   4.277  -3.422  -8.079
  335    HH2  TRP  42           HH       TRP  42   3.169  -1.309  -7.568
  336    H    GLN  43           H        GLN  43   6.333  -6.293  -1.374
  337    HA   GLN  43           HA       GLN  43   6.929  -3.577  -0.999
  338   1HB   GLN  43          2HB       GLN  43   8.130  -5.977   0.393
  339   2HB   GLN  43          1HB       GLN  43   8.262  -4.316   0.951
  340   1HG   GLN  43          2HG       GLN  43   5.768  -4.259   1.103
  341   2HG   GLN  43          1HG       GLN  43   5.768  -5.984   0.743
  342   1HE2  GLN  43          1HE2      GLN  43   6.567  -3.540   3.079
  343   2HE2  GLN  43          2HE2      GLN  43   6.790  -4.608   4.421
  344    H    HIS  44           H        HIS  44   8.976  -6.288  -1.957
  345    HA   HIS  44           HA       HIS  44  11.413  -4.912  -2.164
  346   1HB   HIS  44          2HB       HIS  44  11.144  -7.390  -2.184
  347   2HB   HIS  44          1HB       HIS  44  10.453  -7.275  -3.796
  348    HD1  HIS  44           1HD      HIS  44  13.673  -7.279  -1.968
  349    HD2  HIS  44           2HD      HIS  44  12.314  -6.650  -5.842
  350    HE1  HIS  44           1HE      HIS  44  15.717  -7.408  -3.428
  351    HE2  HIS  44           2HE      HIS  44  14.890  -6.814  -5.736
  352    H    LYS  45           H        LYS  45   8.835  -5.491  -4.510
  353    HA   LYS  45           HA       LYS  45  10.066  -4.297  -6.743
  354   1HB   LYS  45          2HB       LYS  45   7.739  -5.666  -6.256
  355   2HB   LYS  45          1HB       LYS  45   7.142  -4.045  -6.565
  356   1HG   LYS  45          2HG       LYS  45   9.048  -5.396  -8.438
  357   2HG   LYS  45          1HG       LYS  45   7.312  -5.674  -8.524
  358   1HD   LYS  45          2HD       LYS  45   7.007  -3.207  -8.762
  359   2HD   LYS  45          1HD       LYS  45   8.762  -3.052  -8.857
  360   1HE   LYS  45          2HE       LYS  45   8.859  -4.317 -10.858
  361   2HE   LYS  45          1HE       LYS  45   7.182  -4.835 -10.695
  362   1HZ   LYS  45          1HZ       LYS  45   6.483  -2.550 -11.052
  363   2HZ   LYS  45          2HZ       LYS  45   7.405  -3.105 -12.352
  364   3HZ   LYS  45          3HZ       LYS  45   8.092  -2.058 -11.222
  365    H    GLN  46           H        GLN  46   7.864  -3.022  -4.272
  366    HA   GLN  46           HA       GLN  46   7.660  -0.428  -5.351
  367   1HB   GLN  46          2HB       GLN  46   6.040  -1.304  -3.745
  368   2HB   GLN  46          1HB       GLN  46   7.282  -1.358  -2.501
  369   1HG   GLN  46          2HG       GLN  46   5.851   0.568  -2.202
  370   2HG   GLN  46          1HG       GLN  46   7.493   1.069  -2.596
  371   1HE2  GLN  46          1HE2      GLN  46   6.849   3.065  -3.346
  372   2HE2  GLN  46          2HE2      GLN  46   6.007   3.279  -4.840
  373    H    THR  47           H        THR  47   9.936  -1.876  -3.076
  374    HA   THR  47           HA       THR  47  11.244   0.441  -2.222
  375    HB   THR  47           HB       THR  47  12.518  -2.248  -2.797
  376    HG1  THR  47           1HG      THR  47  10.640  -2.230  -1.324
  377   1HG2  THR  47          1HG2      THR  47  14.138  -1.588  -1.069
  378   2HG2  THR  47          2HG2      THR  47  13.353  -0.014  -0.932
  379   3HG2  THR  47          3HG2      THR  47  14.162  -0.470  -2.433
  380    H    MET  48           H        MET  48  11.793  -1.603  -5.057
  381    HA   MET  48           HA       MET  48  13.879  -0.123  -6.215
  382   1HB   MET  48          2HB       MET  48  13.307  -2.393  -6.917
  383   2HB   MET  48          1HB       MET  48  11.740  -1.842  -7.488
  384   1HG   MET  48          2HG       MET  48  12.791  -0.532  -9.220
  385   2HG   MET  48          1HG       MET  48  14.390  -0.973  -8.620
  386   1HE   MET  48          1HE       MET  48  15.226  -1.899 -10.952
  387   2HE   MET  48          2HE       MET  48  13.706  -1.300 -11.612
  388   3HE   MET  48          3HE       MET  48  14.241  -2.939 -11.981
  389    H    LEU  49           H        LEU  49  10.363   0.043  -6.613
  390    HA   LEU  49           HA       LEU  49  10.273   1.971  -8.636
  391   1HB   LEU  49          2HB       LEU  49   8.275   1.500  -6.424
  392   2HB   LEU  49          1HB       LEU  49   7.964   2.370  -7.915
  393    HG   LEU  49           HG       LEU  49   8.642  -0.564  -7.702
  394   1HD1  LEU  49          1HD1      LEU  49   6.343  -0.921  -8.431
  395   2HD1  LEU  49          2HD1      LEU  49   6.056   0.819  -8.389
  396   3HD1  LEU  49          3HD1      LEU  49   6.399  -0.053  -6.896
  397   1HD2  LEU  49          1HD2      LEU  49   9.507   0.397  -9.753
  398   2HD2  LEU  49          2HD2      LEU  49   7.937   1.124 -10.093
  399   3HD2  LEU  49          3HD2      LEU  49   8.112  -0.629 -10.092
  400    H    ILE  50           H        ILE  50  10.227   2.386  -5.108
  401    HA   ILE  50           HA       ILE  50   9.920   5.180  -5.066
  402    HB   ILE  50           HB       ILE  50  11.345   3.394  -3.083
  403   1HG1  ILE  50          2HG1      ILE  50   8.520   4.483  -3.088
  404   2HG1  ILE  50          1HG1      ILE  50   8.972   2.825  -3.464
  405   1HG2  ILE  50          1HG2      ILE  50  12.032   5.708  -2.807
  406   2HG2  ILE  50          2HG2      ILE  50  10.997   5.208  -1.469
  407   3HG2  ILE  50          3HG2      ILE  50  10.344   6.221  -2.756
  408   1HD1  ILE  50          1HD1      ILE  50   9.381   4.196  -0.818
  409   2HD1  ILE  50          2HD1      ILE  50   9.806   2.527  -1.200
  410   3HD1  ILE  50          3HD1      ILE  50   8.114   3.029  -1.201
  411    H    ASN  51           H        ASN  51  12.779   3.137  -5.218
  412    HA   ASN  51           HA       ASN  51  14.694   5.194  -4.903
  413   1HB   ASN  51          2HB       ASN  51  15.264   2.883  -4.473
  414   2HB   ASN  51          1HB       ASN  51  14.886   2.436  -6.131
  415   1HD2  ASN  51          1HD2      ASN  51  16.900   1.604  -6.497
  416   2HD2  ASN  51          2HD2      ASN  51  18.299   2.595  -6.695
  417    H    GLU  52           H        GLU  52  13.166   3.732  -7.723
  418    HA   GLU  52           HA       GLU  52  14.886   5.037  -9.596
  419   1HB   GLU  52          2HB       GLU  52  12.285   3.560  -9.965
  420   2HB   GLU  52          1HB       GLU  52  13.277   4.160 -11.287
  421   1HG   GLU  52          2HG       GLU  52  14.084   2.111  -9.238
  422   2HG   GLU  52          1HG       GLU  52  13.674   1.805 -10.925
  423    H    LYS  53           H        LYS  53  11.607   5.668  -8.387
  424    HA   LYS  53           HA       LYS  53  11.356   7.876 -10.281
  425   1HB   LYS  53          2HB       LYS  53   9.355   6.699  -8.356
  426   2HB   LYS  53          1HB       LYS  53   9.021   8.042  -9.440
  427   1HG   LYS  53          2HG       LYS  53   9.734   6.452 -11.320
  428   2HG   LYS  53          1HG       LYS  53   9.547   5.177 -10.112
  429   1HD   LYS  53          2HD       LYS  53   7.380   7.168 -10.740
  430   2HD   LYS  53          1HD       LYS  53   7.537   5.629 -11.583
  431   1HE   LYS  53          2HE       LYS  53   7.330   5.825  -8.591
  432   2HE   LYS  53          1HE       LYS  53   5.914   5.706  -9.633
  433   1HZ   LYS  53          1HZ       LYS  53   6.651   3.548  -8.765
  434   2HZ   LYS  53          2HZ       LYS  53   8.126   3.728  -9.577
  435   3HZ   LYS  53          3HZ       LYS  53   6.688   3.607 -10.454
  436    H    LYS  54           H        LYS  54  12.356   7.440  -7.100
  437    HA   LYS  54           HA       LYS  54  12.646   8.771  -5.288
  438   1HB   LYS  54          2HB       LYS  54  12.836  10.827  -7.481
  439   2HB   LYS  54          1HB       LYS  54  13.113  11.216  -5.791
  440   1HG   LYS  54          2HG       LYS  54  14.907   9.460  -5.783
  441   2HG   LYS  54          1HG       LYS  54  14.707   9.360  -7.536
  442   1HD   LYS  54          2HD       LYS  54  15.240  11.724  -7.750
  443   2HD   LYS  54          1HD       LYS  54  15.380  11.867  -5.998
  444   1HE   LYS  54          2HE       LYS  54  17.582  11.707  -6.933
  445   2HE   LYS  54          1HE       LYS  54  17.230  10.217  -6.062
  446   1HZ   LYS  54          1HZ       LYS  54  17.030  10.576  -9.000
  447   2HZ   LYS  54          2HZ       LYS  54  16.734   9.143  -8.159
  448   3HZ   LYS  54          3HZ       LYS  54  18.292   9.795  -8.195
  449    H    LEU  55           H        LEU  55  10.492   8.287  -4.551
  450    HA   LEU  55           HA       LEU  55   8.716  10.621  -4.759
  451   1HB   LEU  55          2HB       LEU  55   6.810   9.099  -4.480
  452   2HB   LEU  55          1HB       LEU  55   7.729   8.773  -5.933
  453    HG   LEU  55           HG       LEU  55   8.885   6.952  -4.404
  454   1HD1  LEU  55          1HD1      LEU  55   7.798   7.498  -2.341
  455   2HD1  LEU  55          2HD1      LEU  55   7.206   5.930  -2.890
  456   3HD1  LEU  55          3HD1      LEU  55   6.208   7.368  -3.091
  457   1HD2  LEU  55          1HD2      LEU  55   7.224   5.324  -5.203
  458   2HD2  LEU  55          2HD2      LEU  55   7.697   6.470  -6.455
  459   3HD2  LEU  55          3HD2      LEU  55   6.148   6.654  -5.633
  460    H    ASN  56           H        ASN  56   7.753  11.407  -2.931
  461    HA   ASN  56           HA       ASN  56   8.909  10.579  -0.411
  462   1HB   ASN  56          2HB       ASN  56   6.981  12.788  -1.135
  463   2HB   ASN  56          1HB       ASN  56   7.501  12.465   0.514
  464   1HD2  ASN  56          1HD2      ASN  56  10.208  11.758  -0.226
  465   2HD2  ASN  56          2HD2      ASN  56  10.995  13.234  -0.657
  466    H    MET  57           H        MET  57   7.902   9.496   1.187
  467    HA   MET  57           HA       MET  57   5.535   8.027   0.433
  468   1HB   MET  57          2HB       MET  57   7.345   7.898   2.833
  469   2HB   MET  57          1HB       MET  57   5.941   6.861   2.638
  470   1HG   MET  57          2HG       MET  57   7.902   6.921   0.424
  471   2HG   MET  57          1HG       MET  57   8.393   6.136   1.920
  472   1HE   MET  57          1HE       MET  57   5.841   6.183  -1.035
  473   2HE   MET  57          2HE       MET  57   4.701   6.221   0.312
  474   3HE   MET  57          3HE       MET  57   4.825   4.782  -0.702
  475    H    MET  58           H        MET  58   6.217  10.806   2.326
  476    HA   MET  58           HA       MET  58   3.996  10.584   4.118
  477   1HB   MET  58          2HB       MET  58   5.566  13.040   3.314
  478   2HB   MET  58          1HB       MET  58   4.447  12.940   4.662
  479   1HG   MET  58          2HG       MET  58   6.531  12.743   5.654
  480   2HG   MET  58          1HG       MET  58   5.966  11.077   5.540
  481   1HE   MET  58          1HE       MET  58   9.154  12.983   2.798
  482   2HE   MET  58          2HE       MET  58   8.355  13.805   4.138
  483   3HE   MET  58          3HE       MET  58   7.447  13.409   2.681
  484    H    ASN  59           H        ASN  59   4.536  11.985   0.972
  485    HA   ASN  59           HA       ASN  59   2.239  13.615   0.876
  486   1HB   ASN  59          2HB       ASN  59   3.795  12.363  -1.396
  487   2HB   ASN  59          1HB       ASN  59   2.574  13.614  -1.584
  488   1HD2  ASN  59          1HD2      ASN  59   3.916  15.124  -2.448
  489   2HD2  ASN  59          2HD2      ASN  59   5.195  15.879  -1.551
  490    H    ALA  60           H        ALA  60   0.183  13.167   0.562
  491    HA   ALA  60           HA       ALA  60  -0.838  10.559   0.510
  492   1HB   ALA  60          1HB       ALA  60  -2.234  13.089  -0.357
  493   2HB   ALA  60          2HB       ALA  60  -2.111  12.517   1.306
  494   3HB   ALA  60          3HB       ALA  60  -3.005  11.574   0.113
  495    H    GLU  61           H        GLU  61   0.194  12.700  -1.986
  496    HA   GLU  61           HA       GLU  61  -0.933  11.757  -4.300
  497   1HB   GLU  61          2HB       GLU  61   2.028  12.279  -3.979
  498   2HB   GLU  61          1HB       GLU  61   1.071  12.443  -5.442
  499   1HG   GLU  61          2HG       GLU  61  -0.109  14.336  -4.485
  500   2HG   GLU  61          1HG       GLU  61   0.789  14.147  -2.978
  501    H    HIS  62           H        HIS  62   2.110  10.554  -2.914
  502    HA   HIS  62           HA       HIS  62   2.094   8.296  -4.714
  503   1HB   HIS  62          2HB       HIS  62   4.041   8.833  -2.462
  504   2HB   HIS  62          1HB       HIS  62   4.286   7.794  -3.862
  505    HD1  HIS  62           1HD      HIS  62   4.365   9.150  -6.243
  506    HD2  HIS  62           2HD      HIS  62   4.961  11.356  -2.768
  507    HE1  HIS  62           1HE      HIS  62   5.431  11.297  -6.984
  508    HE2  HIS  62           2HE      HIS  62   5.569  12.703  -4.899
  509    H    ARG  63           H        ARG  63   1.042   8.987  -1.537
  510    HA   ARG  63           HA       ARG  63   1.184   6.410  -0.394
  511   1HB   ARG  63          2HB       ARG  63   0.756   8.473   0.904
  512   2HB   ARG  63          1HB       ARG  63  -0.818   8.614   0.136
  513   1HG   ARG  63          2HG       ARG  63  -1.063   7.703   2.349
  514   2HG   ARG  63          1HG       ARG  63  -1.490   6.481   1.151
  515   1HD   ARG  63          2HD       ARG  63  -0.162   5.490   2.918
  516   2HD   ARG  63          1HD       ARG  63   0.733   5.468   1.401
  517    HE   ARG  63           HE       ARG  63   1.768   7.634   2.405
  518   1HH1  ARG  63          1HH1      ARG  63   0.856   4.764   4.195
  519   2HH1  ARG  63          2HH1      ARG  63   2.088   4.970   5.396
  520   1HH2  ARG  63          1HH2      ARG  63   3.398   7.899   3.976
  521   2HH2  ARG  63          2HH2      ARG  63   3.531   6.755   5.274
  522    H    LYS  64           H        LYS  64  -1.488   8.085  -2.100
  523    HA   LYS  64           HA       LYS  64  -3.115   5.742  -2.112
  524   1HB   LYS  64          2HB       LYS  64  -4.579   6.968  -3.665
  525   2HB   LYS  64          1HB       LYS  64  -4.181   7.916  -2.242
  526   1HG   LYS  64          2HG       LYS  64  -2.671   9.275  -3.468
  527   2HG   LYS  64          1HG       LYS  64  -2.765   8.217  -4.877
  528   1HD   LYS  64          2HD       LYS  64  -5.041   8.837  -5.272
  529   2HD   LYS  64          1HD       LYS  64  -5.128   9.703  -3.741
  530   1HE   LYS  64          2HE       LYS  64  -3.296  10.453  -6.011
  531   2HE   LYS  64          1HE       LYS  64  -4.883  11.172  -5.739
  532   1HZ   LYS  64          1HZ       LYS  64  -3.036  12.493  -4.816
  533   2HZ   LYS  64          2HZ       LYS  64  -2.672  11.219  -3.764
  534   3HZ   LYS  64          3HZ       LYS  64  -4.156  12.016  -3.641
  535    H    LEU  65           H        LEU  65  -0.695   7.060  -4.257
  536    HA   LEU  65           HA       LEU  65  -1.154   5.466  -6.511
  537   1HB   LEU  65          2HB       LEU  65   0.480   7.271  -6.517
  538   2HB   LEU  65          1HB       LEU  65   1.453   6.427  -5.330
  539    HG   LEU  65           HG       LEU  65   1.871   4.629  -6.987
  540   1HD1  LEU  65          1HD1      LEU  65   0.452   6.483  -8.897
  541   2HD1  LEU  65          2HD1      LEU  65  -0.126   4.907  -8.353
  542   3HD1  LEU  65          3HD1      LEU  65   1.332   5.018  -9.337
  543   1HD2  LEU  65          1HD2      LEU  65   3.418   5.922  -8.377
  544   2HD2  LEU  65          2HD2      LEU  65   3.483   6.425  -6.688
  545   3HD2  LEU  65          3HD2      LEU  65   2.625   7.414  -7.870
  546    H    LEU  66           H        LEU  66   0.953   4.849  -3.709
  547    HA   LEU  66           HA       LEU  66   1.679   2.234  -4.349
  548   1HB   LEU  66          2HB       LEU  66   2.839   3.429  -2.628
  549   2HB   LEU  66          1HB       LEU  66   1.370   3.625  -1.691
  550    HG   LEU  66           HG       LEU  66   1.322   1.204  -1.261
  551   1HD1  LEU  66          1HD1      LEU  66   3.941   1.171  -2.746
  552   2HD1  LEU  66          2HD1      LEU  66   2.438   0.402  -3.254
  553   3HD1  LEU  66          3HD1      LEU  66   3.275  -0.166  -1.810
  554   1HD2  LEU  66          1HD2      LEU  66   2.431   2.706   0.317
  555   2HD2  LEU  66          2HD2      LEU  66   3.951   2.500  -0.556
  556   3HD2  LEU  66          3HD2      LEU  66   3.214   1.126   0.269
  557    H    GLU  67           H        GLU  67  -1.081   3.446  -2.497
  558    HA   GLU  67           HA       GLU  67  -2.096   0.992  -1.635
  559   1HB   GLU  67          2HB       GLU  67  -2.820   3.194  -0.786
  560   2HB   GLU  67          1HB       GLU  67  -3.615   3.510  -2.319
  561   1HG   GLU  67          2HG       GLU  67  -5.148   1.673  -1.936
  562   2HG   GLU  67          1HG       GLU  67  -4.323   1.280  -0.429
  563    H    GLN  68           H        GLN  68  -3.000   2.915  -4.488
  564    HA   GLN  68           HA       GLN  68  -4.909   1.171  -5.531
  565   1HB   GLN  68          2HB       GLN  68  -3.109   3.209  -6.816
  566   2HB   GLN  68          1HB       GLN  68  -4.290   2.301  -7.746
  567   1HG   GLN  68          2HG       GLN  68  -6.096   3.228  -6.502
  568   2HG   GLN  68          1HG       GLN  68  -4.990   3.966  -5.344
  569   1HE2  GLN  68          1HE2      GLN  68  -3.856   5.797  -5.924
  570   2HE2  GLN  68          2HE2      GLN  68  -4.280   6.759  -7.298
  571    H    GLU  69           H        GLU  69  -1.449   1.426  -6.330
  572    HA   GLU  69           HA       GLU  69  -1.439  -0.677  -8.211
  573   1HB   GLU  69          2HB       GLU  69   0.754   0.598  -6.586
  574   2HB   GLU  69          1HB       GLU  69   1.064  -0.669  -7.766
  575   1HG   GLU  69          2HG       GLU  69  -0.344   1.897  -8.440
  576   2HG   GLU  69          1HG       GLU  69   1.403   1.684  -8.570
  577    H    MET  70           H        MET  70  -1.010  -0.616  -4.729
  578    HA   MET  70           HA       MET  70  -0.033  -3.232  -4.396
  579   1HB   MET  70          2HB       MET  70   0.047  -1.583  -2.599
  580   2HB   MET  70          1HB       MET  70  -1.706  -1.533  -2.538
  581   1HG   MET  70          2HG       MET  70  -1.738  -3.883  -1.827
  582   2HG   MET  70          1HG       MET  70   0.026  -3.894  -1.841
  583   1HE   MET  70          1HE       MET  70   1.526  -2.468  -0.213
  584   2HE   MET  70          2HE       MET  70   0.896  -1.375   1.018
  585   3HE   MET  70          3HE       MET  70   0.710  -0.981  -0.689
  586    H    VAL  71           H        VAL  71  -3.354  -1.954  -4.236
  587    HA   VAL  71           HA       VAL  71  -4.493  -4.543  -3.808
  588    HB   VAL  71           HB       VAL  71  -5.981  -2.097  -4.773
  589   1HG1  VAL  71          1HG1      VAL  71  -6.826  -4.476  -3.119
  590   2HG1  VAL  71          2HG1      VAL  71  -7.259  -4.165  -4.802
  591   3HG1  VAL  71          3HG1      VAL  71  -7.847  -3.097  -3.527
  592   1HG2  VAL  71          1HG2      VAL  71  -4.630  -1.466  -2.838
  593   2HG2  VAL  71          2HG2      VAL  71  -5.274  -2.835  -1.933
  594   3HG2  VAL  71          3HG2      VAL  71  -6.344  -1.521  -2.422
  595    H    SER  72           H        SER  72  -3.294  -2.967  -6.557
  596    HA   SER  72           HA       SER  72  -4.947  -4.493  -8.401
  597   1HB   SER  72          2HB       SER  72  -2.598  -2.651  -8.898
  598   2HB   SER  72          1HB       SER  72  -3.576  -3.408 -10.157
  599    HG   SER  72           HG       SER  72  -4.257  -1.384  -8.329
  600    H    PHE  73           H        PHE  73  -1.411  -4.216  -7.854
  601    HA   PHE  73           HA       PHE  73  -0.719  -6.355  -9.517
  602   1HB   PHE  73          2HB       PHE  73   0.861  -4.615  -8.762
  603   2HB   PHE  73          1HB       PHE  73   0.795  -5.268  -7.131
  604    HD1  PHE  73           1HD      PHE  73   1.842  -6.000 -10.597
  605    HD2  PHE  73           2HD      PHE  73   2.149  -7.093  -6.495
  606    HE1  PHE  73           1HE      PHE  73   3.696  -7.522 -11.144
  607    HE2  PHE  73           2HE      PHE  73   4.004  -8.615  -7.033
  608    HZ   PHE  73           HZ       PHE  73   4.780  -8.833  -9.362
  609    H    LEU  74           H        LEU  74  -1.557  -6.300  -6.106
  610    HA   LEU  74           HA       LEU  74  -0.791  -9.105  -5.839
  611   1HB   LEU  74          2HB       LEU  74  -1.557  -6.987  -3.847
  612   2HB   LEU  74          1HB       LEU  74  -1.305  -8.664  -3.406
  613    HG   LEU  74           HG       LEU  74   0.781  -6.840  -4.602
  614   1HD1  LEU  74          1HD1      LEU  74   0.424  -7.888  -1.799
  615   2HD1  LEU  74          2HD1      LEU  74   0.213  -6.218  -2.322
  616   3HD1  LEU  74          3HD1      LEU  74   1.809  -6.967  -2.380
  617   1HD2  LEU  74          1HD2      LEU  74   0.973  -9.667  -3.568
  618   2HD2  LEU  74          2HD2      LEU  74   2.337  -8.661  -4.048
  619   3HD2  LEU  74          3HD2      LEU  74   1.142  -9.155  -5.248
  620    H    PHE  75           H        PHE  75  -3.626  -7.019  -5.560
  621    HA   PHE  75           HA       PHE  75  -5.197  -9.292  -4.576
  622   1HB   PHE  75          2HB       PHE  75  -5.017  -6.911  -3.497
  623   2HB   PHE  75          1HB       PHE  75  -6.198  -6.470  -4.722
  624    HD1  PHE  75           1HD      PHE  75  -8.313  -8.046  -4.823
  625    HD2  PHE  75           2HD      PHE  75  -5.744  -7.626  -1.461
  626    HE1  PHE  75           1HE      PHE  75 -10.126  -8.803  -3.348
  627    HE2  PHE  75           2HE      PHE  75  -7.551  -8.391   0.022
  628    HZ   PHE  75           HZ       PHE  75  -9.747  -8.978  -0.922
  629    H    GLU  76           H        GLU  76  -5.241  -6.797  -7.079
  630    HA   GLU  76           HA       GLU  76  -6.555  -6.355  -8.846
  631   1HB   GLU  76          2HB       GLU  76  -6.278  -9.318  -8.967
  632   2HB   GLU  76          1HB       GLU  76  -7.372  -8.521 -10.091
  633   1HG   GLU  76          2HG       GLU  76  -4.445  -7.899  -9.745
  634   2HG   GLU  76          1HG       GLU  76  -5.153  -8.844 -11.054
  635    H    GLY  77           H        GLY  77  -7.845  -6.888  -6.169
  636   1HA   GLY  77          2HA       GLY  77 -10.605  -6.940  -7.224
  637   2HA   GLY  77          1HA       GLY  77 -10.178  -7.453  -5.592
  638    H    LYS  78           H        LYS  78  -8.984  -4.714  -7.406
  639    HA   LYS  78           HA       LYS  78  -9.166  -3.005  -5.158
  640   1HB   LYS  78          2HB       LYS  78  -8.506  -1.229  -6.874
  641   2HB   LYS  78          1HB       LYS  78  -7.375  -2.542  -6.585
  642   1HG   LYS  78          2HG       LYS  78  -7.808  -3.541  -8.635
  643   2HG   LYS  78          1HG       LYS  78  -9.345  -2.698  -8.831
  644   1HD   LYS  78          2HD       LYS  78  -8.222  -0.615  -9.230
  645   2HD   LYS  78          1HD       LYS  78  -6.661  -1.331  -8.829
  646   1HE   LYS  78          2HE       LYS  78  -8.378  -2.258 -11.122
  647   2HE   LYS  78          1HE       LYS  78  -7.117  -1.037 -11.285
  648   1HZ   LYS  78          1HZ       LYS  78  -6.203  -3.129 -11.900
  649   2HZ   LYS  78          2HZ       LYS  78  -6.770  -3.879 -10.498
  650   3HZ   LYS  78          3HZ       LYS  78  -5.541  -2.720 -10.396
  651    H    ASP  79           H        ASP  79 -10.775  -1.890  -4.465
  652    HA   ASP  79           HA       ASP  79 -13.141  -1.443  -6.062
  653   1HB   ASP  79          2HB       ASP  79 -13.963  -0.314  -3.962
  654   2HB   ASP  79          1HB       ASP  79 -13.514  -2.004  -3.759
  655    H    VAL  80           H        VAL  80 -10.249   0.164  -5.288
  656    HA   VAL  80           HA       VAL  80 -11.241   2.774  -6.091
  657    HB   VAL  80           HB       VAL  80  -8.390   1.940  -5.509
  658   1HG1  VAL  80          1HG1      VAL  80  -9.677   4.665  -5.672
  659   2HG1  VAL  80          2HG1      VAL  80  -8.558   3.967  -6.842
  660   3HG1  VAL  80          3HG1      VAL  80  -8.004   4.343  -5.211
  661   1HG2  VAL  80          1HG2      VAL  80 -10.407   3.231  -3.674
  662   2HG2  VAL  80          2HG2      VAL  80  -8.707   2.949  -3.303
  663   3HG2  VAL  80          3HG2      VAL  80  -9.794   1.584  -3.548
  664    H    HIS  81           H        HIS  81 -11.368   3.306  -8.157
  665    HA   HIS  81           HA       HIS  81 -10.173   1.601 -10.164
  666   1HB   HIS  81          2HB       HIS  81 -11.960   4.026 -10.406
  667   2HB   HIS  81          1HB       HIS  81 -11.432   3.033 -11.763
  668    HD1  HIS  81           1HD      HIS  81 -13.876   3.182  -8.996
  669    HD2  HIS  81           2HD      HIS  81 -12.572   0.409 -11.803
  670    HE1  HIS  81           1HE      HIS  81 -15.574   1.331  -8.955
  671    HE2  HIS  81           2HE      HIS  81 -14.862  -0.239 -10.789
  672    H    ILE  82           H        ILE  82  -8.449   2.050 -11.383
  673    HA   ILE  82           HA       ILE  82  -6.944   4.454 -10.648
  674    HB   ILE  82           HB       ILE  82  -5.922   1.990 -12.065
  675   1HG1  ILE  82          2HG1      ILE  82  -5.735   2.738  -9.138
  676   2HG1  ILE  82          1HG1      ILE  82  -6.714   1.433  -9.799
  677   1HG2  ILE  82          1HG2      ILE  82  -4.547   3.910 -12.495
  678   2HG2  ILE  82          2HG2      ILE  82  -3.714   2.872 -11.336
  679   3HG2  ILE  82          3HG2      ILE  82  -4.531   4.334 -10.784
  680   1HD1  ILE  82          1HD1      ILE  82  -3.710   1.603  -9.908
  681   2HD1  ILE  82          2HD1      ILE  82  -4.699   0.284 -10.535
  682   3HD1  ILE  82          3HD1      ILE  82  -4.652   0.603  -8.802
  683    H    GLU  83           H        GLU  83  -7.249   6.082 -12.002
  684    HA   GLU  83           HA       GLU  83  -6.471   5.729 -14.762
  685   1HB   GLU  83          2HB       GLU  83  -8.908   5.345 -14.857
  686   2HB   GLU  83          1HB       GLU  83  -9.178   6.896 -14.073
  687   1HG   GLU  83          2HG       GLU  83  -8.090   8.010 -15.986
  688   2HG   GLU  83          1HG       GLU  83  -7.953   6.446 -16.783
  689    H    GLY  84           H        GLY  84  -8.121   8.112 -12.699
  690   1HA   GLY  84          2HA       GLY  84  -5.781   9.831 -12.756
  691   2HA   GLY  84          1HA       GLY  84  -7.207  10.464 -13.564
  692    H    TYR  85           H        TYR  85  -7.992  11.996 -12.281
  693    HA   TYR  85           HA       TYR  85  -8.755  11.195  -9.570
  694   1HB   TYR  85          2HB       TYR  85  -6.681  12.506  -9.358
  695   2HB   TYR  85          1HB       TYR  85  -7.421  13.824 -10.259
  696    HD1  TYR  85           1HD      TYR  85  -8.643  15.481  -9.137
  697    HD2  TYR  85           2HD      TYR  85  -7.764  11.827  -7.139
  698    HE1  TYR  85           1HE      TYR  85  -9.500  16.426  -7.037
  699    HE2  TYR  85           2HE      TYR  85  -8.628  12.762  -5.036
  700    HH   TYR  85           HH       TYR  85 -10.404  15.672  -4.908
  701    H    THR  86           H        THR  86 -10.889  11.346  -9.490
  702    HA   THR  86           HA       THR  86 -12.214  13.297 -11.219
  703    HB   THR  86           HB       THR  86 -12.980  11.025 -11.534
  704    HG1  THR  86           1HG      THR  86 -15.252  11.712 -10.274
  705   1HG2  THR  86          1HG2      THR  86 -14.089   9.754  -9.764
  706   2HG2  THR  86          2HG2      THR  86 -13.724  11.033  -8.608
  707   3HG2  THR  86          3HG2      THR  86 -12.414  10.105  -9.337
  708    HA   PRO  87           HA       PRO  87 -12.940  15.684  -7.474
  709   1HB   PRO  87          2HB       PRO  87 -14.201  17.619  -9.249
  710   2HB   PRO  87          1HB       PRO  87 -12.732  17.790  -8.290
  711   1HG   PRO  87          2HG       PRO  87 -12.728  17.651 -11.002
  712   2HG   PRO  87          1HG       PRO  87 -11.379  17.082 -10.000
  713   1HD   PRO  87          2HD       PRO  87 -13.550  15.511 -11.339
  714   2HD   PRO  87          1HD       PRO  87 -11.824  15.131 -11.164
  715    H    GLU  88           H        GLU  88 -15.426  16.206  -9.969
  716    HA   GLU  88           HA       GLU  88 -17.683  16.068  -9.972
  717   1HB   GLU  88          2HB       GLU  88 -17.129  13.909  -7.939
  718   2HB   GLU  88          1HB       GLU  88 -18.731  14.249  -8.586
  719   1HG   GLU  88          2HG       GLU  88 -18.018  13.696 -10.802
  720   2HG   GLU  88          1HG       GLU  88 -16.346  13.523 -10.266
  721    H    ASP  89           H        ASP  89 -16.120  17.641  -7.827
  722    HA   ASP  89           HA       ASP  89 -18.384  18.177  -6.035
  723   1HB   ASP  89          2HB       ASP  89 -16.249  17.557  -4.933
  724   2HB   ASP  89          1HB       ASP  89 -15.464  18.928  -5.709
  725    H    LYS  90           H        LYS  90 -19.091  20.306  -5.758
  726    HA   LYS  90           HA       LYS  90 -18.235  22.134  -7.896
  727   1HB   LYS  90          2HB       LYS  90 -20.619  22.925  -7.958
  728   2HB   LYS  90          1HB       LYS  90 -20.359  21.294  -8.559
  729   1HG   LYS  90          2HG       LYS  90 -21.128  20.404  -6.395
  730   2HG   LYS  90          1HG       LYS  90 -21.455  22.055  -5.860
  731   1HD   LYS  90          2HD       LYS  90 -23.065  22.341  -7.655
  732   2HD   LYS  90          1HD       LYS  90 -22.706  20.724  -8.262
  733   1HE   LYS  90          2HE       LYS  90 -23.840  21.347  -5.541
  734   2HE   LYS  90          1HE       LYS  90 -24.781  20.815  -6.930
  735   1HZ   LYS  90          1HZ       LYS  90 -22.636  19.267  -5.578
  736   2HZ   LYS  90          2HZ       LYS  90 -23.479  18.762  -6.952
  737   3HZ   LYS  90          3HZ       LYS  90 -24.298  18.965  -5.490
  738    H    LYS  91           H        LYS  91 -17.707  21.796  -4.902
  739    HA   LYS  91           HA       LYS  91 -18.580  24.397  -3.916
  740   1HB   LYS  91          2HB       LYS  91 -17.056  22.124  -2.639
  741   2HB   LYS  91          1HB       LYS  91 -17.364  23.656  -1.829
  742   1HG   LYS  91          2HG       LYS  91 -19.711  23.281  -1.842
  743   2HG   LYS  91          1HG       LYS  91 -19.541  21.890  -2.914
  744   1HD   LYS  91          2HD       LYS  91 -19.927  21.218  -0.582
  745   2HD   LYS  91          1HD       LYS  91 -18.367  20.663  -1.187
  746   1HE   LYS  91          2HE       LYS  91 -17.295  22.600  -0.083
  747   2HE   LYS  91          1HE       LYS  91 -18.862  23.049   0.589
  748   1HZ   LYS  91          1HZ       LYS  91 -17.358  20.548   1.122
  749   2HZ   LYS  91          2HZ       LYS  91 -18.918  20.863   1.688
  750   3HZ   LYS  91          3HZ       LYS  91 -17.625  21.817   2.207
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1   0.776 -20.459  14.196
    2   2H    MET   1          2HT       MET   1   2.160 -21.351  13.818
    3   3H    MET   1          3HT       MET   1   1.288 -21.702  15.222
    4    HA   MET   1           HA       MET   1   0.876 -23.331  13.490
    5   1HB   MET   1          2HB       MET   1  -1.386 -21.530  14.337
    6   2HB   MET   1          1HB       MET   1  -1.673 -22.972  13.375
    7   1HG   MET   1          2HG       MET   1  -0.334 -22.928  16.067
    8   2HG   MET   1          1HG       MET   1  -2.021 -23.343  15.773
    9   1HE   MET   1          1HE       MET   1  -0.417 -26.814  16.650
   10   2HE   MET   1          2HE       MET   1  -1.688 -25.655  17.045
   11   3HE   MET   1          3HE       MET   1   0.003 -25.249  17.348
   12    H    SER   2           H        SER   2   0.157 -23.828  11.416
   13    HA   SER   2           HA       SER   2   0.727 -21.911   9.405
   14   1HB   SER   2          2HB       SER   2  -0.641 -24.601   9.143
   15   2HB   SER   2          1HB       SER   2   0.110 -23.684   7.839
   16    HG   SER   2           HG       SER   2   1.296 -25.481   9.170
   17    H    ARG   3           H        ARG   3  -0.669 -21.000   7.857
   18    HA   ARG   3           HA       ARG   3  -3.543 -21.199   8.404
   19   1HB   ARG   3          2HB       ARG   3  -2.802 -19.089   9.374
   20   2HB   ARG   3          1HB       ARG   3  -2.018 -18.644   7.867
   21   1HG   ARG   3          2HG       ARG   3  -4.171 -17.496   8.215
   22   2HG   ARG   3          1HG       ARG   3  -4.145 -18.480   6.748
   23   1HD   ARG   3          2HD       ARG   3  -5.315 -20.273   7.964
   24   2HD   ARG   3          1HD       ARG   3  -5.375 -19.249   9.396
   25    HE   ARG   3           HE       ARG   3  -6.571 -17.714   7.536
   26   1HH1  ARG   3          1HH1      ARG   3  -7.049 -21.046   8.498
   27   2HH1  ARG   3          2HH1      ARG   3  -8.736 -21.052   8.100
   28   1HH2  ARG   3          1HH2      ARG   3  -8.813 -17.717   7.025
   29   2HH2  ARG   3          2HH2      ARG   3  -9.741 -19.160   7.281
   30    H    THR   4           H        THR   4  -3.997 -22.466   6.661
   31    HA   THR   4           HA       THR   4  -2.858 -21.891   4.081
   32    HB   THR   4           HB       THR   4  -5.033 -23.852   4.816
   33    HG1  THR   4           1HG      THR   4  -2.369 -24.570   4.240
   34   1HG2  THR   4          1HG2      THR   4  -3.303 -23.617   2.351
   35   2HG2  THR   4          2HG2      THR   4  -5.040 -23.330   2.440
   36   3HG2  THR   4          3HG2      THR   4  -4.399 -24.953   2.698
   37    H    ILE   5           H        ILE   5  -3.550 -20.186   3.014
   38    HA   ILE   5           HA       ILE   5  -6.453 -19.882   2.630
   39    HB   ILE   5           HB       ILE   5  -6.017 -17.426   2.269
   40   1HG1  ILE   5          2HG1      ILE   5  -3.920 -16.674   3.681
   41   2HG1  ILE   5          1HG1      ILE   5  -3.305 -18.259   3.233
   42   1HG2  ILE   5          1HG2      ILE   5  -5.499 -18.564   5.007
   43   2HG2  ILE   5          2HG2      ILE   5  -7.068 -18.195   4.289
   44   3HG2  ILE   5          3HG2      ILE   5  -5.946 -16.890   4.678
   45   1HD1  ILE   5          1HD1      ILE   5  -3.595 -17.678   0.865
   46   2HD1  ILE   5          2HD1      ILE   5  -2.494 -16.584   1.704
   47   3HD1  ILE   5          3HD1      ILE   5  -4.143 -16.072   1.346
   48    H    PHE   6           H        PHE   6  -7.006 -18.902   0.508
   49    HA   PHE   6           HA       PHE   6  -5.094 -19.739  -1.532
   50   1HB   PHE   6          2HB       PHE   6  -8.007 -18.962  -1.694
   51   2HB   PHE   6          1HB       PHE   6  -7.012 -19.255  -3.117
   52    HD1  PHE   6           1HD      PHE   6  -8.852 -20.749  -0.389
   53    HD2  PHE   6           2HD      PHE   6  -6.080 -21.508  -3.527
   54    HE1  PHE   6           1HE      PHE   6  -9.318 -23.157  -0.213
   55    HE2  PHE   6           2HE      PHE   6  -6.543 -23.919  -3.358
   56    HZ   PHE   6           HZ       PHE   6  -8.165 -24.745  -1.701
   57    H    CYS   7           H        CYS   7  -3.700 -18.330  -2.241
   58    HA   CYS   7           HA       CYS   7  -4.026 -15.531  -1.662
   59   1HB   CYS   7          2HB       CYS   7  -1.833 -16.662  -1.433
   60   2HB   CYS   7          1HB       CYS   7  -1.814 -16.942  -3.170
   61    HG   CYS   7           HG       CYS   7  -2.195 -13.746  -2.182
   62    H    THR   8           H        THR   8  -4.421 -13.899  -3.040
   63    HA   THR   8           HA       THR   8  -5.982 -14.381  -5.305
   64    HB   THR   8           HB       THR   8  -5.468 -11.862  -5.722
   65    HG1  THR   8           1HG      THR   8  -4.148 -10.944  -4.326
   66   1HG2  THR   8          1HG2      THR   8  -6.996 -11.226  -3.896
   67   2HG2  THR   8          2HG2      THR   8  -6.761 -12.815  -3.162
   68   3HG2  THR   8          3HG2      THR   8  -7.545 -12.679  -4.734
   69    H    TYR   9           H        TYR   9  -2.667 -13.056  -5.166
   70    HA   TYR   9           HA       TYR   9  -2.493 -12.951  -8.012
   71   1HB   TYR   9          2HB       TYR   9  -1.279 -11.414  -6.420
   72   2HB   TYR   9          1HB       TYR   9  -0.195 -12.754  -6.057
   73    HD1  TYR   9           1HD      TYR   9  -1.470 -10.701  -8.878
   74    HD2  TYR   9           2HD      TYR   9   1.701 -13.108  -7.390
   75    HE1  TYR   9           1HE      TYR   9  -0.099 -10.083 -10.820
   76    HE2  TYR   9           2HE      TYR   9   3.081 -12.498  -9.330
   77    HH   TYR   9           HH       TYR   9   2.300  -9.960 -11.413
   78    H    LEU  10           H        LEU  10  -1.422 -15.239  -5.570
   79    HA   LEU  10           HA       LEU  10   0.194 -16.735  -7.426
   80   1HB   LEU  10          2HB       LEU  10  -0.746 -17.491  -4.660
   81   2HB   LEU  10          1HB       LEU  10   0.482 -18.324  -5.590
   82    HG   LEU  10           HG       LEU  10   0.703 -15.495  -4.552
   83   1HD1  LEU  10          1HD1      LEU  10   0.812 -17.123  -2.758
   84   2HD1  LEU  10          2HD1      LEU  10   2.414 -16.447  -3.063
   85   3HD1  LEU  10          3HD1      LEU  10   2.010 -18.059  -3.653
   86   1HD2  LEU  10          1HD2      LEU  10   3.031 -15.651  -5.285
   87   2HD2  LEU  10          2HD2      LEU  10   1.918 -15.809  -6.644
   88   3HD2  LEU  10          3HD2      LEU  10   2.707 -17.239  -5.977
   89    H    GLN  11           H        GLN  11  -3.078 -16.796  -6.273
   90    HA   GLN  11           HA       GLN  11  -4.918 -17.938  -6.916
   91   1HB   GLN  11          2HB       GLN  11  -3.107 -18.514  -9.233
   92   2HB   GLN  11          1HB       GLN  11  -4.695 -19.259  -9.135
   93   1HG   GLN  11          2HG       GLN  11  -4.170 -16.298  -9.081
   94   2HG   GLN  11          1HG       GLN  11  -4.665 -17.221 -10.500
   95   1HE2  GLN  11          1HE2      GLN  11  -5.662 -15.809  -7.511
   96   2HE2  GLN  11          2HE2      GLN  11  -7.361 -16.106  -7.692
   97    H    ARG  12           H        ARG  12  -2.674 -19.217  -5.327
   98    HA   ARG  12           HA       ARG  12  -3.837 -21.905  -5.353
   99   1HB   ARG  12          2HB       ARG  12  -0.875 -21.328  -5.146
  100   2HB   ARG  12          1HB       ARG  12  -1.618 -22.900  -4.915
  101   1HG   ARG  12          2HG       ARG  12  -2.458 -22.744  -7.275
  102   2HG   ARG  12          1HG       ARG  12  -1.445 -21.310  -7.459
  103   1HD   ARG  12          2HD       ARG  12  -0.301 -23.300  -8.283
  104   2HD   ARG  12          1HD       ARG  12   0.530 -22.634  -6.875
  105    HE   ARG  12           HE       ARG  12  -1.385 -24.690  -6.236
  106   1HH1  ARG  12          1HH1      ARG  12   1.929 -24.066  -7.180
  107   2HH1  ARG  12          2HH1      ARG  12   2.528 -25.550  -6.514
  108   1HH2  ARG  12          1HH2      ARG  12  -0.595 -26.618  -5.335
  109   2HH2  ARG  12          2HH2      ARG  12   1.095 -26.994  -5.447
  110    H    ASP  13           H        ASP  13  -2.833 -23.078  -3.272
  111    HA   ASP  13           HA       ASP  13  -3.667 -21.432  -1.064
  112   1HB   ASP  13          2HB       ASP  13  -3.444 -23.416   0.301
  113   2HB   ASP  13          1HB       ASP  13  -4.284 -23.834  -1.185
  114    H    ALA  14           H        ALA  14  -2.449 -20.626   0.543
  115    HA   ALA  14           HA       ALA  14   0.369 -21.215   0.775
  116   1HB   ALA  14          1HB       ALA  14   0.394 -19.578  -1.034
  117   2HB   ALA  14          2HB       ALA  14   1.093 -18.892   0.434
  118   3HB   ALA  14          3HB       ALA  14  -0.548 -18.459  -0.048
  119    H    GLU  15           H        GLU  15   1.277 -19.484   2.465
  120    HA   GLU  15           HA       GLU  15  -0.418 -19.773   4.779
  121   1HB   GLU  15          2HB       GLU  15   2.000 -20.194   4.905
  122   2HB   GLU  15          1HB       GLU  15   2.316 -18.524   4.465
  123   1HG   GLU  15          2HG       GLU  15   1.331 -17.753   6.525
  124   2HG   GLU  15          1HG       GLU  15   0.889 -19.406   6.961
  125    H    GLY  16           H        GLY  16  -1.543 -18.208   5.796
  126   1HA   GLY  16          2HA       GLY  16  -2.077 -15.778   4.367
  127   2HA   GLY  16          1HA       GLY  16  -2.819 -16.287   5.876
  128    H    GLN  17           H        GLN  17   0.369 -15.312   4.707
  129    HA   GLN  17           HA       GLN  17   1.988 -13.997   5.557
  130   1HB   GLN  17          2HB       GLN  17  -0.507 -12.432   5.678
  131   2HB   GLN  17          1HB       GLN  17   0.876 -11.764   6.530
  132   1HG   GLN  17          2HG       GLN  17   2.200 -11.949   4.460
  133   2HG   GLN  17          1HG       GLN  17   0.756 -12.513   3.624
  134   1HE2  GLN  17          1HE2      GLN  17   2.284  -9.803   5.182
  135   2HE2  GLN  17          2HE2      GLN  17   1.256  -8.589   4.513
  136    H    ASP  18           H        ASP  18   0.184 -12.392   7.975
  137    HA   ASP  18           HA       ASP  18   1.397 -13.928  10.123
  138   1HB   ASP  18          2HB       ASP  18   2.968 -12.040   8.985
  139   2HB   ASP  18          1HB       ASP  18   2.096 -11.034  10.135
  140    H    PHE  19           H        PHE  19   1.157 -12.003  12.150
  141    HA   PHE  19           HA       PHE  19  -1.753 -11.762  12.243
  142   1HB   PHE  19          2HB       PHE  19  -1.506 -11.376  14.637
  143   2HB   PHE  19          1HB       PHE  19  -0.620 -12.816  14.161
  144    HD1  PHE  19           1HD      PHE  19  -0.287  -9.299  15.215
  145    HD2  PHE  19           2HD      PHE  19   1.727 -12.965  14.451
  146    HE1  PHE  19           1HE      PHE  19   1.722  -8.419  16.326
  147    HE2  PHE  19           2HE      PHE  19   3.746 -12.091  15.556
  148    HZ   PHE  19           HZ       PHE  19   3.741  -9.814  16.498
  149    H    GLN  20           H        GLN  20  -2.630  -9.777  13.386
  150    HA   GLN  20           HA       GLN  20  -1.828  -7.465  11.890
  151   1HB   GLN  20          2HB       GLN  20  -3.916  -7.855  14.037
  152   2HB   GLN  20          1HB       GLN  20  -3.678  -6.349  13.162
  153   1HG   GLN  20          2HG       GLN  20  -4.372  -8.979  11.883
  154   2HG   GLN  20          1HG       GLN  20  -5.536  -7.719  12.293
  155   1HE2  GLN  20          1HE2      GLN  20  -5.541  -5.806  11.126
  156   2HE2  GLN  20          2HE2      GLN  20  -4.772  -5.673   9.588
  157    H    LEU  21           H        LEU  21   0.081  -6.625  12.496
  158    HA   LEU  21           HA       LEU  21   0.707  -6.304  15.312
  159   1HB   LEU  21          2HB       LEU  21   2.913  -5.736  14.654
  160   2HB   LEU  21          1HB       LEU  21   2.416  -7.097  13.673
  161    HG   LEU  21           HG       LEU  21   2.349  -4.249  12.673
  162   1HD1  LEU  21          1HD1      LEU  21   4.517  -6.317  12.347
  163   2HD1  LEU  21          2HD1      LEU  21   4.633  -4.826  13.283
  164   3HD1  LEU  21          3HD1      LEU  21   4.449  -4.755  11.530
  165   1HD2  LEU  21          1HD2      LEU  21   0.941  -5.726  11.394
  166   2HD2  LEU  21          2HD2      LEU  21   2.229  -6.925  11.287
  167   3HD2  LEU  21          3HD2      LEU  21   2.396  -5.375  10.463
  168    H    TYR  22           H        TYR  22  -0.823  -4.475  12.937
  169    HA   TYR  22           HA       TYR  22  -0.850  -2.145  14.585
  170   1HB   TYR  22          2HB       TYR  22   1.238  -1.600  13.640
  171   2HB   TYR  22          1HB       TYR  22   0.740  -2.096  12.028
  172    HD1  TYR  22           1HD      TYR  22   0.029   0.453  14.657
  173    HD2  TYR  22           2HD      TYR  22  -0.051  -0.506  10.514
  174    HE1  TYR  22           1HE      TYR  22  -0.615   2.771  14.138
  175    HE2  TYR  22           2HE      TYR  22  -0.688   1.806   9.985
  176    HH   TYR  22           HH       TYR  22  -1.757   3.710  11.067
  177    HA   PRO  23           HA       PRO  23  -3.508  -1.104  10.772
  178   1HB   PRO  23          2HB       PRO  23  -3.636  -3.372   8.967
  179   2HB   PRO  23          1HB       PRO  23  -3.084  -1.727   8.649
  180   1HG   PRO  23          2HG       PRO  23  -1.409  -3.868   8.693
  181   2HG   PRO  23          1HG       PRO  23  -0.900  -2.227   9.129
  182   1HD   PRO  23          2HD       PRO  23  -1.636  -4.521  10.912
  183   2HD   PRO  23          1HD       PRO  23  -0.306  -3.354  11.070
  184    H    GLY  24           H        GLY  24  -5.678  -1.763   9.802
  185   1HA   GLY  24          2HA       GLY  24  -6.964  -3.764  11.553
  186   2HA   GLY  24          1HA       GLY  24  -7.730  -2.259  11.070
  187    H    GLU  25           H        GLU  25  -9.004  -2.274   9.325
  188    HA   GLU  25           HA       GLU  25  -9.752  -4.720   8.169
  189   1HB   GLU  25          2HB       GLU  25 -11.230  -3.423   6.737
  190   2HB   GLU  25          1HB       GLU  25 -11.282  -2.811   8.382
  191   1HG   GLU  25          2HG       GLU  25 -10.848  -0.783   7.622
  192   2HG   GLU  25          1HG       GLU  25  -9.286  -1.351   7.031
  193    H    LEU  26           H        LEU  26  -7.639  -2.149   6.974
  194    HA   LEU  26           HA       LEU  26  -7.377  -3.208   4.352
  195   1HB   LEU  26          2HB       LEU  26  -6.865  -0.862   4.907
  196   2HB   LEU  26          1HB       LEU  26  -5.512  -1.392   5.889
  197    HG   LEU  26           HG       LEU  26  -4.429  -2.315   3.860
  198   1HD1  LEU  26          1HD1      LEU  26  -6.433  -2.726   2.532
  199   2HD1  LEU  26          2HD1      LEU  26  -5.286  -1.711   1.661
  200   3HD1  LEU  26          3HD1      LEU  26  -6.713  -0.989   2.406
  201   1HD2  LEU  26          1HD2      LEU  26  -5.184   0.601   3.713
  202   2HD2  LEU  26          2HD2      LEU  26  -3.819  -0.153   2.889
  203   3HD2  LEU  26          3HD2      LEU  26  -3.857  -0.088   4.650
  204    H    GLY  27           H        GLY  27  -5.545  -3.542   7.337
  205   1HA   GLY  27          2HA       GLY  27  -3.402  -5.052   6.348
  206   2HA   GLY  27          1HA       GLY  27  -3.994  -5.094   8.002
  207    H    LYS  28           H        LYS  28  -6.394  -6.194   7.915
  208    HA   LYS  28           HA       LYS  28  -5.817  -8.920   7.568
  209   1HB   LYS  28          2HB       LYS  28  -8.468  -7.520   7.909
  210   2HB   LYS  28          1HB       LYS  28  -8.273  -9.268   7.929
  211   1HG   LYS  28          2HG       LYS  28  -6.721  -9.021   9.835
  212   2HG   LYS  28          1HG       LYS  28  -7.078  -7.293   9.859
  213   1HD   LYS  28          2HD       LYS  28  -8.459  -8.321  11.503
  214   2HD   LYS  28          1HD       LYS  28  -9.498  -7.901  10.138
  215   1HE   LYS  28          2HE       LYS  28  -9.425 -10.199   9.347
  216   2HE   LYS  28          1HE       LYS  28  -8.316 -10.632  10.648
  217   1HZ   LYS  28          1HZ       LYS  28 -10.036 -10.096  12.249
  218   2HZ   LYS  28          2HZ       LYS  28 -10.588 -11.266  11.160
  219   3HZ   LYS  28          3HZ       LYS  28 -11.097  -9.662  11.004
  220    H    ARG  29           H        ARG  29  -7.468  -6.598   5.522
  221    HA   ARG  29           HA       ARG  29  -8.595  -8.273   3.622
  222   1HB   ARG  29          2HB       ARG  29  -8.863  -5.796   3.743
  223   2HB   ARG  29          1HB       ARG  29  -7.236  -5.622   3.102
  224   1HG   ARG  29          2HG       ARG  29  -7.935  -6.762   1.046
  225   2HG   ARG  29          1HG       ARG  29  -9.575  -6.888   1.692
  226   1HD   ARG  29          2HD       ARG  29  -8.051  -4.368   1.046
  227   2HD   ARG  29          1HD       ARG  29  -9.476  -4.995   0.219
  228    HE   ARG  29           HE       ARG  29  -9.404  -3.703   2.848
  229   1HH1  ARG  29          1HH1      ARG  29 -11.265  -5.182   0.285
  230   2HH1  ARG  29          2HH1      ARG  29 -12.785  -4.580   0.865
  231   1HH2  ARG  29          1HH2      ARG  29 -11.385  -2.888   3.614
  232   2HH2  ARG  29          2HH2      ARG  29 -12.853  -3.264   2.750
  233    H    ILE  30           H        ILE  30  -5.283  -7.024   3.811
  234    HA   ILE  30           HA       ILE  30  -4.481  -8.399   1.404
  235    HB   ILE  30           HB       ILE  30  -2.777  -7.019   3.490
  236   1HG1  ILE  30          2HG1      ILE  30  -3.829  -5.971   0.854
  237   2HG1  ILE  30          1HG1      ILE  30  -4.459  -5.528   2.435
  238   1HG2  ILE  30          1HG2      ILE  30  -1.075  -6.933   1.750
  239   2HG2  ILE  30          2HG2      ILE  30  -2.142  -7.794   0.643
  240   3HG2  ILE  30          3HG2      ILE  30  -1.535  -8.601   2.090
  241   1HD1  ILE  30          1HD1      ILE  30  -2.979  -3.816   1.552
  242   2HD1  ILE  30          2HD1      ILE  30  -1.671  -4.991   1.440
  243   3HD1  ILE  30          3HD1      ILE  30  -2.313  -4.535   3.017
  244    H    TYR  31           H        TYR  31  -3.973  -8.774   4.886
  245    HA   TYR  31           HA       TYR  31  -2.010 -10.782   4.702
  246   1HB   TYR  31          2HB       TYR  31  -3.739  -9.751   6.913
  247   2HB   TYR  31          1HB       TYR  31  -2.762 -11.191   7.169
  248    HD1  TYR  31           1HD      TYR  31  -0.847 -10.746   8.358
  249    HD2  TYR  31           2HD      TYR  31  -2.184  -7.869   5.530
  250    HE1  TYR  31           1HE      TYR  31   1.106  -9.344   8.868
  251    HE2  TYR  31           2HE      TYR  31  -0.236  -6.460   6.033
  252    HH   TYR  31           HH       TYR  31   1.371  -6.111   7.834
  253    H    ASN  32           H        ASN  32  -5.385 -11.077   4.221
  254    HA   ASN  32           HA       ASN  32  -5.259 -13.907   4.990
  255   1HB   ASN  32          2HB       ASN  32  -7.554 -13.932   5.290
  256   2HB   ASN  32          1HB       ASN  32  -7.163 -12.283   5.755
  257   1HD2  ASN  32          1HD2      ASN  32  -7.771 -10.582   4.408
  258   2HD2  ASN  32          2HD2      ASN  32  -8.919 -10.792   3.123
  259    H    GLU  33           H        GLU  33  -4.971 -11.975   2.263
  260    HA   GLU  33           HA       GLU  33  -5.670 -14.257   0.536
  261   1HB   GLU  33          2HB       GLU  33  -6.176 -11.325   0.010
  262   2HB   GLU  33          1HB       GLU  33  -6.315 -12.578  -1.218
  263   1HG   GLU  33          2HG       GLU  33  -8.053 -13.676   0.046
  264   2HG   GLU  33          1HG       GLU  33  -7.879 -12.502   1.346
  265    H    ILE  34           H        ILE  34  -3.249 -12.273   1.614
  266    HA   ILE  34           HA       ILE  34  -1.595 -12.931  -0.721
  267    HB   ILE  34           HB       ILE  34  -1.520 -10.509   1.065
  268   1HG1  ILE  34          2HG1      ILE  34  -2.965 -10.432  -0.922
  269   2HG1  ILE  34          1HG1      ILE  34  -1.630  -9.295  -1.051
  270   1HG2  ILE  34          1HG2      ILE  34   0.638 -11.388  -0.845
  271   2HG2  ILE  34          2HG2      ILE  34   0.768 -11.323   0.912
  272   3HG2  ILE  34          3HG2      ILE  34   0.569  -9.834  -0.014
  273   1HD1  ILE  34          1HD1      ILE  34  -1.850 -11.967  -2.415
  274   2HD1  ILE  34          2HD1      ILE  34  -0.438 -10.912  -2.484
  275   3HD1  ILE  34          3HD1      ILE  34  -1.976 -10.376  -3.166
  276    H    SER  35           H        SER  35   0.251 -14.018  -0.368
  277    HA   SER  35           HA       SER  35   0.745 -14.948   2.347
  278   1HB   SER  35          2HB       SER  35   0.563 -16.562   0.417
  279   2HB   SER  35          1HB       SER  35   2.059 -15.873  -0.214
  280    HG   SER  35           HG       SER  35   1.669 -17.240   2.238
  281    H    LYS  36           H        LYS  36   3.046 -15.170   2.997
  282    HA   LYS  36           HA       LYS  36   4.328 -12.700   3.117
  283   1HB   LYS  36          2HB       LYS  36   5.396 -15.483   3.598
  284   2HB   LYS  36          1HB       LYS  36   6.306 -14.023   3.952
  285   1HG   LYS  36          2HG       LYS  36   4.638 -13.345   5.574
  286   2HG   LYS  36          1HG       LYS  36   3.657 -14.755   5.177
  287   1HD   LYS  36          2HD       LYS  36   5.356 -16.237   5.993
  288   2HD   LYS  36          1HD       LYS  36   6.469 -14.893   6.247
  289   1HE   LYS  36          2HE       LYS  36   3.823 -15.188   7.657
  290   2HE   LYS  36          1HE       LYS  36   5.352 -15.749   8.321
  291   1HZ   LYS  36          1HZ       LYS  36   6.166 -13.451   8.196
  292   2HZ   LYS  36          2HZ       LYS  36   4.820 -13.597   9.212
  293   3HZ   LYS  36          3HZ       LYS  36   4.644 -12.948   7.658
  294    H    ASP  37           H        ASP  37   4.726 -15.370   0.872
  295    HA   ASP  37           HA       ASP  37   7.161 -14.577  -0.279
  296   1HB   ASP  37          2HB       ASP  37   6.230 -16.804  -0.641
  297   2HB   ASP  37          1HB       ASP  37   4.866 -16.110  -1.513
  298    H    ALA  38           H        ALA  38   3.840 -14.065  -1.479
  299    HA   ALA  38           HA       ALA  38   4.583 -12.351  -3.589
  300   1HB   ALA  38          1HB       ALA  38   1.948 -12.569  -2.136
  301   2HB   ALA  38          2HB       ALA  38   2.434 -13.491  -3.556
  302   3HB   ALA  38          3HB       ALA  38   2.201 -11.747  -3.675
  303    H    TRP  39           H        TRP  39   3.644 -11.766  -0.254
  304    HA   TRP  39           HA       TRP  39   3.448  -8.972  -0.345
  305   1HB   TRP  39          2HB       TRP  39   2.595 -10.337   1.506
  306   2HB   TRP  39          1HB       TRP  39   4.237 -10.781   1.950
  307    HD1  TRP  39           HD       TRP  39   5.278  -9.361   3.800
  308    HE1  TRP  39           1HE      TRP  39   4.777  -7.078   4.872
  309    HE3  TRP  39           3HE      TRP  39   1.495  -7.828   0.718
  310    HZ2  TRP  39           2HZ      TRP  39   3.023  -4.910   4.459
  311    HZ3  TRP  39           3HZ      TRP  39   0.465  -5.629   1.124
  312    HH2  TRP  39           HH       TRP  39   1.212  -4.204   2.959
  313    H    ALA  40           H        ALA  40   6.195 -11.053   0.586
  314    HA   ALA  40           HA       ALA  40   7.971  -8.923   1.138
  315   1HB   ALA  40          1HB       ALA  40   8.283 -11.222   1.973
  316   2HB   ALA  40          2HB       ALA  40   9.716 -10.592   1.162
  317   3HB   ALA  40          3HB       ALA  40   8.668 -11.745   0.335
  318    H    GLN  41           H        GLN  41   7.299 -10.762  -1.791
  319    HA   GLN  41           HA       GLN  41   9.413  -9.703  -3.323
  320   1HB   GLN  41          2HB       GLN  41   6.800 -10.985  -4.063
  321   2HB   GLN  41          1HB       GLN  41   7.867 -10.325  -5.294
  322   1HG   GLN  41          2HG       GLN  41   9.674 -11.793  -4.404
  323   2HG   GLN  41          1HG       GLN  41   8.469 -12.538  -3.353
  324   1HE2  GLN  41          1HE2      GLN  41   6.937 -13.902  -4.228
  325   2HE2  GLN  41          2HE2      GLN  41   7.030 -14.495  -5.846
  326    H    TRP  42           H        TRP  42   5.988  -8.699  -3.043
  327    HA   TRP  42           HA       TRP  42   6.347  -6.561  -4.890
  328   1HB   TRP  42          2HB       TRP  42   4.130  -7.614  -4.397
  329   2HB   TRP  42          1HB       TRP  42   4.146  -6.789  -2.838
  330    HD1  TRP  42           HD       TRP  42   2.759  -4.627  -2.899
  331    HE1  TRP  42           1HE      TRP  42   2.230  -2.825  -4.659
  332    HE3  TRP  42           3HE      TRP  42   5.428  -6.508  -6.843
  333    HZ2  TRP  42           2HZ      TRP  42   2.856  -2.271  -7.352
  334    HZ3  TRP  42           3HZ      TRP  42   5.416  -5.274  -8.971
  335    HH2  TRP  42           HH       TRP  42   4.155  -3.198  -9.219
  336    H    GLN  43           H        GLN  43   6.460  -6.767  -1.346
  337    HA   GLN  43           HA       GLN  43   6.701  -4.047  -0.789
  338   1HB   GLN  43          2HB       GLN  43   7.699  -6.523   0.535
  339   2HB   GLN  43          1HB       GLN  43   8.404  -4.993   1.036
  340   1HG   GLN  43          2HG       GLN  43   6.059  -4.180   1.439
  341   2HG   GLN  43          1HG       GLN  43   5.533  -5.848   1.203
  342   1HE2  GLN  43          1HE2      GLN  43   5.463  -4.105   3.597
  343   2HE2  GLN  43          2HE2      GLN  43   6.310  -4.978   4.825
  344    H    HIS  44           H        HIS  44   9.185  -6.394  -1.652
  345    HA   HIS  44           HA       HIS  44  11.352  -4.579  -1.456
  346   1HB   HIS  44          2HB       HIS  44  11.332  -7.165  -1.393
  347   2HB   HIS  44          1HB       HIS  44  11.362  -7.064  -3.147
  348    HD1  HIS  44           1HD      HIS  44  13.515  -7.037  -0.223
  349    HD2  HIS  44           2HD      HIS  44  13.748  -5.708  -4.153
  350    HE1  HIS  44           1HE      HIS  44  15.957  -6.637  -0.657
  351    HE2  HIS  44           2HE      HIS  44  16.067  -5.777  -3.022
  352    H    LYS  45           H        LYS  45   9.469  -5.825  -4.198
  353    HA   LYS  45           HA       LYS  45  10.947  -4.501  -6.211
  354   1HB   LYS  45          2HB       LYS  45   9.485  -6.419  -6.676
  355   2HB   LYS  45          1HB       LYS  45   8.077  -5.458  -6.245
  356   1HG   LYS  45          2HG       LYS  45   8.264  -5.600  -8.637
  357   2HG   LYS  45          1HG       LYS  45   8.561  -3.941  -8.123
  358   1HD   LYS  45          2HD       LYS  45  10.155  -4.546  -9.827
  359   2HD   LYS  45          1HD       LYS  45  10.997  -4.371  -8.286
  360   1HE   LYS  45          2HE       LYS  45  10.964  -6.799  -8.003
  361   2HE   LYS  45          1HE       LYS  45  10.111  -6.969  -9.534
  362   1HZ   LYS  45          1HZ       LYS  45  12.863  -5.929  -9.140
  363   2HZ   LYS  45          2HZ       LYS  45  12.046  -5.925 -10.619
  364   3HZ   LYS  45          3HZ       LYS  45  12.426  -7.391  -9.872
  365    H    GLN  46           H        GLN  46   7.991  -3.611  -4.452
  366    HA   GLN  46           HA       GLN  46   7.502  -1.251  -5.923
  367   1HB   GLN  46          2HB       GLN  46   5.797  -2.398  -4.534
  368   2HB   GLN  46          1HB       GLN  46   6.661  -1.885  -3.091
  369   1HG   GLN  46          2HG       GLN  46   4.774  -0.450  -3.477
  370   2HG   GLN  46          1HG       GLN  46   6.268   0.456  -3.704
  371   1HE2  GLN  46          1HE2      GLN  46   5.234   2.001  -4.953
  372   2HE2  GLN  46          2HE2      GLN  46   4.703   1.695  -6.571
  373    H    THR  47           H        THR  47   9.481  -1.956  -3.100
  374    HA   THR  47           HA       THR  47  10.071   0.691  -2.357
  375    HB   THR  47           HB       THR  47  11.854  -1.749  -2.140
  376    HG1  THR  47           1HG      THR  47   9.878  -1.999  -1.018
  377   1HG2  THR  47          1HG2      THR  47  13.131   0.318  -1.878
  378   2HG2  THR  47          2HG2      THR  47  12.968  -0.507  -0.328
  379   3HG2  THR  47          3HG2      THR  47  11.968   0.900  -0.686
  380    H    MET  48           H        MET  48  11.581  -1.486  -4.709
  381    HA   MET  48           HA       MET  48  13.576   0.204  -5.685
  382   1HB   MET  48          2HB       MET  48  13.436  -2.121  -6.370
  383   2HB   MET  48          1HB       MET  48  11.871  -1.845  -7.119
  384   1HG   MET  48          2HG       MET  48  13.468  -1.979  -8.856
  385   2HG   MET  48          1HG       MET  48  13.004  -0.286  -8.713
  386   1HE   MET  48          1HE       MET  48  15.793  -2.964  -8.122
  387   2HE   MET  48          2HE       MET  48  15.454  -2.436  -6.476
  388   3HE   MET  48          3HE       MET  48  17.004  -2.050  -7.223
  389    H    LEU  49           H        LEU  49  10.218  -0.199  -6.780
  390    HA   LEU  49           HA       LEU  49  10.228   1.757  -8.772
  391   1HB   LEU  49          2HB       LEU  49   8.124   0.396  -7.177
  392   2HB   LEU  49          1HB       LEU  49   7.661   1.834  -8.061
  393    HG   LEU  49           HG       LEU  49   8.422   0.782 -10.159
  394   1HD1  LEU  49          1HD1      LEU  49   8.923  -1.621 -10.192
  395   2HD1  LEU  49          2HD1      LEU  49   8.932  -1.629  -8.429
  396   3HD1  LEU  49          3HD1      LEU  49  10.136  -0.691  -9.313
  397   1HD2  LEU  49          1HD2      LEU  49   6.611  -0.829 -10.344
  398   2HD2  LEU  49          2HD2      LEU  49   6.093   0.603  -9.455
  399   3HD2  LEU  49          3HD2      LEU  49   6.466  -0.887  -8.588
  400    H    ILE  50           H        ILE  50   9.518   2.046  -5.321
  401    HA   ILE  50           HA       ILE  50   8.595   4.673  -5.268
  402    HB   ILE  50           HB       ILE  50  10.204   3.151  -3.212
  403   1HG1  ILE  50          2HG1      ILE  50   7.256   3.819  -3.367
  404   2HG1  ILE  50          1HG1      ILE  50   7.963   2.254  -3.752
  405   1HG2  ILE  50          1HG2      ILE  50   9.492   4.846  -1.587
  406   2HG2  ILE  50          2HG2      ILE  50   8.786   5.792  -2.898
  407   3HG2  ILE  50          3HG2      ILE  50  10.528   5.527  -2.843
  408   1HD1  ILE  50          1HD1      ILE  50   8.733   2.049  -1.437
  409   2HD1  ILE  50          2HD1      ILE  50   6.981   2.236  -1.542
  410   3HD1  ILE  50          3HD1      ILE  50   7.988   3.603  -1.060
  411    H    ASN  51           H        ASN  51  11.913   3.455  -5.002
  412    HA   ASN  51           HA       ASN  51  13.083   6.042  -4.786
  413   1HB   ASN  51          2HB       ASN  51  14.228   3.317  -5.394
  414   2HB   ASN  51          1HB       ASN  51  15.226   4.766  -5.327
  415   1HD2  ASN  51          1HD2      ASN  51  15.168   2.331  -3.652
  416   2HD2  ASN  51          2HD2      ASN  51  14.996   2.907  -2.033
  417    H    GLU  52           H        GLU  52  12.750   3.730  -7.452
  418    HA   GLU  52           HA       GLU  52  14.255   5.224  -9.314
  419   1HB   GLU  52          2HB       GLU  52  12.118   3.146  -9.794
  420   2HB   GLU  52          1HB       GLU  52  13.248   3.734 -11.005
  421   1HG   GLU  52          2HG       GLU  52  13.938   2.228  -8.493
  422   2HG   GLU  52          1HG       GLU  52  13.956   1.592 -10.135
  423    H    LYS  53           H        LYS  53  10.799   5.189  -8.560
  424    HA   LYS  53           HA       LYS  53  10.298   7.099 -10.708
  425   1HB   LYS  53          2HB       LYS  53   8.403   5.688  -8.828
  426   2HB   LYS  53          1HB       LYS  53   7.901   6.834 -10.064
  427   1HG   LYS  53          2HG       LYS  53   9.007   5.320 -11.752
  428   2HG   LYS  53          1HG       LYS  53   9.174   4.137 -10.453
  429   1HD   LYS  53          2HD       LYS  53   6.554   5.348 -11.348
  430   2HD   LYS  53          1HD       LYS  53   7.166   3.781 -11.879
  431   1HE   LYS  53          2HE       LYS  53   7.114   2.959  -9.601
  432   2HE   LYS  53          1HE       LYS  53   6.600   4.540  -9.016
  433   1HZ   LYS  53          1HZ       LYS  53   4.560   4.299 -10.298
  434   2HZ   LYS  53          2HZ       LYS  53   4.724   3.022  -9.200
  435   3HZ   LYS  53          3HZ       LYS  53   5.054   2.780 -10.842
  436    H    LYS  54           H        LYS  54  11.510   7.394  -7.761
  437    HA   LYS  54           HA       LYS  54  11.845   9.158  -6.362
  438   1HB   LYS  54          2HB       LYS  54  10.488  10.784  -8.520
  439   2HB   LYS  54          1HB       LYS  54  11.555  11.396  -7.264
  440   1HG   LYS  54          2HG       LYS  54  12.362   9.505  -9.468
  441   2HG   LYS  54          1HG       LYS  54  12.659  11.241  -9.447
  442   1HD   LYS  54          2HD       LYS  54  13.706   9.289  -7.399
  443   2HD   LYS  54          1HD       LYS  54  14.629   9.897  -8.773
  444   1HE   LYS  54          2HE       LYS  54  14.324  12.193  -7.921
  445   2HE   LYS  54          1HE       LYS  54  13.481  11.538  -6.519
  446   1HZ   LYS  54          1HZ       LYS  54  15.462  10.391  -5.858
  447   2HZ   LYS  54          2HZ       LYS  54  15.841  12.022  -6.096
  448   3HZ   LYS  54          3HZ       LYS  54  16.273  10.874  -7.257
  449    H    LEU  55           H        LEU  55   9.571   7.643  -5.847
  450    HA   LEU  55           HA       LEU  55   7.328   9.435  -5.428
  451   1HB   LEU  55          2HB       LEU  55   7.612   6.575  -4.521
  452   2HB   LEU  55          1HB       LEU  55   6.135   7.504  -4.629
  453    HG   LEU  55           HG       LEU  55   7.800   6.490  -6.925
  454   1HD1  LEU  55          1HD1      LEU  55   6.486   4.756  -5.930
  455   2HD1  LEU  55          2HD1      LEU  55   5.709   5.242  -7.437
  456   3HD1  LEU  55          3HD1      LEU  55   5.058   5.789  -5.894
  457   1HD2  LEU  55          1HD2      LEU  55   6.050   7.418  -8.374
  458   2HD2  LEU  55          2HD2      LEU  55   6.912   8.677  -7.488
  459   3HD2  LEU  55          3HD2      LEU  55   5.303   8.178  -6.969
  460    H    ASN  56           H        ASN  56   8.209  10.908  -3.887
  461    HA   ASN  56           HA       ASN  56   9.070   9.904  -1.341
  462   1HB   ASN  56          2HB       ASN  56   9.101  12.249  -0.609
  463   2HB   ASN  56          1HB       ASN  56   9.954  12.043  -2.129
  464   1HD2  ASN  56          1HD2      ASN  56   8.918  14.443  -0.999
  465   2HD2  ASN  56          2HD2      ASN  56   7.766  15.080  -2.124
  466    H    MET  57           H        MET  57   7.816   9.183   0.203
  467    HA   MET  57           HA       MET  57   4.969   9.177  -0.276
  468   1HB   MET  57          2HB       MET  57   6.685   7.788   1.780
  469   2HB   MET  57          1HB       MET  57   4.943   7.577   1.655
  470   1HG   MET  57          2HG       MET  57   6.993   6.898  -0.440
  471   2HG   MET  57          1HG       MET  57   6.073   5.763   0.548
  472   1HE   MET  57          1HE       MET  57   6.322   5.851  -2.725
  473   2HE   MET  57          2HE       MET  57   4.676   5.374  -3.142
  474   3HE   MET  57          3HE       MET  57   5.523   4.566  -1.822
  475    H    MET  58           H        MET  58   6.616  11.523   0.910
  476    HA   MET  58           HA       MET  58   5.131  12.036   3.347
  477   1HB   MET  58          2HB       MET  58   7.077  13.729   1.772
  478   2HB   MET  58          1HB       MET  58   6.333  14.227   3.286
  479   1HG   MET  58          2HG       MET  58   7.410  12.401   4.450
  480   2HG   MET  58          1HG       MET  58   8.096  11.813   2.936
  481   1HE   MET  58          1HE       MET  58   8.080  14.721   5.578
  482   2HE   MET  58          2HE       MET  58   7.721  15.571   4.075
  483   3HE   MET  58          3HE       MET  58   9.262  15.834   4.888
  484    H    ASN  59           H        ASN  59   4.564  12.237   0.085
  485    HA   ASN  59           HA       ASN  59   2.534  14.335   0.459
  486   1HB   ASN  59          2HB       ASN  59   3.971  13.403  -2.021
  487   2HB   ASN  59          1HB       ASN  59   2.458  14.299  -2.112
  488   1HD2  ASN  59          1HD2      ASN  59   5.829  14.443  -1.421
  489   2HD2  ASN  59          2HD2      ASN  59   5.940  16.165  -1.277
  490    H    ALA  60           H        ALA  60   0.430  13.900   0.062
  491    HA   ALA  60           HA       ALA  60  -0.454  11.245   0.355
  492   1HB   ALA  60          1HB       ALA  60  -2.057  13.614  -0.596
  493   2HB   ALA  60          2HB       ALA  60  -1.713  13.244   1.092
  494   3HB   ALA  60          3HB       ALA  60  -2.682  12.132   0.127
  495    H    GLU  61           H        GLU  61   0.268  13.155  -2.420
  496    HA   GLU  61           HA       GLU  61  -1.199  11.916  -4.419
  497   1HB   GLU  61          2HB       GLU  61   1.602  13.044  -4.548
  498   2HB   GLU  61          1HB       GLU  61   0.602  12.673  -5.947
  499   1HG   GLU  61          2HG       GLU  61   0.023  14.719  -3.818
  500   2HG   GLU  61          1HG       GLU  61   0.537  15.036  -5.477
  501    H    HIS  62           H        HIS  62   2.086  11.116  -3.305
  502    HA   HIS  62           HA       HIS  62   2.175   8.805  -5.023
  503   1HB   HIS  62          2HB       HIS  62   4.127   9.615  -2.859
  504   2HB   HIS  62          1HB       HIS  62   4.409   8.447  -4.147
  505    HD1  HIS  62           1HD      HIS  62   4.265   9.600  -6.681
  506    HD2  HIS  62           2HD      HIS  62   4.965  12.106  -3.443
  507    HE1  HIS  62           1HE      HIS  62   5.235  11.702  -7.651
  508    HE2  HIS  62           2HE      HIS  62   5.444  13.277  -5.694
  509    H    ARG  63           H        ARG  63   1.264   9.525  -1.797
  510    HA   ARG  63           HA       ARG  63   1.588   6.998  -0.600
  511   1HB   ARG  63          2HB       ARG  63   1.168   9.036   0.696
  512   2HB   ARG  63          1HB       ARG  63  -0.431   9.175  -0.020
  513   1HG   ARG  63          2HG       ARG  63  -0.599   8.301   2.219
  514   2HG   ARG  63          1HG       ARG  63  -1.081   7.066   1.055
  515   1HD   ARG  63          2HD       ARG  63   0.317   6.133   2.825
  516   2HD   ARG  63          1HD       ARG  63   1.099   6.005   1.253
  517    HE   ARG  63           HE       ARG  63   2.088   8.317   2.260
  518   1HH1  ARG  63          1HH1      ARG  63   1.867   5.069   3.525
  519   2HH1  ARG  63          2HH1      ARG  63   3.325   5.188   4.458
  520   1HH2  ARG  63          1HH2      ARG  63   4.007   8.497   3.495
  521   2HH2  ARG  63          2HH2      ARG  63   4.540   7.146   4.448
  522    H    LYS  64           H        LYS  64  -1.324   8.493  -2.072
  523    HA   LYS  64           HA       LYS  64  -2.812   6.074  -1.940
  524   1HB   LYS  64          2HB       LYS  64  -4.389   7.197  -3.521
  525   2HB   LYS  64          1HB       LYS  64  -4.056   8.115  -2.061
  526   1HG   LYS  64          2HG       LYS  64  -2.670   9.638  -3.228
  527   2HG   LYS  64          1HG       LYS  64  -2.651   8.618  -4.669
  528   1HD   LYS  64          2HD       LYS  64  -4.915   9.088  -5.154
  529   2HD   LYS  64          1HD       LYS  64  -5.192   9.783  -3.557
  530   1HE   LYS  64          2HE       LYS  64  -3.278  10.974  -5.549
  531   2HE   LYS  64          1HE       LYS  64  -4.980  11.422  -5.476
  532   1HZ   LYS  64          1HZ       LYS  64  -3.463  12.916  -4.211
  533   2HZ   LYS  64          2HZ       LYS  64  -3.137  11.622  -3.162
  534   3HZ   LYS  64          3HZ       LYS  64  -4.706  12.234  -3.278
  535    H    LEU  65           H        LEU  65  -0.617   7.442  -4.277
  536    HA   LEU  65           HA       LEU  65  -1.218   5.784  -6.464
  537   1HB   LEU  65          2HB       LEU  65   0.461   7.833  -6.096
  538   2HB   LEU  65          1HB       LEU  65   1.612   6.529  -5.900
  539    HG   LEU  65           HG       LEU  65   1.582   7.441  -8.188
  540   1HD1  LEU  65          1HD1      LEU  65   1.402   5.317  -9.387
  541   2HD1  LEU  65          2HD1      LEU  65   0.601   4.602  -7.988
  542   3HD1  LEU  65          3HD1      LEU  65   2.275   5.141  -7.865
  543   1HD2  LEU  65          1HD2      LEU  65  -0.312   7.086  -9.645
  544   2HD2  LEU  65          2HD2      LEU  65  -0.803   8.045  -8.250
  545   3HD2  LEU  65          3HD2      LEU  65  -1.218   6.333  -8.336
  546    H    LEU  66           H        LEU  66   1.104   5.402  -3.803
  547    HA   LEU  66           HA       LEU  66   2.120   2.879  -4.336
  548   1HB   LEU  66          2HB       LEU  66   2.897   4.345  -2.527
  549   2HB   LEU  66          1HB       LEU  66   1.389   4.100  -1.669
  550    HG   LEU  66           HG       LEU  66   2.001   1.627  -1.590
  551   1HD1  LEU  66          1HD1      LEU  66   3.701   1.607  -3.299
  552   2HD1  LEU  66          2HD1      LEU  66   4.403   1.137  -1.752
  553   3HD1  LEU  66          3HD1      LEU  66   4.673   2.760  -2.387
  554   1HD2  LEU  66          1HD2      LEU  66   3.443   1.941   0.353
  555   2HD2  LEU  66          2HD2      LEU  66   2.125   3.110   0.345
  556   3HD2  LEU  66          3HD2      LEU  66   3.747   3.608  -0.131
  557    H    GLU  67           H        GLU  67  -0.758   3.750  -2.472
  558    HA   GLU  67           HA       GLU  67  -1.652   1.203  -1.783
  559   1HB   GLU  67          2HB       GLU  67  -2.535   3.272  -0.819
  560   2HB   GLU  67          1HB       GLU  67  -3.232   3.715  -2.369
  561   1HG   GLU  67          2HG       GLU  67  -4.704   1.757  -2.245
  562   2HG   GLU  67          1HG       GLU  67  -4.027   1.366  -0.666
  563    H    GLN  68           H        GLN  68  -2.534   3.232  -4.549
  564    HA   GLN  68           HA       GLN  68  -4.353   1.469  -5.714
  565   1HB   GLN  68          2HB       GLN  68  -2.679   3.686  -6.878
  566   2HB   GLN  68          1HB       GLN  68  -3.872   2.803  -7.821
  567   1HG   GLN  68          2HG       GLN  68  -5.651   3.565  -6.458
  568   2HG   GLN  68          1HG       GLN  68  -4.543   4.211  -5.252
  569   1HE2  GLN  68          1HE2      GLN  68  -3.969   4.615  -8.659
  570   2HE2  GLN  68          2HE2      GLN  68  -4.308   6.307  -8.715
  571    H    GLU  69           H        GLU  69  -0.838   1.799  -6.285
  572    HA   GLU  69           HA       GLU  69  -0.728  -0.139  -8.349
  573   1HB   GLU  69          2HB       GLU  69   1.447   0.662  -6.406
  574   2HB   GLU  69          1HB       GLU  69   1.691  -0.257  -7.883
  575   1HG   GLU  69          2HG       GLU  69   0.563   1.813  -9.009
  576   2HG   GLU  69          1HG       GLU  69   1.057   2.628  -7.527
  577    H    MET  70           H        MET  70  -0.423  -0.352  -4.846
  578    HA   MET  70           HA       MET  70   0.456  -3.018  -4.706
  579   1HB   MET  70          2HB       MET  70   0.655  -1.443  -2.833
  580   2HB   MET  70          1HB       MET  70  -1.093  -1.413  -2.663
  581   1HG   MET  70          2HG       MET  70  -1.075  -3.792  -2.098
  582   2HG   MET  70          1HG       MET  70   0.679  -3.809  -2.249
  583   1HE   MET  70          1HE       MET  70   1.802  -1.528   0.709
  584   2HE   MET  70          2HE       MET  70   1.459  -0.960  -0.924
  585   3HE   MET  70          3HE       MET  70   2.308  -2.488  -0.681
  586    H    VAL  71           H        VAL  71  -2.809  -1.639  -4.368
  587    HA   VAL  71           HA       VAL  71  -4.079  -4.128  -3.922
  588    HB   VAL  71           HB       VAL  71  -5.328  -1.590  -5.004
  589   1HG1  VAL  71          1HG1      VAL  71  -6.734  -3.592  -5.270
  590   2HG1  VAL  71          2HG1      VAL  71  -7.409  -2.467  -4.093
  591   3HG1  VAL  71          3HG1      VAL  71  -6.576  -3.922  -3.544
  592   1HG2  VAL  71          1HG2      VAL  71  -4.138  -1.194  -2.905
  593   2HG2  VAL  71          2HG2      VAL  71  -5.007  -2.532  -2.153
  594   3HG2  VAL  71          3HG2      VAL  71  -5.883  -1.093  -2.674
  595    H    SER  72           H        SER  72  -3.277  -2.366  -6.850
  596    HA   SER  72           HA       SER  72  -4.940  -3.911  -8.569
  597   1HB   SER  72          2HB       SER  72  -2.491  -2.262  -9.241
  598   2HB   SER  72          1HB       SER  72  -3.671  -2.877 -10.400
  599    HG   SER  72           HG       SER  72  -3.926  -0.834  -8.492
  600    H    PHE  73           H        PHE  73  -1.636  -4.246  -7.424
  601    HA   PHE  73           HA       PHE  73  -1.079  -6.378  -9.317
  602   1HB   PHE  73          2HB       PHE  73   0.643  -4.673  -8.689
  603   2HB   PHE  73          1HB       PHE  73   0.656  -5.346  -7.063
  604    HD1  PHE  73           1HD      PHE  73   1.657  -5.840 -10.528
  605    HD2  PHE  73           2HD      PHE  73   1.632  -7.533  -6.626
  606    HE1  PHE  73           1HE      PHE  73   3.356  -7.473 -11.232
  607    HE2  PHE  73           2HE      PHE  73   3.332  -9.172  -7.320
  608    HZ   PHE  73           HZ       PHE  73   4.197  -9.142  -9.623
  609    H    LEU  74           H        LEU  74  -1.101  -6.049  -5.757
  610    HA   LEU  74           HA       LEU  74  -0.678  -8.846  -5.381
  611   1HB   LEU  74          2HB       LEU  74  -1.347  -6.586  -3.517
  612   2HB   LEU  74          1HB       LEU  74  -1.248  -8.244  -2.953
  613    HG   LEU  74           HG       LEU  74   1.001  -6.670  -4.214
  614   1HD1  LEU  74          1HD1      LEU  74   1.994  -6.760  -1.982
  615   2HD1  LEU  74          2HD1      LEU  74   0.548  -7.562  -1.371
  616   3HD1  LEU  74          3HD1      LEU  74   0.452  -5.907  -1.969
  617   1HD2  LEU  74          1HD2      LEU  74   1.183  -9.039  -4.752
  618   2HD2  LEU  74          2HD2      LEU  74   0.968  -9.458  -3.053
  619   3HD2  LEU  74          3HD2      LEU  74   2.406  -8.582  -3.570
  620    H    PHE  75           H        PHE  75  -3.493  -6.735  -4.823
  621    HA   PHE  75           HA       PHE  75  -5.135  -8.978  -4.066
  622   1HB   PHE  75          2HB       PHE  75  -5.407  -6.668  -3.104
  623   2HB   PHE  75          1HB       PHE  75  -6.009  -6.141  -4.672
  624    HD1  PHE  75           1HD      PHE  75  -8.237  -6.565  -5.335
  625    HD2  PHE  75           2HD      PHE  75  -6.675  -8.344  -1.797
  626    HE1  PHE  75           1HE      PHE  75 -10.506  -7.255  -4.686
  627    HE2  PHE  75           2HE      PHE  75  -8.939  -9.043  -1.145
  628    HZ   PHE  75           HZ       PHE  75 -10.860  -8.499  -2.589
  629    H    GLU  76           H        GLU  76  -4.817  -6.824  -6.831
  630    HA   GLU  76           HA       GLU  76  -5.604  -6.860  -8.943
  631   1HB   GLU  76          2HB       GLU  76  -4.325  -8.995  -8.962
  632   2HB   GLU  76          1HB       GLU  76  -5.800  -9.850  -8.545
  633   1HG   GLU  76          2HG       GLU  76  -6.777  -9.430 -10.614
  634   2HG   GLU  76          1HG       GLU  76  -5.654  -8.126 -10.984
  635    H    GLY  77           H        GLY  77  -7.419  -5.724  -8.102
  636   1HA   GLY  77          2HA       GLY  77  -9.873  -6.374  -9.056
  637   2HA   GLY  77          1HA       GLY  77  -9.850  -7.128  -7.466
  638    H    LYS  78           H        LYS  78  -8.859  -4.028  -8.893
  639    HA   LYS  78           HA       LYS  78 -10.015  -2.712  -6.538
  640   1HB   LYS  78          2HB       LYS  78  -8.484  -0.796  -7.132
  641   2HB   LYS  78          1HB       LYS  78  -7.695  -2.255  -6.565
  642   1HG   LYS  78          2HG       LYS  78  -6.378  -1.505  -8.339
  643   2HG   LYS  78          1HG       LYS  78  -7.322  -2.827  -9.015
  644   1HD   LYS  78          2HD       LYS  78  -8.828  -1.263 -10.074
  645   2HD   LYS  78          1HD       LYS  78  -8.023   0.094  -9.285
  646   1HE   LYS  78          2HE       LYS  78  -7.274  -0.028 -11.563
  647   2HE   LYS  78          1HE       LYS  78  -5.944  -0.495 -10.508
  648   1HZ   LYS  78          1HZ       LYS  78  -7.698  -2.344 -12.026
  649   2HZ   LYS  78          2HZ       LYS  78  -6.455  -2.818 -10.989
  650   3HZ   LYS  78          3HZ       LYS  78  -6.094  -1.965 -12.402
  651    H    ASP  79           H        ASP  79 -11.090  -0.674  -6.854
  652    HA   ASP  79           HA       ASP  79 -12.471  -0.574  -9.437
  653   1HB   ASP  79          2HB       ASP  79 -14.237   0.614  -8.301
  654   2HB   ASP  79          1HB       ASP  79 -13.823  -0.800  -7.338
  655    H    VAL  80           H        VAL  80 -10.266   1.134  -7.453
  656    HA   VAL  80           HA       VAL  80 -10.708   3.737  -8.554
  657    HB   VAL  80           HB       VAL  80  -8.257   2.734  -7.099
  658   1HG1  VAL  80          1HG1      VAL  80  -9.360   5.517  -7.475
  659   2HG1  VAL  80          2HG1      VAL  80  -7.921   4.852  -8.251
  660   3HG1  VAL  80          3HG1      VAL  80  -7.950   5.093  -6.504
  661   1HG2  VAL  80          1HG2      VAL  80 -10.767   3.971  -5.969
  662   2HG2  VAL  80          2HG2      VAL  80  -9.292   3.638  -5.060
  663   3HG2  VAL  80          3HG2      VAL  80 -10.229   2.306  -5.741
  664    H    HIS  81           H        HIS  81 -10.191   4.277 -10.566
  665    HA   HIS  81           HA       HIS  81  -8.351   2.797 -12.162
  666   1HB   HIS  81          2HB       HIS  81 -10.004   5.238 -12.535
  667   2HB   HIS  81          1HB       HIS  81  -8.620   5.033 -13.601
  668    HD1  HIS  81           1HD      HIS  81  -9.408   4.125 -15.742
  669    HD2  HIS  81           2HD      HIS  81 -11.431   2.447 -12.523
  670    HE1  HIS  81           1HE      HIS  81 -10.955   2.414 -16.737
  671    HE2  HIS  81           2HE      HIS  81 -12.280   1.523 -14.785
  672    H    ILE  82           H        ILE  82  -6.307   3.354 -12.885
  673    HA   ILE  82           HA       ILE  82  -4.988   5.476 -11.325
  674    HB   ILE  82           HB       ILE  82  -3.608   3.137 -12.648
  675   1HG1  ILE  82          2HG1      ILE  82  -4.468   3.428  -9.754
  676   2HG1  ILE  82          1HG1      ILE  82  -5.155   2.305 -10.921
  677   1HG2  ILE  82          1HG2      ILE  82  -1.748   3.762 -11.169
  678   2HG2  ILE  82          2HG2      ILE  82  -2.701   5.112 -10.550
  679   3HG2  ILE  82          3HG2      ILE  82  -2.207   5.087 -12.244
  680   1HD1  ILE  82          1HD1      ILE  82  -3.022   1.145 -11.071
  681   2HD1  ILE  82          2HD1      ILE  82  -3.613   1.193  -9.411
  682   3HD1  ILE  82          3HD1      ILE  82  -2.319   2.280  -9.918
  683    H    GLU  83           H        GLU  83  -5.519   7.096 -12.786
  684    HA   GLU  83           HA       GLU  83  -3.724   7.396 -15.002
  685   1HB   GLU  83          2HB       GLU  83  -6.618   6.820 -15.466
  686   2HB   GLU  83          1HB       GLU  83  -5.865   8.064 -16.454
  687   1HG   GLU  83          2HG       GLU  83  -4.994   5.189 -16.237
  688   2HG   GLU  83          1HG       GLU  83  -5.834   5.935 -17.597
  689    H    GLY  84           H        GLY  84  -4.325   9.564 -16.147
  690   1HA   GLY  84          2HA       GLY  84  -4.515  11.569 -14.107
  691   2HA   GLY  84          1HA       GLY  84  -4.336  11.850 -15.832
  692    H    TYR  85           H        TYR  85  -6.490  11.755 -13.185
  693    HA   TYR  85           HA       TYR  85  -8.803  12.078 -14.964
  694   1HB   TYR  85          2HB       TYR  85 -10.149  11.818 -12.829
  695   2HB   TYR  85          1HB       TYR  85  -9.253  10.398 -13.348
  696    HD1  TYR  85           1HD      TYR  85  -9.238  13.204 -10.923
  697    HD2  TYR  85           2HD      TYR  85  -7.640   9.402 -11.955
  698    HE1  TYR  85           1HE      TYR  85  -8.177  13.055  -8.711
  699    HE2  TYR  85           2HE      TYR  85  -6.576   9.242  -9.746
  700    HH   TYR  85           HH       TYR  85  -5.792  10.773  -7.976
  701    H    THR  86           H        THR  86 -10.390  13.733 -14.431
  702    HA   THR  86           HA       THR  86  -9.209  16.076 -13.104
  703    HB   THR  86           HB       THR  86 -10.919  16.165 -15.599
  704    HG1  THR  86           1HG      THR  86  -8.156  16.013 -15.202
  705   1HG2  THR  86          1HG2      THR  86  -9.350  18.337 -14.204
  706   2HG2  THR  86          2HG2      THR  86 -11.098  18.127 -14.109
  707   3HG2  THR  86          3HG2      THR  86 -10.341  18.520 -15.652
  708    HA   PRO  87           HA       PRO  87 -13.243  15.385 -11.123
  709   1HB   PRO  87          2HB       PRO  87 -12.539  16.227  -8.668
  710   2HB   PRO  87          1HB       PRO  87 -12.076  14.635  -9.277
  711   1HG   PRO  87          2HG       PRO  87 -10.449  17.115  -9.025
  712   2HG   PRO  87          1HG       PRO  87  -9.962  15.428  -8.795
  713   1HD   PRO  87          2HD       PRO  87  -9.500  16.960 -11.075
  714   2HD   PRO  87          1HD       PRO  87  -9.423  15.192 -10.990
  715    H    GLU  88           H        GLU  88 -14.878  16.775 -11.163
  716    HA   GLU  88           HA       GLU  88 -14.416  19.583 -11.552
  717   1HB   GLU  88          2HB       GLU  88 -16.240  18.316 -12.681
  718   2HB   GLU  88          1HB       GLU  88 -17.019  18.108 -11.119
  719   1HG   GLU  88          2HG       GLU  88 -17.242  20.541 -10.917
  720   2HG   GLU  88          1HG       GLU  88 -16.495  20.732 -12.504
  721    H    ASP  89           H        ASP  89 -15.616  17.516  -8.981
  722    HA   ASP  89           HA       ASP  89 -15.135  19.640  -7.044
  723   1HB   ASP  89          2HB       ASP  89 -17.647  19.477  -7.847
  724   2HB   ASP  89          1HB       ASP  89 -17.683  18.071  -6.787
  725    H    LYS  90           H        LYS  90 -15.679  18.495  -4.730
  726    HA   LYS  90           HA       LYS  90 -14.950  15.695  -4.727
  727   1HB   LYS  90          2HB       LYS  90 -12.899  16.012  -3.394
  728   2HB   LYS  90          1HB       LYS  90 -12.754  16.683  -5.010
  729   1HG   LYS  90          2HG       LYS  90 -13.165  18.922  -4.108
  730   2HG   LYS  90          1HG       LYS  90 -13.276  18.240  -2.485
  731   1HD   LYS  90          2HD       LYS  90 -10.968  17.426  -2.679
  732   2HD   LYS  90          1HD       LYS  90 -10.863  18.129  -4.294
  733   1HE   LYS  90          2HE       LYS  90 -11.334  19.633  -1.725
  734   2HE   LYS  90          1HE       LYS  90  -9.820  19.577  -2.626
  735   1HZ   LYS  90          1HZ       LYS  90 -11.046  21.604  -3.084
  736   2HZ   LYS  90          2HZ       LYS  90 -12.381  20.716  -3.614
  737   3HZ   LYS  90          3HZ       LYS  90 -10.932  20.661  -4.481
  738    H    LYS  91           H        LYS  91 -16.893  17.857  -3.640
  739    HA   LYS  91           HA       LYS  91 -16.780  17.034  -0.822
  740   1HB   LYS  91          2HB       LYS  91 -16.844  19.472  -1.293
  741   2HB   LYS  91          1HB       LYS  91 -18.387  19.253  -2.102
  742   1HG   LYS  91          2HG       LYS  91 -19.420  18.561  -0.037
  743   2HG   LYS  91          1HG       LYS  91 -17.865  18.634   0.798
  744   1HD   LYS  91          2HD       LYS  91 -17.742  21.037   0.355
  745   2HD   LYS  91          1HD       LYS  91 -19.290  20.962  -0.485
  746   1HE   LYS  91          2HE       LYS  91 -20.379  20.236   1.571
  747   2HE   LYS  91          1HE       LYS  91 -18.830  20.276   2.413
  748   1HZ   LYS  91          1HZ       LYS  91 -18.713  22.639   2.070
  749   2HZ   LYS  91          2HZ       LYS  91 -20.184  22.258   2.816
  750   3HZ   LYS  91          3HZ       LYS  91 -20.146  22.627   1.168
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1   2.328 -23.841   8.054
    2   2H    MET   1          2HT       MET   1   2.109 -23.698   9.726
    3   3H    MET   1          3HT       MET   1   1.986 -22.329   8.732
    4    HA   MET   1           HA       MET   1   0.034 -23.120   7.710
    5   1HB   MET   1          2HB       MET   1   0.641 -25.515   7.716
    6   2HB   MET   1          1HB       MET   1   0.359 -25.572   9.451
    7   1HG   MET   1          2HG       MET   1  -1.990 -24.997   9.080
    8   2HG   MET   1          1HG       MET   1  -1.704 -24.972   7.342
    9   1HE   MET   1          1HE       MET   1  -1.452 -28.760   9.972
   10   2HE   MET   1          2HE       MET   1  -1.890 -27.164  10.579
   11   3HE   MET   1          3HE       MET   1  -0.241 -27.480  10.038
   12    H    SER   2           H        SER   2  -0.432 -21.193   8.903
   13    HA   SER   2           HA       SER   2  -1.638 -21.675  11.538
   14   1HB   SER   2          2HB       SER   2  -1.772 -19.178  11.669
   15   2HB   SER   2          1HB       SER   2  -0.125 -19.777  11.496
   16    HG   SER   2           HG       SER   2  -0.554 -19.394   9.120
   17    H    ARG   3           H        ARG   3  -2.345 -19.988   8.494
   18    HA   ARG   3           HA       ARG   3  -4.932 -21.313   8.455
   19   1HB   ARG   3          2HB       ARG   3  -5.318 -19.075   9.484
   20   2HB   ARG   3          1HB       ARG   3  -4.678 -18.329   8.025
   21   1HG   ARG   3          2HG       ARG   3  -6.488 -19.078   6.723
   22   2HG   ARG   3          1HG       ARG   3  -7.034 -20.190   7.980
   23   1HD   ARG   3          2HD       ARG   3  -7.058 -17.174   8.123
   24   2HD   ARG   3          1HD       ARG   3  -8.458 -18.221   7.892
   25    HE   ARG   3           HE       ARG   3  -6.813 -18.424  10.326
   26   1HH1  ARG   3          1HH1      ARG   3  -9.915 -17.834   8.799
   27   2HH1  ARG   3          2HH1      ARG   3 -10.795 -17.898  10.292
   28   1HH2  ARG   3          1HH2      ARG   3  -7.968 -18.493  12.277
   29   2HH2  ARG   3          2HH2      ARG   3  -9.689 -18.278  12.272
   30    H    THR   4           H        THR   4  -4.247 -22.563   6.789
   31    HA   THR   4           HA       THR   4  -2.829 -21.603   4.539
   32    HB   THR   4           HB       THR   4  -4.511 -24.109   4.732
   33    HG1  THR   4           1HG      THR   4  -1.922 -24.625   5.011
   34   1HG2  THR   4          1HG2      THR   4  -2.171 -23.396   2.955
   35   2HG2  THR   4          2HG2      THR   4  -3.854 -23.542   2.448
   36   3HG2  THR   4          3HG2      THR   4  -2.978 -24.963   3.011
   37    H    ILE   5           H        ILE   5  -3.607 -20.258   3.087
   38    HA   ILE   5           HA       ILE   5  -6.404 -20.570   2.235
   39    HB   ILE   5           HB       ILE   5  -6.319 -18.071   1.717
   40   1HG1  ILE   5          2HG1      ILE   5  -4.809 -16.858   3.446
   41   2HG1  ILE   5          1HG1      ILE   5  -3.878 -18.351   3.460
   42   1HG2  ILE   5          1HG2      ILE   5  -6.933 -17.473   4.040
   43   2HG2  ILE   5          2HG2      ILE   5  -6.331 -19.045   4.565
   44   3HG2  ILE   5          3HG2      ILE   5  -7.705 -18.951   3.465
   45   1HD1  ILE   5          1HD1      ILE   5  -4.395 -16.585   1.079
   46   2HD1  ILE   5          2HD1      ILE   5  -3.504 -18.106   1.047
   47   3HD1  ILE   5          3HD1      ILE   5  -2.880 -16.739   1.970
   48    H    PHE   6           H        PHE   6  -6.843 -19.878   0.030
   49    HA   PHE   6           HA       PHE   6  -4.575 -20.372  -1.724
   50   1HB   PHE   6          2HB       PHE   6  -7.542 -20.111  -2.241
   51   2HB   PHE   6          1HB       PHE   6  -6.361 -20.218  -3.542
   52    HD1  PHE   6           1HD      PHE   6  -8.053 -22.025  -0.859
   53    HD2  PHE   6           2HD      PHE   6  -5.164 -22.277  -3.971
   54    HE1  PHE   6           1HE      PHE   6  -8.116 -24.479  -0.715
   55    HE2  PHE   6           2HE      PHE   6  -5.219 -24.731  -3.830
   56    HZ   PHE   6           HZ       PHE   6  -6.696 -25.836  -2.202
   57    H    CYS   7           H        CYS   7  -3.334 -18.603  -1.682
   58    HA   CYS   7           HA       CYS   7  -4.103 -15.961  -1.438
   59   1HB   CYS   7          2HB       CYS   7  -1.795 -16.702  -1.168
   60   2HB   CYS   7          1HB       CYS   7  -1.697 -17.088  -2.881
   61    HG   CYS   7           HG       CYS   7  -2.380 -13.905  -1.893
   62    H    THR   8           H        THR   8  -4.606 -14.317  -2.825
   63    HA   THR   8           HA       THR   8  -6.067 -14.920  -5.122
   64    HB   THR   8           HB       THR   8  -5.696 -12.369  -5.565
   65    HG1  THR   8           1HG      THR   8  -4.579 -11.316  -4.076
   66   1HG2  THR   8          1HG2      THR   8  -7.367 -11.820  -3.865
   67   2HG2  THR   8          2HG2      THR   8  -7.048 -13.350  -3.048
   68   3HG2  THR   8          3HG2      THR   8  -7.758 -13.344  -4.662
   69    H    TYR   9           H        TYR   9  -2.716 -13.897  -4.740
   70    HA   TYR   9           HA       TYR   9  -2.333 -13.590  -7.583
   71   1HB   TYR   9          2HB       TYR   9  -1.183 -12.121  -5.958
   72   2HB   TYR   9          1HB       TYR   9  -0.307 -13.516  -5.338
   73    HD1  TYR   9           1HD      TYR   9   1.670 -14.276  -6.394
   74    HD2  TYR   9           2HD      TYR   9  -0.782 -11.391  -8.337
   75    HE1  TYR   9           1HE      TYR   9   3.431 -13.918  -8.071
   76    HE2  TYR   9           2HE      TYR   9   0.974 -11.025 -10.021
   77    HH   TYR   9           HH       TYR   9   3.443 -11.303 -10.211
   78    H    LEU  10           H        LEU  10  -1.418 -15.927  -5.086
   79    HA   LEU  10           HA       LEU  10   0.269 -17.409  -6.899
   80   1HB   LEU  10          2HB       LEU  10  -0.655 -18.144  -4.125
   81   2HB   LEU  10          1HB       LEU  10   0.621 -18.930  -5.031
   82    HG   LEU  10           HG       LEU  10   0.687 -16.074  -4.047
   83   1HD1  LEU  10          1HD1      LEU  10   2.161 -18.516  -3.067
   84   2HD1  LEU  10          2HD1      LEU  10   0.828 -17.715  -2.236
   85   3HD1  LEU  10          3HD1      LEU  10   2.356 -16.867  -2.470
   86   1HD2  LEU  10          1HD2      LEU  10   2.812 -17.749  -5.380
   87   2HD2  LEU  10          2HD2      LEU  10   3.029 -16.120  -4.737
   88   3HD2  LEU  10          3HD2      LEU  10   1.956 -16.392  -6.109
   89    H    GLN  11           H        GLN  11  -2.966 -17.696  -5.579
   90    HA   GLN  11           HA       GLN  11  -4.702 -19.086  -5.980
   91   1HB   GLN  11          2HB       GLN  11  -3.131 -19.520  -8.509
   92   2HB   GLN  11          1HB       GLN  11  -4.654 -20.346  -8.212
   93   1HG   GLN  11          2HG       GLN  11  -4.260 -17.360  -8.293
   94   2HG   GLN  11          1HG       GLN  11  -4.966 -18.350  -9.571
   95   1HE2  GLN  11          1HE2      GLN  11  -5.444 -16.966  -6.425
   96   2HE2  GLN  11          2HE2      GLN  11  -7.139 -17.289  -6.315
   97    H    ARG  12           H        ARG  12  -2.161 -20.044  -4.666
   98    HA   ARG  12           HA       ARG  12  -2.783 -22.913  -4.792
   99   1HB   ARG  12          2HB       ARG  12  -0.024 -21.731  -4.420
  100   2HB   ARG  12          1HB       ARG  12  -0.427 -23.440  -4.481
  101   1HG   ARG  12          2HG       ARG  12  -1.198 -23.117  -6.820
  102   2HG   ARG  12          1HG       ARG  12  -0.614 -21.453  -6.734
  103   1HD   ARG  12          2HD       ARG  12   1.052 -22.846  -7.793
  104   2HD   ARG  12          1HD       ARG  12   1.643 -22.308  -6.220
  105    HE   ARG  12           HE       ARG  12   0.338 -24.855  -6.107
  106   1HH1  ARG  12          1HH1      ARG  12   3.360 -23.260  -6.848
  107   2HH1  ARG  12          2HH1      ARG  12   4.326 -24.659  -6.509
  108   1HH2  ARG  12          1HH2      ARG  12   1.600 -26.704  -5.684
  109   2HH2  ARG  12          2HH2      ARG  12   3.324 -26.625  -5.863
  110    H    ASP  13           H        ASP  13  -1.694 -23.996  -2.778
  111    HA   ASP  13           HA       ASP  13  -2.832 -22.918  -0.446
  112   1HB   ASP  13          2HB       ASP  13  -0.716 -25.040  -0.829
  113   2HB   ASP  13          1HB       ASP  13  -1.410 -24.630   0.732
  114    H    ALA  14           H        ALA  14  -2.178 -21.172   0.591
  115    HA   ALA  14           HA       ALA  14   0.713 -20.747   0.909
  116   1HB   ALA  14          1HB       ALA  14  -1.298 -18.595   0.258
  117   2HB   ALA  14          2HB       ALA  14  -0.123 -19.276  -0.869
  118   3HB   ALA  14          3HB       ALA  14   0.429 -18.365   0.537
  119    H    GLU  15           H        GLU  15   0.985 -18.865   2.602
  120    HA   GLU  15           HA       GLU  15  -0.502 -19.791   4.949
  121   1HB   GLU  15          2HB       GLU  15   1.939 -20.059   4.987
  122   2HB   GLU  15          1HB       GLU  15   2.140 -18.333   4.727
  123   1HG   GLU  15          2HG       GLU  15   2.502 -18.695   7.013
  124   2HG   GLU  15          1HG       GLU  15   0.895 -17.983   6.885
  125    H    GLY  16           H        GLY  16  -1.759 -18.451   6.098
  126   1HA   GLY  16          2HA       GLY  16  -2.383 -15.842   5.189
  127   2HA   GLY  16          1HA       GLY  16  -2.865 -16.540   6.731
  128    H    GLN  17           H        GLN  17  -1.441 -13.941   5.582
  129    HA   GLN  17           HA       GLN  17   0.971 -13.857   7.139
  130   1HB   GLN  17          2HB       GLN  17  -0.550 -11.865   5.493
  131   2HB   GLN  17          1HB       GLN  17   0.774 -11.342   6.516
  132   1HG   GLN  17          2HG       GLN  17   1.199 -13.567   4.590
  133   2HG   GLN  17          1HG       GLN  17   1.150 -11.908   4.001
  134   1HE2  GLN  17          1HE2      GLN  17   2.370 -12.764   7.160
  135   2HE2  GLN  17          2HE2      GLN  17   4.025 -12.406   6.823
  136    H    ASP  18           H        ASP  18   0.866 -13.761   9.308
  137    HA   ASP  18           HA       ASP  18  -1.264 -12.201  10.539
  138   1HB   ASP  18          2HB       ASP  18   0.613 -14.279  11.542
  139   2HB   ASP  18          1HB       ASP  18  -0.015 -13.102  12.691
  140    H    PHE  19           H        PHE  19  -0.740 -10.128  10.215
  141    HA   PHE  19           HA       PHE  19   1.439  -9.108  11.846
  142   1HB   PHE  19          2HB       PHE  19   1.197  -8.731   8.892
  143   2HB   PHE  19          1HB       PHE  19   1.826  -7.410   9.866
  144    HD1  PHE  19           1HD      PHE  19   2.564 -10.529   8.272
  145    HD2  PHE  19           2HD      PHE  19   3.836  -7.855  11.327
  146    HE1  PHE  19           1HE      PHE  19   4.790 -11.578   8.265
  147    HE2  PHE  19           2HE      PHE  19   6.062  -8.894  11.320
  148    HZ   PHE  19           HZ       PHE  19   6.542 -10.761   9.789
  149    H    GLN  20           H        GLN  20   0.787  -7.505  13.034
  150    HA   GLN  20           HA       GLN  20  -1.355  -5.718  12.109
  151   1HB   GLN  20          2HB       GLN  20  -1.169  -7.160  14.753
  152   2HB   GLN  20          1HB       GLN  20  -2.160  -5.725  14.535
  153   1HG   GLN  20          2HG       GLN  20  -2.465  -8.234  12.906
  154   2HG   GLN  20          1HG       GLN  20  -3.376  -7.898  14.377
  155   1HE2  GLN  20          1HE2      GLN  20  -2.866  -7.017  11.052
  156   2HE2  GLN  20          2HE2      GLN  20  -4.310  -6.077  10.878
  157    H    LEU  21           H        LEU  21   1.524  -5.504  12.162
  158    HA   LEU  21           HA       LEU  21   2.366  -4.100  14.496
  159   1HB   LEU  21          2HB       LEU  21   4.505  -3.871  13.430
  160   2HB   LEU  21          1HB       LEU  21   3.909  -5.492  13.197
  161    HG   LEU  21           HG       LEU  21   4.967  -4.949  11.191
  162   1HD1  LEU  21          1HD1      LEU  21   2.819  -5.963  10.775
  163   2HD1  LEU  21          2HD1      LEU  21   3.248  -4.844   9.482
  164   3HD1  LEU  21          3HD1      LEU  21   2.060  -4.374  10.698
  165   1HD2  LEU  21          1HD2      LEU  21   5.295  -2.597  11.506
  166   2HD2  LEU  21          2HD2      LEU  21   3.580  -2.282  11.242
  167   3HD2  LEU  21          3HD2      LEU  21   4.581  -2.881   9.918
  168    H    TYR  22           H        TYR  22   0.500  -3.125  11.983
  169    HA   TYR  22           HA       TYR  22   0.744  -0.379  12.709
  170   1HB   TYR  22          2HB       TYR  22   2.574  -0.418  11.133
  171   2HB   TYR  22          1HB       TYR  22   1.579  -1.208   9.922
  172    HD1  TYR  22           1HD      TYR  22   0.228   0.057   8.445
  173    HD2  TYR  22           2HD      TYR  22   2.045   1.954  11.793
  174    HE1  TYR  22           1HE      TYR  22  -0.405   2.255   7.537
  175    HE2  TYR  22           2HE      TYR  22   1.412   4.154  10.897
  176    HH   TYR  22           HH       TYR  22   0.876   5.166   8.725
  177    HA   PRO  23           HA       PRO  23  -3.073  -0.944   9.965
  178   1HB   PRO  23          2HB       PRO  23  -3.448  -3.061   8.400
  179   2HB   PRO  23          1HB       PRO  23  -2.354  -1.762   7.915
  180   1HG   PRO  23          2HG       PRO  23  -1.721  -4.449   9.056
  181   2HG   PRO  23          1HG       PRO  23  -0.892  -3.555   7.769
  182   1HD   PRO  23          2HD       PRO  23  -0.086  -3.661  10.421
  183   2HD   PRO  23          1HD       PRO  23   0.399  -2.425   9.250
  184    H    GLY  24           H        GLY  24  -5.151  -2.110  10.035
  185   1HA   GLY  24          2HA       GLY  24  -5.205  -4.235  12.084
  186   2HA   GLY  24          1HA       GLY  24  -6.342  -2.895  12.101
  187    H    GLU  25           H        GLU  25  -8.104  -2.921  10.798
  188    HA   GLU  25           HA       GLU  25  -9.117  -5.362   9.896
  189   1HB   GLU  25          2HB       GLU  25 -10.465  -3.352  10.519
  190   2HB   GLU  25          1HB       GLU  25  -9.964  -2.591   9.019
  191   1HG   GLU  25          2HG       GLU  25 -11.342  -5.238   8.962
  192   2HG   GLU  25          1HG       GLU  25 -12.276  -3.763   9.185
  193    H    LEU  26           H        LEU  26  -7.984  -2.584   7.972
  194    HA   LEU  26           HA       LEU  26  -8.178  -3.861   5.484
  195   1HB   LEU  26          2HB       LEU  26  -7.984  -1.415   5.811
  196   2HB   LEU  26          1HB       LEU  26  -6.312  -1.630   6.292
  197    HG   LEU  26           HG       LEU  26  -5.789  -2.502   4.040
  198   1HD1  LEU  26          1HD1      LEU  26  -7.439  -2.238   2.241
  199   2HD1  LEU  26          2HD1      LEU  26  -8.657  -1.787   3.435
  200   3HD1  LEU  26          3HD1      LEU  26  -7.965  -3.408   3.450
  201   1HD2  LEU  26          1HD2      LEU  26  -5.462  -0.145   4.512
  202   2HD2  LEU  26          2HD2      LEU  26  -7.140   0.192   4.086
  203   3HD2  LEU  26          3HD2      LEU  26  -6.012  -0.367   2.852
  204    H    GLY  27           H        GLY  27  -5.637  -3.793   7.892
  205   1HA   GLY  27          2HA       GLY  27  -3.552  -4.929   6.410
  206   2HA   GLY  27          1HA       GLY  27  -3.766  -5.093   8.149
  207    H    LYS  28           H        LYS  28  -5.726  -6.640   8.670
  208    HA   LYS  28           HA       LYS  28  -4.969  -9.223   7.891
  209   1HB   LYS  28          2HB       LYS  28  -7.545  -8.215   9.105
  210   2HB   LYS  28          1HB       LYS  28  -7.191  -9.920   8.867
  211   1HG   LYS  28          2HG       LYS  28  -5.230  -9.699  10.325
  212   2HG   LYS  28          1HG       LYS  28  -5.645  -8.006  10.598
  213   1HD   LYS  28          2HD       LYS  28  -7.736  -8.634  11.623
  214   2HD   LYS  28          1HD       LYS  28  -7.462 -10.331  11.224
  215   1HE   LYS  28          2HE       LYS  28  -5.720  -8.683  13.053
  216   2HE   LYS  28          1HE       LYS  28  -6.981  -9.791  13.589
  217   1HZ   LYS  28          1HZ       LYS  28  -4.779 -10.802  13.668
  218   2HZ   LYS  28          2HZ       LYS  28  -4.595 -10.566  12.005
  219   3HZ   LYS  28          3HZ       LYS  28  -5.788 -11.613  12.580
  220    H    ARG  29           H        ARG  29  -7.395  -7.034   6.644
  221    HA   ARG  29           HA       ARG  29  -8.872  -8.678   4.996
  222   1HB   ARG  29          2HB       ARG  29  -9.211  -6.227   5.474
  223   2HB   ARG  29          1HB       ARG  29  -7.942  -5.890   4.307
  224   1HG   ARG  29          2HG       ARG  29  -9.257  -6.876   2.541
  225   2HG   ARG  29          1HG       ARG  29 -10.517  -7.319   3.698
  226   1HD   ARG  29          2HD       ARG  29 -10.628  -4.837   4.268
  227   2HD   ARG  29          1HD       ARG  29  -9.671  -4.577   2.810
  228    HE   ARG  29           HE       ARG  29 -11.477  -5.390   1.510
  229   1HH1  ARG  29          1HH1      ARG  29 -12.209  -5.022   4.927
  230   2HH1  ARG  29          2HH1      ARG  29 -13.928  -5.083   4.685
  231   1HH2  ARG  29          1HH2      ARG  29 -13.725  -5.471   1.199
  232   2HH2  ARG  29          2HH2      ARG  29 -14.794  -5.328   2.558
  233    H    ILE  30           H        ILE  30  -5.794  -7.068   4.311
  234    HA   ILE  30           HA       ILE  30  -5.572  -8.239   1.688
  235    HB   ILE  30           HB       ILE  30  -3.479  -6.799   3.326
  236   1HG1  ILE  30          2HG1      ILE  30  -5.283  -5.726   1.148
  237   2HG1  ILE  30          1HG1      ILE  30  -5.511  -5.436   2.869
  238   1HG2  ILE  30          1HG2      ILE  30  -2.388  -6.427   1.143
  239   2HG2  ILE  30          2HG2      ILE  30  -3.600  -7.461   0.387
  240   3HG2  ILE  30          3HG2      ILE  30  -2.485  -8.135   1.576
  241   1HD1  ILE  30          1HD1      ILE  30  -3.158  -4.552   1.212
  242   2HD1  ILE  30          2HD1      ILE  30  -3.353  -4.286   2.945
  243   3HD1  ILE  30          3HD1      ILE  30  -4.469  -3.532   1.806
  244    H    TYR  31           H        TYR  31  -4.226  -8.805   4.890
  245    HA   TYR  31           HA       TYR  31  -2.257 -10.659   4.026
  246   1HB   TYR  31          2HB       TYR  31  -3.387 -10.041   6.748
  247   2HB   TYR  31          1HB       TYR  31  -2.060 -11.164   6.482
  248    HD1  TYR  31           1HD      TYR  31  -0.692  -9.595   4.257
  249    HD2  TYR  31           2HD      TYR  31  -2.241  -8.406   8.035
  250    HE1  TYR  31           1HE      TYR  31   0.896  -7.727   4.309
  251    HE2  TYR  31           2HE      TYR  31  -0.655  -6.530   8.099
  252    HH   TYR  31           HH       TYR  31   1.131  -5.548   5.370
  253    H    ASN  32           H        ASN  32  -5.589 -11.017   4.382
  254    HA   ASN  32           HA       ASN  32  -5.447 -13.871   4.925
  255   1HB   ASN  32          2HB       ASN  32  -7.722 -11.964   4.443
  256   2HB   ASN  32          1HB       ASN  32  -7.980 -13.702   4.369
  257   1HD2  ASN  32          1HD2      ASN  32  -5.685 -12.200   6.521
  258   2HD2  ASN  32          2HD2      ASN  32  -6.535 -12.545   7.987
  259    H    GLU  33           H        GLU  33  -5.447 -11.746   2.248
  260    HA   GLU  33           HA       GLU  33  -6.081 -13.935   0.392
  261   1HB   GLU  33          2HB       GLU  33  -5.800 -10.991  -0.229
  262   2HB   GLU  33          1HB       GLU  33  -6.437 -12.235  -1.291
  263   1HG   GLU  33          2HG       GLU  33  -7.694 -11.201   1.236
  264   2HG   GLU  33          1HG       GLU  33  -8.235 -10.907  -0.413
  265    H    ILE  34           H        ILE  34  -3.577 -11.896   1.561
  266    HA   ILE  34           HA       ILE  34  -1.779 -12.772  -0.594
  267    HB   ILE  34           HB       ILE  34  -1.809 -10.223   1.011
  268   1HG1  ILE  34          2HG1      ILE  34  -3.283 -10.321  -0.945
  269   2HG1  ILE  34          1HG1      ILE  34  -1.969  -9.179  -1.198
  270   1HG2  ILE  34          1HG2      ILE  34   0.345 -11.170  -0.867
  271   2HG2  ILE  34          2HG2      ILE  34   0.497 -10.994   0.880
  272   3HG2  ILE  34          3HG2      ILE  34   0.246  -9.572  -0.133
  273   1HD1  ILE  34          1HD1      ILE  34  -2.198 -11.955  -2.329
  274   2HD1  ILE  34          2HD1      ILE  34  -0.778 -10.924  -2.494
  275   3HD1  ILE  34          3HD1      ILE  34  -2.315 -10.430  -3.207
  276    H    SER  35           H        SER  35   0.123 -13.666  -0.099
  277    HA   SER  35           HA       SER  35   0.630 -14.221   2.734
  278   1HB   SER  35          2HB       SER  35   1.325 -15.907   0.325
  279   2HB   SER  35          1HB       SER  35   1.584 -16.345   2.014
  280    HG   SER  35           HG       SER  35  -0.662 -16.306   2.318
  281    H    LYS  36           H        LYS  36   3.096 -15.301   2.567
  282    HA   LYS  36           HA       LYS  36   4.759 -13.100   2.828
  283   1HB   LYS  36          2HB       LYS  36   5.654 -15.906   2.170
  284   2HB   LYS  36          1HB       LYS  36   6.566 -14.681   3.032
  285   1HG   LYS  36          2HG       LYS  36   3.969 -15.685   4.124
  286   2HG   LYS  36          1HG       LYS  36   5.460 -16.600   4.351
  287   1HD   LYS  36          2HD       LYS  36   6.468 -14.503   5.307
  288   2HD   LYS  36          1HD       LYS  36   4.847 -13.802   5.274
  289   1HE   LYS  36          2HE       LYS  36   5.363 -14.719   7.478
  290   2HE   LYS  36          1HE       LYS  36   4.032 -15.588   6.717
  291   1HZ   LYS  36          1HZ       LYS  36   5.611 -17.320   6.068
  292   2HZ   LYS  36          2HZ       LYS  36   5.566 -17.122   7.747
  293   3HZ   LYS  36          3HZ       LYS  36   6.858 -16.493   6.857
  294    H    ASP  37           H        ASP  37   4.572 -15.434   0.173
  295    HA   ASP  37           HA       ASP  37   6.753 -14.550  -1.309
  296   1HB   ASP  37          2HB       ASP  37   5.457 -16.697  -1.612
  297   2HB   ASP  37          1HB       ASP  37   4.227 -15.760  -2.451
  298    H    ALA  38           H        ALA  38   3.321 -13.759  -1.757
  299    HA   ALA  38           HA       ALA  38   3.790 -12.015  -3.941
  300   1HB   ALA  38          1HB       ALA  38   1.372 -12.238  -2.157
  301   2HB   ALA  38          2HB       ALA  38   1.659 -13.155  -3.634
  302   3HB   ALA  38          3HB       ALA  38   1.436 -11.406  -3.710
  303    H    TRP  39           H        TRP  39   3.287 -11.478  -0.470
  304    HA   TRP  39           HA       TRP  39   3.058  -8.659  -0.659
  305   1HB   TRP  39          2HB       TRP  39   2.214  -9.917   1.271
  306   2HB   TRP  39          1HB       TRP  39   3.857 -10.375   1.705
  307    HD1  TRP  39           HD       TRP  39   5.211  -8.698   3.173
  308    HE1  TRP  39           1HE      TRP  39   4.705  -6.394   4.197
  309    HE3  TRP  39           3HE      TRP  39   0.829  -7.667   0.744
  310    HZ2  TRP  39           2HZ      TRP  39   2.716  -4.402   4.001
  311    HZ3  TRP  39           3HZ      TRP  39  -0.310  -5.540   1.219
  312    HH2  TRP  39           HH       TRP  39   0.615  -3.942   2.817
  313    H    ALA  40           H        ALA  40   5.769 -10.774   0.237
  314    HA   ALA  40           HA       ALA  40   7.578  -8.718   0.842
  315   1HB   ALA  40          1HB       ALA  40   7.895 -11.052   1.531
  316   2HB   ALA  40          2HB       ALA  40   9.314 -10.404   0.707
  317   3HB   ALA  40          3HB       ALA  40   8.219 -11.491  -0.146
  318    H    GLN  41           H        GLN  41   6.959 -10.439  -2.193
  319    HA   GLN  41           HA       GLN  41   9.125  -9.236  -3.578
  320   1HB   GLN  41          2HB       GLN  41   6.665 -10.674  -4.545
  321   2HB   GLN  41          1HB       GLN  41   7.899 -10.055  -5.636
  322   1HG   GLN  41          2HG       GLN  41   9.573 -11.444  -4.467
  323   2HG   GLN  41          1HG       GLN  41   8.282 -12.114  -3.472
  324   1HE2  GLN  41          1HE2      GLN  41   6.369 -12.131  -5.659
  325   2HE2  GLN  41          2HE2      GLN  41   6.825 -13.440  -6.689
  326    H    TRP  42           H        TRP  42   5.641  -8.477  -3.430
  327    HA   TRP  42           HA       TRP  42   5.721  -6.416  -5.336
  328   1HB   TRP  42          2HB       TRP  42   3.581  -7.263  -4.744
  329   2HB   TRP  42          1HB       TRP  42   3.838  -6.921  -3.033
  330    HD1  TRP  42           HD       TRP  42   2.337  -4.969  -2.335
  331    HE1  TRP  42           1HE      TRP  42   1.677  -2.700  -3.341
  332    HE3  TRP  42           3HE      TRP  42   4.717  -5.343  -6.848
  333    HZ2  TRP  42           2HZ      TRP  42   2.095  -1.262  -5.720
  334    HZ3  TRP  42           3HZ      TRP  42   4.533  -3.472  -8.433
  335    HH2  TRP  42           HH       TRP  42   3.247  -1.475  -7.880
  336    H    GLN  43           H        GLN  43   5.949  -6.245  -1.779
  337    HA   GLN  43           HA       GLN  43   6.194  -3.443  -1.677
  338   1HB   GLN  43          2HB       GLN  43   7.086  -5.569   0.269
  339   2HB   GLN  43          1HB       GLN  43   7.150  -3.846   0.612
  340   1HG   GLN  43          2HG       GLN  43   4.664  -5.421  -0.028
  341   2HG   GLN  43          1HG       GLN  43   5.171  -4.893   1.575
  342   1HE2  GLN  43          1HE2      GLN  43   5.020  -2.712   2.119
  343   2HE2  GLN  43          2HE2      GLN  43   4.065  -1.602   1.204
  344    H    HIS  44           H        HIS  44   8.616  -6.002  -1.921
  345    HA   HIS  44           HA       HIS  44  10.888  -4.338  -1.725
  346   1HB   HIS  44          2HB       HIS  44  11.133  -6.728  -1.497
  347   2HB   HIS  44          1HB       HIS  44  10.475  -6.997  -3.105
  348    HD1  HIS  44           1HD      HIS  44  13.566  -5.597  -1.417
  349    HD2  HIS  44           2HD      HIS  44  12.321  -7.009  -5.125
  350    HE1  HIS  44           1HE      HIS  44  15.644  -5.732  -2.824
  351    HE2  HIS  44           2HE      HIS  44  14.890  -6.772  -4.993
  352    H    LYS  45           H        LYS  45   8.895  -5.356  -4.458
  353    HA   LYS  45           HA       LYS  45  10.480  -4.191  -6.479
  354   1HB   LYS  45          2HB       LYS  45   8.723  -5.875  -6.906
  355   2HB   LYS  45          1HB       LYS  45   7.499  -4.696  -6.458
  356   1HG   LYS  45          2HG       LYS  45   7.682  -4.922  -8.872
  357   2HG   LYS  45          1HG       LYS  45   8.128  -3.297  -8.344
  358   1HD   LYS  45          2HD       LYS  45  10.485  -3.863  -8.522
  359   2HD   LYS  45          1HD       LYS  45  10.070  -5.515  -8.973
  360   1HE   LYS  45          2HE       LYS  45   9.422  -3.020 -10.538
  361   2HE   LYS  45          1HE       LYS  45  10.674  -4.196 -10.930
  362   1HZ   LYS  45          1HZ       LYS  45   8.879  -5.878 -11.115
  363   2HZ   LYS  45          2HZ       LYS  45   8.787  -4.650 -12.270
  364   3HZ   LYS  45          3HZ       LYS  45   7.741  -4.637 -10.946
  365    H    GLN  46           H        GLN  46   7.668  -2.988  -4.679
  366    HA   GLN  46           HA       GLN  46   7.483  -0.508  -5.978
  367   1HB   GLN  46          2HB       GLN  46   5.690  -1.381  -4.565
  368   2HB   GLN  46          1HB       GLN  46   6.718  -1.245  -3.145
  369   1HG   GLN  46          2HG       GLN  46   5.121   0.573  -3.228
  370   2HG   GLN  46          1HG       GLN  46   6.765   1.181  -3.399
  371   1HE2  GLN  46          1HE2      GLN  46   5.007  -0.389  -5.981
  372   2HE2  GLN  46          2HE2      GLN  46   4.829   1.015  -6.971
  373    H    THR  47           H        THR  47   9.311  -1.510  -3.111
  374    HA   THR  47           HA       THR  47  10.333   0.983  -2.367
  375    HB   THR  47           HB       THR  47  11.748  -1.685  -2.119
  376    HG1  THR  47           1HG      THR  47   9.637  -1.703  -1.168
  377   1HG2  THR  47          1HG2      THR  47  12.834  -0.651  -0.172
  378   2HG2  THR  47          2HG2      THR  47  12.016   0.871  -0.528
  379   3HG2  THR  47          3HG2      THR  47  13.204   0.223  -1.660
  380    H    MET  48           H        MET  48  11.446  -1.331  -4.783
  381    HA   MET  48           HA       MET  48  13.906  -0.098  -5.370
  382   1HB   MET  48          2HB       MET  48  13.253  -2.403  -6.067
  383   2HB   MET  48          1HB       MET  48  12.156  -1.697  -7.247
  384   1HG   MET  48          2HG       MET  48  14.204  -2.381  -8.318
  385   2HG   MET  48          1HG       MET  48  14.061  -0.623  -8.357
  386   1HE   MET  48          1HE       MET  48  16.801  -2.171  -8.935
  387   2HE   MET  48          2HE       MET  48  17.919  -1.133  -8.051
  388   3HE   MET  48          3HE       MET  48  16.604  -0.420  -8.985
  389    H    LEU  49           H        LEU  49  10.653   0.346  -6.691
  390    HA   LEU  49           HA       LEU  49  11.422   2.240  -8.669
  391   1HB   LEU  49          2HB       LEU  49   8.833   1.351  -7.495
  392   2HB   LEU  49          1HB       LEU  49   8.865   2.871  -8.366
  393    HG   LEU  49           HG       LEU  49   9.721   1.699 -10.361
  394   1HD1  LEU  49          1HD1      LEU  49   9.280  -0.814  -8.758
  395   2HD1  LEU  49          2HD1      LEU  49  10.848  -0.156  -9.227
  396   3HD1  LEU  49          3HD1      LEU  49   9.724  -0.724 -10.463
  397   1HD2  LEU  49          1HD2      LEU  49   7.334   2.069 -10.095
  398   2HD2  LEU  49          2HD2      LEU  49   7.183   0.548  -9.216
  399   3HD2  LEU  49          3HD2      LEU  49   7.641   0.542 -10.919
  400    H    ILE  50           H        ILE  50  10.492   2.458  -5.307
  401    HA   ILE  50           HA       ILE  50  10.272   5.268  -5.157
  402    HB   ILE  50           HB       ILE  50  11.117   3.307  -3.014
  403   1HG1  ILE  50          2HG1      ILE  50   8.424   4.555  -3.605
  404   2HG1  ILE  50          1HG1      ILE  50   8.869   2.888  -3.947
  405   1HG2  ILE  50          1HG2      ILE  50  10.481   5.066  -1.421
  406   2HG2  ILE  50          2HG2      ILE  50  10.195   6.170  -2.766
  407   3HG2  ILE  50          3HG2      ILE  50  11.823   5.567  -2.452
  408   1HD1  ILE  50          1HD1      ILE  50   8.667   4.160  -1.226
  409   2HD1  ILE  50          2HD1      ILE  50   9.173   2.501  -1.539
  410   3HD1  ILE  50          3HD1      ILE  50   7.533   3.013  -1.938
  411    H    ASN  51           H        ASN  51  13.009   3.058  -4.924
  412    HA   ASN  51           HA       ASN  51  14.935   5.052  -4.228
  413   1HB   ASN  51          2HB       ASN  51  15.321   2.332  -5.511
  414   2HB   ASN  51          1HB       ASN  51  16.616   3.337  -4.879
  415   1HD2  ASN  51          1HD2      ASN  51  15.016   4.206  -2.580
  416   2HD2  ASN  51          2HD2      ASN  51  14.972   2.856  -1.503
  417    H    GLU  52           H        GLU  52  13.672   3.746  -7.194
  418    HA   GLU  52           HA       GLU  52  15.623   4.821  -8.955
  419   1HB   GLU  52          2HB       GLU  52  14.162   2.907  -9.504
  420   2HB   GLU  52          1HB       GLU  52  12.768   3.973  -9.489
  421   1HG   GLU  52          2HG       GLU  52  13.814   5.257 -11.341
  422   2HG   GLU  52          1HG       GLU  52  15.082   4.033 -11.407
  423    H    LYS  53           H        LYS  53  12.271   5.803  -8.232
  424    HA   LYS  53           HA       LYS  53  12.646   8.193  -9.844
  425   1HB   LYS  53          2HB       LYS  53  10.168   7.174  -8.446
  426   2HB   LYS  53          1HB       LYS  53  10.233   8.497  -9.605
  427   1HG   LYS  53          2HG       LYS  53  11.122   6.859 -11.280
  428   2HG   LYS  53          1HG       LYS  53  10.774   5.584 -10.112
  429   1HD   LYS  53          2HD       LYS  53   8.717   7.523 -11.174
  430   2HD   LYS  53          1HD       LYS  53   9.006   5.924 -11.852
  431   1HE   LYS  53          2HE       LYS  53   8.432   4.918  -9.685
  432   2HE   LYS  53          1HE       LYS  53   8.117   6.526  -9.033
  433   1HZ   LYS  53          1HZ       LYS  53   6.073   5.426  -9.728
  434   2HZ   LYS  53          2HZ       LYS  53   6.664   5.274 -11.303
  435   3HZ   LYS  53          3HZ       LYS  53   6.356   6.806 -10.662
  436    H    LYS  54           H        LYS  54  12.882   7.328  -6.598
  437    HA   LYS  54           HA       LYS  54  13.214   8.472  -4.675
  438   1HB   LYS  54          2HB       LYS  54  13.826  10.772  -6.540
  439   2HB   LYS  54          1HB       LYS  54  14.255  10.692  -4.837
  440   1HG   LYS  54          2HG       LYS  54  15.725   8.815  -5.263
  441   2HG   LYS  54          1HG       LYS  54  15.251   8.805  -6.963
  442   1HD   LYS  54          2HD       LYS  54  16.151  11.100  -7.183
  443   2HD   LYS  54          1HD       LYS  54  16.699  11.019  -5.509
  444   1HE   LYS  54          2HE       LYS  54  18.144   9.138  -6.056
  445   2HE   LYS  54          1HE       LYS  54  17.568   9.161  -7.721
  446   1HZ   LYS  54          1HZ       LYS  54  19.089  11.327  -6.372
  447   2HZ   LYS  54          2HZ       LYS  54  18.505  11.391  -7.954
  448   3HZ   LYS  54          3HZ       LYS  54  19.695  10.263  -7.539
  449    H    LEU  55           H        LEU  55  10.866   8.218  -4.343
  450    HA   LEU  55           HA       LEU  55   9.518  10.833  -4.342
  451   1HB   LEU  55          2HB       LEU  55   7.388   9.629  -4.718
  452   2HB   LEU  55          1HB       LEU  55   8.508   9.515  -6.059
  453    HG   LEU  55           HG       LEU  55   9.156   7.226  -4.929
  454   1HD1  LEU  55          1HD1      LEU  55   7.198   6.136  -3.917
  455   2HD1  LEU  55          2HD1      LEU  55   6.358   7.685  -3.914
  456   3HD1  LEU  55          3HD1      LEU  55   7.811   7.469  -2.938
  457   1HD2  LEU  55          1HD2      LEU  55   8.220   7.495  -7.165
  458   2HD2  LEU  55          2HD2      LEU  55   6.601   7.615  -6.475
  459   3HD2  LEU  55          3HD2      LEU  55   7.512   6.112  -6.333
  460    H    ASN  56           H        ASN  56   7.987  11.211  -2.660
  461    HA   ASN  56           HA       ASN  56   8.419   9.511  -0.296
  462   1HB   ASN  56          2HB       ASN  56   7.929  12.474  -0.524
  463   2HB   ASN  56          1HB       ASN  56   7.694  11.608   0.988
  464   1HD2  ASN  56          1HD2      ASN  56   9.904   9.782   0.559
  465   2HD2  ASN  56          2HD2      ASN  56  11.349  10.701   0.795
  466    H    MET  57           H        MET  57   6.693   8.861   0.921
  467    HA   MET  57           HA       MET  57   4.144   8.860  -0.463
  468   1HB   MET  57          2HB       MET  57   5.036   7.469   2.070
  469   2HB   MET  57          1HB       MET  57   3.455   7.269   1.325
  470   1HG   MET  57          2HG       MET  57   6.111   6.529   0.117
  471   2HG   MET  57          1HG       MET  57   4.894   5.423   0.752
  472   1HE   MET  57          1HE       MET  57   6.142   5.088  -2.149
  473   2HE   MET  57          2HE       MET  57   4.691   4.720  -3.081
  474   3HE   MET  57          3HE       MET  57   4.906   4.023  -1.475
  475    H    MET  58           H        MET  58   5.527  11.060   1.377
  476    HA   MET  58           HA       MET  58   3.445  11.595   3.286
  477   1HB   MET  58          2HB       MET  58   5.772  13.280   2.347
  478   2HB   MET  58          1HB       MET  58   4.669  13.745   3.635
  479   1HG   MET  58          2HG       MET  58   5.351  11.749   4.902
  480   2HG   MET  58          1HG       MET  58   6.503  11.361   3.626
  481   1HE   MET  58          1HE       MET  58   8.595  12.891   3.009
  482   2HE   MET  58          2HE       MET  58   8.982  14.395   3.843
  483   3HE   MET  58          3HE       MET  58   7.546  14.298   2.825
  484    H    ASN  59           H        ASN  59   3.779  12.061  -0.015
  485    HA   ASN  59           HA       ASN  59   1.858  14.284  -0.025
  486   1HB   ASN  59          2HB       ASN  59   3.473  13.155  -2.323
  487   2HB   ASN  59          1HB       ASN  59   2.388  14.534  -2.411
  488   1HD2  ASN  59          1HD2      ASN  59   5.086  14.545  -3.160
  489   2HD2  ASN  59          2HD2      ASN  59   5.936  15.630  -2.108
  490    H    ALA  60           H        ALA  60  -0.095  14.084  -1.112
  491    HA   ALA  60           HA       ALA  60  -1.339  11.570  -1.019
  492   1HB   ALA  60          1HB       ALA  60  -3.239  12.656  -2.043
  493   2HB   ALA  60          2HB       ALA  60  -2.229  14.008  -2.550
  494   3HB   ALA  60          3HB       ALA  60  -2.524  13.721  -0.835
  495    H    GLU  61           H        GLU  61   0.376  13.211  -3.544
  496    HA   GLU  61           HA       GLU  61  -0.362  12.029  -5.887
  497   1HB   GLU  61          2HB       GLU  61   2.553  12.102  -5.181
  498   2HB   GLU  61          1HB       GLU  61   1.784  12.467  -6.715
  499   1HG   GLU  61          2HG       GLU  61   1.078  14.592  -5.959
  500   2HG   GLU  61          1HG       GLU  61   1.486  14.206  -4.287
  501    H    HIS  62           H        HIS  62   1.947  10.723  -3.543
  502    HA   HIS  62           HA       HIS  62   2.123   8.282  -5.122
  503   1HB   HIS  62          2HB       HIS  62   3.798   9.059  -2.734
  504   2HB   HIS  62          1HB       HIS  62   4.152   7.814  -3.930
  505    HD1  HIS  62           1HD      HIS  62   4.678   8.773  -6.440
  506    HD2  HIS  62           2HD      HIS  62   4.753  11.531  -3.326
  507    HE1  HIS  62           1HE      HIS  62   5.828  10.809  -7.362
  508    HE2  HIS  62           2HE      HIS  62   5.656  12.530  -5.528
  509    H    ARG  63           H        ARG  63   0.743   9.468  -2.204
  510    HA   ARG  63           HA       ARG  63   0.438   7.032  -0.821
  511   1HB   ARG  63          2HB       ARG  63  -0.024   9.320   0.122
  512   2HB   ARG  63          1HB       ARG  63  -1.488   9.372  -0.843
  513   1HG   ARG  63          2HG       ARG  63  -1.004   7.191   1.166
  514   2HG   ARG  63          1HG       ARG  63  -1.703   8.744   1.620
  515   1HD   ARG  63          2HD       ARG  63  -3.552   8.410   0.117
  516   2HD   ARG  63          1HD       ARG  63  -2.823   6.936  -0.515
  517    HE   ARG  63           HE       ARG  63  -3.781   7.204   2.267
  518   1HH1  ARG  63          1HH1      ARG  63  -3.318   5.331  -0.644
  519   2HH1  ARG  63          2HH1      ARG  63  -4.284   3.986  -0.097
  520   1HH2  ARG  63          1HH2      ARG  63  -5.019   5.410   3.007
  521   2HH2  ARG  63          2HH2      ARG  63  -5.221   4.032   1.971
  522    H    LYS  64           H        LYS  64  -1.583   8.667  -3.261
  523    HA   LYS  64           HA       LYS  64  -3.444   6.496  -3.391
  524   1HB   LYS  64          2HB       LYS  64  -4.381   7.624  -5.338
  525   2HB   LYS  64          1HB       LYS  64  -4.133   8.760  -4.022
  526   1HG   LYS  64          2HG       LYS  64  -2.177   9.648  -5.088
  527   2HG   LYS  64          1HG       LYS  64  -2.256   8.415  -6.347
  528   1HD   LYS  64          2HD       LYS  64  -4.401   9.321  -7.101
  529   2HD   LYS  64          1HD       LYS  64  -4.325  10.551  -5.837
  530   1HE   LYS  64          2HE       LYS  64  -3.607  11.357  -8.078
  531   2HE   LYS  64          1HE       LYS  64  -2.377  11.535  -6.827
  532   1HZ   LYS  64          1HZ       LYS  64  -1.264   9.584  -7.648
  533   2HZ   LYS  64          2HZ       LYS  64  -1.487  10.663  -8.929
  534   3HZ   LYS  64          3HZ       LYS  64  -2.483   9.303  -8.786
  535    H    LEU  65           H        LEU  65  -0.473   7.350  -5.054
  536    HA   LEU  65           HA       LEU  65  -0.524   5.539  -7.169
  537   1HB   LEU  65          2HB       LEU  65   1.272   7.135  -6.929
  538   2HB   LEU  65          1HB       LEU  65   1.778   6.400  -5.420
  539    HG   LEU  65           HG       LEU  65   2.322   4.315  -6.723
  540   1HD1  LEU  65          1HD1      LEU  65   2.670   4.570  -9.140
  541   2HD1  LEU  65          2HD1      LEU  65   1.911   6.161  -9.069
  542   3HD1  LEU  65          3HD1      LEU  65   0.972   4.719  -8.688
  543   1HD2  LEU  65          1HD2      LEU  65   3.797   6.855  -7.384
  544   2HD2  LEU  65          2HD2      LEU  65   4.436   5.227  -7.598
  545   3HD2  LEU  65          3HD2      LEU  65   4.055   5.821  -5.981
  546    H    LEU  66           H        LEU  66   0.868   5.006  -3.924
  547    HA   LEU  66           HA       LEU  66   1.314   2.258  -4.261
  548   1HB   LEU  66          2HB       LEU  66   2.336   3.667  -2.484
  549   2HB   LEU  66          1HB       LEU  66   0.776   3.750  -1.688
  550    HG   LEU  66           HG       LEU  66   1.931   1.046  -2.205
  551   1HD1  LEU  66          1HD1      LEU  66   3.846   2.226  -1.326
  552   2HD1  LEU  66          2HD1      LEU  66   3.180   1.175  -0.076
  553   3HD1  LEU  66          3HD1      LEU  66   2.870   2.912  -0.025
  554   1HD2  LEU  66          1HD2      LEU  66   0.843   0.549  -0.075
  555   2HD2  LEU  66          2HD2      LEU  66  -0.293   1.283  -1.207
  556   3HD2  LEU  66          3HD2      LEU  66   0.393   2.246   0.103
  557    H    GLU  67           H        GLU  67  -1.448   4.048  -2.980
  558    HA   GLU  67           HA       GLU  67  -3.117   2.030  -2.143
  559   1HB   GLU  67          2HB       GLU  67  -3.693   4.398  -1.992
  560   2HB   GLU  67          1HB       GLU  67  -3.817   4.500  -3.740
  561   1HG   GLU  67          2HG       GLU  67  -5.996   4.419  -2.598
  562   2HG   GLU  67          1HG       GLU  67  -5.758   3.102  -3.748
  563    H    GLN  68           H        GLN  68  -3.028   3.408  -5.406
  564    HA   GLN  68           HA       GLN  68  -4.771   1.609  -6.620
  565   1HB   GLN  68          2HB       GLN  68  -2.466   3.183  -7.778
  566   2HB   GLN  68          1HB       GLN  68  -3.656   2.330  -8.748
  567   1HG   GLN  68          2HG       GLN  68  -5.423   3.737  -7.843
  568   2HG   GLN  68          1HG       GLN  68  -4.247   4.574  -6.832
  569   1HE2  GLN  68          1HE2      GLN  68  -5.462   4.135 -10.053
  570   2HE2  GLN  68          2HE2      GLN  68  -4.672   5.500 -10.754
  571    H    GLU  69           H        GLU  69  -1.213   1.616  -6.761
  572    HA   GLU  69           HA       GLU  69  -1.019  -0.703  -8.314
  573   1HB   GLU  69          2HB       GLU  69   0.945   0.731  -6.547
  574   2HB   GLU  69          1HB       GLU  69   1.388  -0.682  -7.497
  575   1HG   GLU  69          2HG       GLU  69   0.138   1.745  -8.737
  576   2HG   GLU  69          1HG       GLU  69   1.880   1.591  -8.503
  577    H    MET  70           H        MET  70  -0.815  -0.312  -4.783
  578    HA   MET  70           HA       MET  70   0.106  -2.903  -4.214
  579   1HB   MET  70          2HB       MET  70   0.179  -1.103  -2.560
  580   2HB   MET  70          1HB       MET  70  -1.577  -1.072  -2.497
  581   1HG   MET  70          2HG       MET  70  -1.577  -3.359  -1.616
  582   2HG   MET  70          1HG       MET  70   0.186  -3.362  -1.655
  583   1HE   MET  70          1HE       MET  70  -2.347  -0.650   1.100
  584   2HE   MET  70          2HE       MET  70  -3.028  -1.824  -0.026
  585   3HE   MET  70          3HE       MET  70  -2.226  -0.377  -0.638
  586    H    VAL  71           H        VAL  71  -3.228  -1.634  -3.934
  587    HA   VAL  71           HA       VAL  71  -4.294  -4.207  -3.377
  588    HB   VAL  71           HB       VAL  71  -5.749  -1.732  -4.327
  589   1HG1  VAL  71          1HG1      VAL  71  -6.814  -4.193  -2.954
  590   2HG1  VAL  71          2HG1      VAL  71  -7.079  -3.756  -4.641
  591   3HG1  VAL  71          3HG1      VAL  71  -7.742  -2.747  -3.354
  592   1HG2  VAL  71          1HG2      VAL  71  -6.247  -1.356  -1.970
  593   2HG2  VAL  71          2HG2      VAL  71  -4.508  -1.349  -2.262
  594   3HG2  VAL  71          3HG2      VAL  71  -5.274  -2.761  -1.535
  595    H    SER  72           H        SER  72  -3.513  -2.572  -6.330
  596    HA   SER  72           HA       SER  72  -5.200  -4.167  -8.007
  597   1HB   SER  72          2HB       SER  72  -4.285  -1.924  -8.658
  598   2HB   SER  72          1HB       SER  72  -2.695  -2.671  -8.800
  599    HG   SER  72           HG       SER  72  -4.038  -4.218 -10.266
  600    H    PHE  73           H        PHE  73  -1.682  -4.187  -7.347
  601    HA   PHE  73           HA       PHE  73  -1.159  -6.464  -8.927
  602   1HB   PHE  73          2HB       PHE  73   0.558  -4.808  -8.205
  603   2HB   PHE  73          1HB       PHE  73   0.431  -5.433  -6.566
  604    HD1  PHE  73           1HD      PHE  73   1.436  -6.271 -10.013
  605    HD2  PHE  73           2HD      PHE  73   1.579  -7.385  -5.911
  606    HE1  PHE  73           1HE      PHE  73   3.156  -7.948 -10.534
  607    HE2  PHE  73           2HE      PHE  73   3.301  -9.067  -6.422
  608    HZ   PHE  73           HZ       PHE  73   4.094  -9.348  -8.736
  609    H    LEU  74           H        LEU  74  -2.318  -6.096  -5.687
  610    HA   LEU  74           HA       LEU  74  -1.676  -8.853  -5.015
  611   1HB   LEU  74          2HB       LEU  74  -2.825  -6.613  -3.365
  612   2HB   LEU  74          1HB       LEU  74  -2.472  -8.217  -2.756
  613    HG   LEU  74           HG       LEU  74  -0.442  -6.251  -3.839
  614   1HD1  LEU  74          1HD1      LEU  74  -1.301  -5.593  -1.667
  615   2HD1  LEU  74          2HD1      LEU  74   0.360  -6.172  -1.525
  616   3HD1  LEU  74          3HD1      LEU  74  -0.982  -7.205  -1.032
  617   1HD2  LEU  74          1HD2      LEU  74   1.227  -7.860  -3.029
  618   2HD2  LEU  74          2HD2      LEU  74   0.234  -8.526  -4.323
  619   3HD2  LEU  74          3HD2      LEU  74  -0.066  -8.997  -2.650
  620    H    PHE  75           H        PHE  75  -4.483  -6.909  -5.834
  621    HA   PHE  75           HA       PHE  75  -6.185  -9.256  -5.269
  622   1HB   PHE  75          2HB       PHE  75  -6.905  -6.320  -5.253
  623   2HB   PHE  75          1HB       PHE  75  -8.098  -7.612  -5.215
  624    HD1  PHE  75           1HD      PHE  75  -8.638  -8.716  -3.221
  625    HD2  PHE  75           2HD      PHE  75  -5.288  -6.098  -3.353
  626    HE1  PHE  75           1HE      PHE  75  -8.485  -8.794  -0.769
  627    HE2  PHE  75           2HE      PHE  75  -5.129  -6.172  -0.899
  628    HZ   PHE  75           HZ       PHE  75  -6.735  -7.521   0.393
  629    H    GLU  76           H        GLU  76  -5.607  -6.618  -7.529
  630    HA   GLU  76           HA       GLU  76  -6.095  -6.277  -9.696
  631   1HB   GLU  76          2HB       GLU  76  -6.112  -9.255  -9.559
  632   2HB   GLU  76          1HB       GLU  76  -6.725  -8.481 -11.016
  633   1HG   GLU  76          2HG       GLU  76  -4.008  -7.970  -9.825
  634   2HG   GLU  76          1HG       GLU  76  -4.335  -9.093 -11.146
  635    H    GLY  77           H        GLY  77  -7.843  -5.027  -9.704
  636   1HA   GLY  77          2HA       GLY  77 -10.059  -5.170 -10.903
  637   2HA   GLY  77          1HA       GLY  77 -10.469  -6.373  -9.690
  638    H    LYS  78           H        LYS  78  -8.854  -3.207  -9.427
  639    HA   LYS  78           HA       LYS  78 -10.453  -2.546  -7.125
  640   1HB   LYS  78          2HB       LYS  78  -8.509  -0.836  -8.687
  641   2HB   LYS  78          1HB       LYS  78  -9.248  -0.396  -7.157
  642   1HG   LYS  78          2HG       LYS  78  -8.152  -2.474  -6.211
  643   2HG   LYS  78          1HG       LYS  78  -7.200  -2.510  -7.698
  644   1HD   LYS  78          2HD       LYS  78  -5.891  -1.321  -6.120
  645   2HD   LYS  78          1HD       LYS  78  -6.576  -0.105  -7.196
  646   1HE   LYS  78          2HE       LYS  78  -8.278   0.448  -5.586
  647   2HE   LYS  78          1HE       LYS  78  -7.767  -0.865  -4.528
  648   1HZ   LYS  78          1HZ       LYS  78  -6.368   1.670  -5.111
  649   2HZ   LYS  78          2HZ       LYS  78  -5.544   0.344  -4.470
  650   3HZ   LYS  78          3HZ       LYS  78  -6.821   1.040  -3.600
  651    H    ASP  79           H        ASP  79 -11.518  -0.366  -7.004
  652    HA   ASP  79           HA       ASP  79 -13.166   0.082  -9.361
  653   1HB   ASP  79          2HB       ASP  79 -13.273   1.292  -6.587
  654   2HB   ASP  79          1HB       ASP  79 -14.400   1.678  -7.886
  655    H    VAL  80           H        VAL  80 -10.529   1.460  -7.619
  656    HA   VAL  80           HA       VAL  80 -10.489   3.930  -9.106
  657    HB   VAL  80           HB       VAL  80  -8.271   2.670  -7.467
  658   1HG1  VAL  80          1HG1      VAL  80  -8.674   5.518  -8.384
  659   2HG1  VAL  80          2HG1      VAL  80  -7.494   4.379  -9.032
  660   3HG1  VAL  80          3HG1      VAL  80  -7.357   4.935  -7.364
  661   1HG2  VAL  80          1HG2      VAL  80  -8.994   4.194  -5.669
  662   2HG2  VAL  80          2HG2      VAL  80 -10.231   3.008  -6.081
  663   3HG2  VAL  80          3HG2      VAL  80 -10.380   4.670  -6.650
  664    H    HIS  81           H        HIS  81  -9.825   4.066 -11.152
  665    HA   HIS  81           HA       HIS  81  -8.788   1.702 -12.439
  666   1HB   HIS  81          2HB       HIS  81  -9.467   4.423 -13.575
  667   2HB   HIS  81          1HB       HIS  81  -9.065   2.996 -14.525
  668    HD1  HIS  81           1HD      HIS  81 -11.878   4.742 -13.015
  669    HD2  HIS  81           2HD      HIS  81 -11.033   0.854 -14.210
  670    HE1  HIS  81           1HE      HIS  81 -14.101   3.580 -13.152
  671    HE2  HIS  81           2HE      HIS  81 -13.575   1.306 -14.092
  672    H    ILE  82           H        ILE  82  -6.749   1.298 -12.966
  673    HA   ILE  82           HA       ILE  82  -4.776   3.438 -12.621
  674    HB   ILE  82           HB       ILE  82  -4.236   0.486 -12.976
  675   1HG1  ILE  82          2HG1      ILE  82  -4.458   2.150 -10.465
  676   2HG1  ILE  82          1HG1      ILE  82  -5.527   0.839 -10.949
  677   1HG2  ILE  82          1HG2      ILE  82  -2.370   1.945 -13.570
  678   2HG2  ILE  82          2HG2      ILE  82  -2.022   1.049 -12.090
  679   3HG2  ILE  82          3HG2      ILE  82  -2.489   2.748 -12.004
  680   1HD1  ILE  82          1HD1      ILE  82  -3.708  -0.748 -10.716
  681   2HD1  ILE  82          2HD1      ILE  82  -3.973   0.142  -9.217
  682   3HD1  ILE  82          3HD1      ILE  82  -2.614   0.558 -10.261
  683    H    GLU  83           H        GLU  83  -5.145   4.511 -14.526
  684    HA   GLU  83           HA       GLU  83  -3.839   3.359 -16.839
  685   1HB   GLU  83          2HB       GLU  83  -5.740   4.062 -18.337
  686   2HB   GLU  83          1HB       GLU  83  -6.073   2.669 -17.321
  687   1HG   GLU  83          2HG       GLU  83  -7.263   4.179 -15.746
  688   2HG   GLU  83          1HG       GLU  83  -7.028   5.491 -16.901
  689    H    GLY  84           H        GLY  84  -5.547   6.074 -15.394
  690   1HA   GLY  84          2HA       GLY  84  -3.433   7.831 -16.442
  691   2HA   GLY  84          1HA       GLY  84  -5.124   8.327 -16.468
  692    H    TYR  85           H        TYR  85  -2.413   8.904 -14.883
  693    HA   TYR  85           HA       TYR  85  -3.394   8.669 -12.175
  694   1HB   TYR  85          2HB       TYR  85  -0.854   9.853 -13.301
  695   2HB   TYR  85          1HB       TYR  85  -1.230   9.791 -11.583
  696    HD1  TYR  85           1HD      TYR  85  -1.482   7.548 -10.475
  697    HD2  TYR  85           2HD      TYR  85   0.042   7.971 -14.426
  698    HE1  TYR  85           1HE      TYR  85  -0.513   5.293 -10.337
  699    HE2  TYR  85           2HE      TYR  85   1.013   5.715 -14.299
  700    HH   TYR  85           HH       TYR  85   0.226   3.498 -11.842
  701    H    THR  86           H        THR  86  -5.256   9.947 -12.391
  702    HA   THR  86           HA       THR  86  -5.138  12.707 -13.099
  703    HB   THR  86           HB       THR  86  -7.318  11.350 -11.511
  704    HG1  THR  86           1HG      THR  86  -8.179  10.974 -13.727
  705   1HG2  THR  86          1HG2      THR  86  -7.357  13.616 -13.513
  706   2HG2  THR  86          2HG2      THR  86  -7.526  13.774 -11.765
  707   3HG2  THR  86          3HG2      THR  86  -8.767  12.938 -12.698
  708    HA   PRO  87           HA       PRO  87  -3.833  13.854  -8.941
  709   1HB   PRO  87          2HB       PRO  87  -2.716  16.197  -9.581
  710   2HB   PRO  87          1HB       PRO  87  -1.941  14.663  -9.992
  711   1HG   PRO  87          2HG       PRO  87  -3.437  16.558 -11.732
  712   2HG   PRO  87          1HG       PRO  87  -2.042  15.538 -12.121
  713   1HD   PRO  87          2HD       PRO  87  -4.734  14.985 -12.711
  714   2HD   PRO  87          1HD       PRO  87  -3.382  13.839 -12.798
  715    H    GLU  88           H        GLU  88  -5.930  15.605 -11.104
  716    HA   GLU  88           HA       GLU  88  -7.236  16.896  -8.828
  717   1HB   GLU  88          2HB       GLU  88  -6.427  18.416 -11.316
  718   2HB   GLU  88          1HB       GLU  88  -7.306  19.062  -9.943
  719   1HG   GLU  88          2HG       GLU  88  -5.363  18.743  -8.523
  720   2HG   GLU  88          1HG       GLU  88  -4.473  18.049  -9.877
  721    H    ASP  89           H        ASP  89  -9.413  17.342  -9.175
  722    HA   ASP  89           HA       ASP  89 -11.490  17.189 -10.041
  723   1HB   ASP  89          2HB       ASP  89 -10.636  18.617 -11.837
  724   2HB   ASP  89          1HB       ASP  89 -10.084  17.201 -12.722
  725    H    LYS  90           H        LYS  90 -11.812  15.167  -9.105
  726    HA   LYS  90           HA       LYS  90 -11.293  12.732 -10.492
  727   1HB   LYS  90          2HB       LYS  90 -13.313  13.298  -8.310
  728   2HB   LYS  90          1HB       LYS  90 -12.811  11.704  -8.847
  729   1HG   LYS  90          2HG       LYS  90 -10.543  12.147  -8.063
  730   2HG   LYS  90          1HG       LYS  90 -11.042  13.756  -7.529
  731   1HD   LYS  90          2HD       LYS  90 -12.692  12.705  -6.018
  732   2HD   LYS  90          1HD       LYS  90 -12.103  11.117  -6.512
  733   1HE   LYS  90          2HE       LYS  90 -10.450  13.259  -5.178
  734   2HE   LYS  90          1HE       LYS  90 -11.146  11.858  -4.366
  735   1HZ   LYS  90          1HZ       LYS  90  -8.809  11.530  -4.936
  736   2HZ   LYS  90          2HZ       LYS  90  -9.166  11.738  -6.574
  737   3HZ   LYS  90          3HZ       LYS  90  -9.800  10.418  -5.735
  738    H    LYS  91           H        LYS  91 -12.604  11.581 -11.874
  739    HA   LYS  91           HA       LYS  91 -14.673  13.174 -13.131
  740   1HB   LYS  91          2HB       LYS  91 -13.743  10.442 -14.004
  741   2HB   LYS  91          1HB       LYS  91 -14.560  11.663 -14.965
  742   1HG   LYS  91          2HG       LYS  91 -11.721  11.698 -13.976
  743   2HG   LYS  91          1HG       LYS  91 -12.288  11.620 -15.642
  744   1HD   LYS  91          2HD       LYS  91 -12.584  13.959 -13.755
  745   2HD   LYS  91          1HD       LYS  91 -11.470  13.851 -15.117
  746   1HE   LYS  91          2HE       LYS  91 -13.430  13.635 -16.626
  747   2HE   LYS  91          1HE       LYS  91 -14.482  13.902 -15.239
  748   1HZ   LYS  91          1HZ       LYS  91 -14.215  15.968 -16.314
  749   2HZ   LYS  91          2HZ       LYS  91 -12.541  15.791 -16.428
  750   3HZ   LYS  91          3HZ       LYS  91 -13.254  16.052 -14.915
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  -0.524 -22.923  13.778
    2   2H    MET   1          2HT       MET   1   0.054 -24.310  14.546
    3   3H    MET   1          3HT       MET   1  -0.574 -24.412  12.980
    4    HA   MET   1           HA       MET   1   1.887 -22.986  13.797
    5   1HB   MET   1          2HB       MET   1   1.485 -25.461  12.103
    6   2HB   MET   1          1HB       MET   1   3.019 -24.642  12.333
    7   1HG   MET   1          2HG       MET   1   1.553 -25.569  14.739
    8   2HG   MET   1          1HG       MET   1   2.334 -26.774  13.726
    9   1HE   MET   1          1HE       MET   1   3.501 -23.041  14.797
   10   2HE   MET   1          2HE       MET   1   4.450 -23.509  16.207
   11   3HE   MET   1          3HE       MET   1   2.717 -23.825  16.166
   12    H    SER   2           H        SER   2   0.249 -24.242  10.877
   13    HA   SER   2           HA       SER   2   1.181 -21.824   9.482
   14   1HB   SER   2          2HB       SER   2   0.527 -24.518   8.263
   15   2HB   SER   2          1HB       SER   2   1.273 -23.141   7.454
   16    HG   SER   2           HG       SER   2   2.793 -24.748   8.104
   17    H    ARG   3           H        ARG   3  -0.403 -20.417   9.015
   18    HA   ARG   3           HA       ARG   3  -3.096 -21.446   8.508
   19   1HB   ARG   3          2HB       ARG   3  -2.858 -19.485  10.018
   20   2HB   ARG   3          1HB       ARG   3  -2.145 -18.577   8.690
   21   1HG   ARG   3          2HG       ARG   3  -4.217 -18.760   7.426
   22   2HG   ARG   3          1HG       ARG   3  -4.935 -19.714   8.725
   23   1HD   ARG   3          2HD       ARG   3  -5.670 -17.401   8.855
   24   2HD   ARG   3          1HD       ARG   3  -4.677 -17.817  10.251
   25    HE   ARG   3           HE       ARG   3  -3.211 -16.608   8.091
   26   1HH1  ARG   3          1HH1      ARG   3  -5.085 -16.007  10.984
   27   2HH1  ARG   3          2HH1      ARG   3  -4.387 -14.448  11.263
   28   1HH2  ARG   3          1HH2      ARG   3  -2.275 -14.554   8.466
   29   2HH2  ARG   3          2HH2      ARG   3  -2.762 -13.636   9.853
   30    H    THR   4           H        THR   4  -2.874 -22.380   6.533
   31    HA   THR   4           HA       THR   4  -1.617 -20.887   4.373
   32    HB   THR   4           HB       THR   4  -2.800 -23.631   4.081
   33    HG1  THR   4           1HG      THR   4  -1.214 -24.508   5.236
   34   1HG2  THR   4          1HG2      THR   4  -1.891 -22.534   2.097
   35   2HG2  THR   4          2HG2      THR   4  -0.886 -23.909   2.556
   36   3HG2  THR   4          3HG2      THR   4  -0.360 -22.269   2.933
   37    H    ILE   5           H        ILE   5  -2.749 -19.838   2.860
   38    HA   ILE   5           HA       ILE   5  -5.635 -20.373   2.663
   39    HB   ILE   5           HB       ILE   5  -5.933 -17.865   2.347
   40   1HG1  ILE   5          2HG1      ILE   5  -4.199 -16.551   3.753
   41   2HG1  ILE   5          1HG1      ILE   5  -3.131 -17.914   3.454
   42   1HG2  ILE   5          1HG2      ILE   5  -6.064 -17.448   4.771
   43   2HG2  ILE   5          2HG2      ILE   5  -5.157 -18.934   5.051
   44   3HG2  ILE   5          3HG2      ILE   5  -6.751 -19.003   4.302
   45   1HD1  ILE   5          1HD1      ILE   5  -3.338 -17.531   1.044
   46   2HD1  ILE   5          2HD1      ILE   5  -2.714 -16.114   1.889
   47   3HD1  ILE   5          3HD1      ILE   5  -4.396 -16.157   1.363
   48    H    PHE   6           H        PHE   6  -6.568 -19.129   0.711
   49    HA   PHE   6           HA       PHE   6  -4.825 -19.616  -1.573
   50   1HB   PHE   6          2HB       PHE   6  -7.776 -18.955  -1.426
   51   2HB   PHE   6          1HB       PHE   6  -6.890 -19.243  -2.919
   52    HD1  PHE   6           1HD      PHE   6  -8.455 -20.761  -0.015
   53    HD2  PHE   6           2HD      PHE   6  -6.026 -21.483  -3.434
   54    HE1  PHE   6           1HE      PHE   6  -8.891 -23.173   0.190
   55    HE2  PHE   6           2HE      PHE   6  -6.456 -23.898  -3.233
   56    HZ   PHE   6           HZ       PHE   6  -7.890 -24.746  -1.422
   57    H    CYS   7           H        CYS   7  -3.510 -17.984  -2.011
   58    HA   CYS   7           HA       CYS   7  -4.251 -15.261  -1.402
   59   1HB   CYS   7          2HB       CYS   7  -1.953 -14.749  -2.279
   60   2HB   CYS   7          1HB       CYS   7  -1.987 -15.885  -0.937
   61    HG   CYS   7           HG       CYS   7  -1.828 -18.123  -2.785
   62    H    THR   8           H        THR   8  -4.665 -13.623  -2.850
   63    HA   THR   8           HA       THR   8  -5.847 -14.481  -5.307
   64    HB   THR   8           HB       THR   8  -6.245 -11.967  -5.593
   65    HG1  THR   8           1HG      THR   8  -4.999 -10.856  -4.253
   66   1HG2  THR   8          1HG2      THR   8  -7.284 -13.369  -3.129
   67   2HG2  THR   8          2HG2      THR   8  -7.930 -13.538  -4.761
   68   3HG2  THR   8          3HG2      THR   8  -8.039 -11.990  -3.925
   69    H    TYR   9           H        TYR   9  -2.735 -13.225  -4.490
   70    HA   TYR   9           HA       TYR   9  -2.146 -12.203  -7.093
   71   1HB   TYR   9          2HB       TYR   9  -0.899 -11.372  -5.173
   72   2HB   TYR   9          1HB       TYR   9  -0.285 -12.988  -4.838
   73    HD1  TYR   9           1HD      TYR   9   1.915 -13.317  -5.430
   74    HD2  TYR   9           2HD      TYR   9  -0.455 -10.704  -7.799
   75    HE1  TYR   9           1HE      TYR   9   3.848 -12.903  -6.893
   76    HE2  TYR   9           2HE      TYR   9   1.469 -10.279  -9.270
   77    HH   TYR   9           HH       TYR   9   4.377 -12.136  -9.085
   78    H    LEU  10           H        LEU  10  -1.272 -15.198  -5.381
   79    HA   LEU  10           HA       LEU  10  -0.102 -16.297  -7.794
   80   1HB   LEU  10          2HB       LEU  10  -0.534 -17.602  -5.108
   81   2HB   LEU  10          1HB       LEU  10   0.465 -18.218  -6.411
   82    HG   LEU  10           HG       LEU  10   0.985 -15.709  -4.804
   83   1HD1  LEU  10          1HD1      LEU  10   2.399 -18.368  -4.865
   84   2HD1  LEU  10          2HD1      LEU  10   1.401 -17.749  -3.551
   85   3HD1  LEU  10          3HD1      LEU  10   2.918 -16.947  -3.960
   86   1HD2  LEU  10          1HD2      LEU  10   1.744 -15.440  -7.101
   87   2HD2  LEU  10          2HD2      LEU  10   2.599 -16.977  -7.014
   88   3HD2  LEU  10          3HD2      LEU  10   3.119 -15.625  -6.011
   89    H    GLN  11           H        GLN  11  -3.102 -16.275  -6.174
   90    HA   GLN  11           HA       GLN  11  -5.120 -17.194  -6.600
   91   1HB   GLN  11          2HB       GLN  11  -3.766 -17.756  -9.224
   92   2HB   GLN  11          1HB       GLN  11  -5.413 -18.291  -8.910
   93   1HG   GLN  11          2HG       GLN  11  -4.446 -15.442  -8.782
   94   2HG   GLN  11          1HG       GLN  11  -5.337 -16.168 -10.119
   95   1HE2  GLN  11          1HE2      GLN  11  -6.025 -13.908  -8.406
   96   2HE2  GLN  11          2HE2      GLN  11  -7.555 -14.303  -7.694
   97    H    ARG  12           H        ARG  12  -2.977 -18.728  -5.301
   98    HA   ARG  12           HA       ARG  12  -4.409 -21.212  -5.270
   99   1HB   ARG  12          2HB       ARG  12  -2.541 -22.669  -5.743
  100   2HB   ARG  12          1HB       ARG  12  -2.828 -21.601  -7.101
  101   1HG   ARG  12          2HG       ARG  12  -0.941 -20.198  -6.359
  102   2HG   ARG  12          1HG       ARG  12  -0.627 -21.359  -5.066
  103   1HD   ARG  12          2HD       ARG  12  -0.503 -23.124  -6.891
  104   2HD   ARG  12          1HD       ARG  12  -0.457 -21.789  -8.038
  105    HE   ARG  12           HE       ARG  12   1.531 -21.678  -5.939
  106   1HH1  ARG  12          1HH1      ARG  12   0.778 -22.670  -9.207
  107   2HH1  ARG  12          2HH1      ARG  12   2.439 -22.864  -9.668
  108   1HH2  ARG  12          1HH2      ARG  12   3.718 -21.944  -6.532
  109   2HH2  ARG  12          2HH2      ARG  12   4.118 -22.453  -8.141
  110    H    ASP  13           H        ASP  13  -3.089 -22.786  -3.778
  111    HA   ASP  13           HA       ASP  13  -3.392 -21.636  -1.218
  112   1HB   ASP  13          2HB       ASP  13  -3.977 -23.943  -1.696
  113   2HB   ASP  13          1HB       ASP  13  -2.311 -24.312  -2.116
  114    H    ALA  14           H        ALA  14  -1.977 -20.609   0.026
  115    HA   ALA  14           HA       ALA  14   0.839 -21.277   0.046
  116   1HB   ALA  14          1HB       ALA  14   0.724 -19.744  -1.850
  117   2HB   ALA  14          2HB       ALA  14   1.610 -19.027  -0.505
  118   3HB   ALA  14          3HB       ALA  14  -0.053 -18.533  -0.830
  119    H    GLU  15           H        GLU  15   1.998 -19.819   1.698
  120    HA   GLU  15           HA       GLU  15   0.463 -19.861   4.100
  121   1HB   GLU  15          2HB       GLU  15   3.218 -18.785   3.497
  122   2HB   GLU  15          1HB       GLU  15   2.496 -18.714   5.095
  123   1HG   GLU  15          2HG       GLU  15   3.891 -20.583   5.125
  124   2HG   GLU  15          1HG       GLU  15   2.259 -21.224   4.944
  125    H    GLY  16           H        GLY  16  -0.807 -18.331   4.891
  126   1HA   GLY  16          2HA       GLY  16  -1.094 -15.800   3.597
  127   2HA   GLY  16          1HA       GLY  16  -1.879 -16.304   5.088
  128    H    GLN  17           H        GLN  17  -0.839 -13.709   4.657
  129    HA   GLN  17           HA       GLN  17   1.716 -13.428   5.854
  130   1HB   GLN  17          2HB       GLN  17   0.574 -11.682   4.461
  131   2HB   GLN  17          1HB       GLN  17  -0.514 -11.386   5.808
  132   1HG   GLN  17          2HG       GLN  17   1.254  -9.728   5.731
  133   2HG   GLN  17          1HG       GLN  17   1.364 -10.701   7.193
  134   1HE2  GLN  17          1HE2      GLN  17   2.402 -11.758   4.014
  135   2HE2  GLN  17          2HE2      GLN  17   4.089 -11.807   4.389
  136    H    ASP  18           H        ASP  18   1.959 -12.199   8.030
  137    HA   ASP  18           HA       ASP  18   1.013 -14.147   9.887
  138   1HB   ASP  18          2HB       ASP  18   3.330 -13.136   9.843
  139   2HB   ASP  18          1HB       ASP  18   2.627 -11.693  10.561
  140    H    PHE  19           H        PHE  19   1.203 -10.797  10.980
  141    HA   PHE  19           HA       PHE  19  -1.660 -10.762  11.491
  142   1HB   PHE  19          2HB       PHE  19   0.413 -11.118  13.613
  143   2HB   PHE  19          1HB       PHE  19  -1.011 -10.151  13.973
  144    HD1  PHE  19           1HD      PHE  19   0.305 -13.480  13.507
  145    HD2  PHE  19           2HD      PHE  19  -3.264 -11.186  13.842
  146    HE1  PHE  19           1HE      PHE  19  -0.965 -15.532  13.992
  147    HE2  PHE  19           2HE      PHE  19  -4.539 -13.232  14.323
  148    HZ   PHE  19           HZ       PHE  19  -3.391 -15.407  14.400
  149    H    GLN  20           H        GLN  20  -1.878  -8.770  13.254
  150    HA   GLN  20           HA       GLN  20  -1.409  -6.486  11.635
  151   1HB   GLN  20          2HB       GLN  20  -2.391  -6.682  14.490
  152   2HB   GLN  20          1HB       GLN  20  -2.494  -5.254  13.466
  153   1HG   GLN  20          2HG       GLN  20  -3.821  -7.892  12.886
  154   2HG   GLN  20          1HG       GLN  20  -4.614  -6.492  13.609
  155   1HE2  GLN  20          1HE2      GLN  20  -5.100  -4.737  12.348
  156   2HE2  GLN  20          2HE2      GLN  20  -5.029  -4.771  10.620
  157    H    LEU  21           H        LEU  21   0.772  -6.161  11.400
  158    HA   LEU  21           HA       LEU  21   2.270  -5.549  13.842
  159   1HB   LEU  21          2HB       LEU  21   4.246  -5.635  12.126
  160   2HB   LEU  21          1HB       LEU  21   3.568  -7.105  12.794
  161    HG   LEU  21           HG       LEU  21   2.198  -7.351  10.718
  162   1HD1  LEU  21          1HD1      LEU  21   2.800  -6.086   8.741
  163   2HD1  LEU  21          2HD1      LEU  21   3.924  -5.109   9.685
  164   3HD1  LEU  21          3HD1      LEU  21   2.191  -5.016  10.003
  165   1HD2  LEU  21          1HD2      LEU  21   4.062  -8.108   9.325
  166   2HD2  LEU  21          2HD2      LEU  21   4.261  -8.585  11.010
  167   3HD2  LEU  21          3HD2      LEU  21   5.186  -7.231  10.362
  168    H    TYR  22           H        TYR  22   0.536  -3.969  11.547
  169    HA   TYR  22           HA       TYR  22   1.604  -1.444  12.238
  170   1HB   TYR  22          2HB       TYR  22   3.357  -2.145  10.643
  171   2HB   TYR  22          1HB       TYR  22   2.139  -2.291   9.385
  172    HD1  TYR  22           1HD      TYR  22   3.670   0.155  11.720
  173    HD2  TYR  22           2HD      TYR  22   1.579  -0.446   8.065
  174    HE1  TYR  22           1HE      TYR  22   4.007   2.520  11.146
  175    HE2  TYR  22           2HE      TYR  22   1.910   1.919   7.480
  176    HH   TYR  22           HH       TYR  22   4.072   3.940   9.160
  177    HA   PRO  23           HA       PRO  23  -1.908  -0.621   9.192
  178   1HB   PRO  23          2HB       PRO  23  -2.864  -2.867   7.761
  179   2HB   PRO  23          1HB       PRO  23  -1.852  -1.564   7.144
  180   1HG   PRO  23          2HG       PRO  23  -1.076  -4.225   7.436
  181   2HG   PRO  23          1HG       PRO  23   0.015  -2.847   7.221
  182   1HD   PRO  23          2HD       PRO  23  -0.758  -4.289   9.720
  183   2HD   PRO  23          1HD       PRO  23   0.800  -3.569   9.265
  184    H    GLY  24           H        GLY  24  -4.354  -1.227   8.749
  185   1HA   GLY  24          2HA       GLY  24  -5.324  -2.420  11.269
  186   2HA   GLY  24          1HA       GLY  24  -6.126  -1.116  10.410
  187    H    GLU  25           H        GLU  25  -7.980  -1.792   9.600
  188    HA   GLU  25           HA       GLU  25  -8.740  -4.470   9.418
  189   1HB   GLU  25          2HB       GLU  25  -9.917  -1.888   8.523
  190   2HB   GLU  25          1HB       GLU  25 -10.604  -3.372   7.879
  191   1HG   GLU  25          2HG       GLU  25 -11.702  -2.422   9.939
  192   2HG   GLU  25          1HG       GLU  25 -11.249  -4.124  10.008
  193    H    LEU  26           H        LEU  26  -7.805  -2.236   6.807
  194    HA   LEU  26           HA       LEU  26  -8.214  -4.098   4.726
  195   1HB   LEU  26          2HB       LEU  26  -6.447  -1.662   4.894
  196   2HB   LEU  26          1HB       LEU  26  -6.658  -2.600   3.428
  197    HG   LEU  26           HG       LEU  26  -8.885  -1.205   4.905
  198   1HD1  LEU  26          1HD1      LEU  26  -7.327   0.396   3.928
  199   2HD1  LEU  26          2HD1      LEU  26  -8.858   0.390   3.055
  200   3HD1  LEU  26          3HD1      LEU  26  -7.448  -0.420   2.371
  201   1HD2  LEU  26          1HD2      LEU  26  -9.694  -3.122   3.705
  202   2HD2  LEU  26          2HD2      LEU  26  -8.802  -2.649   2.262
  203   3HD2  LEU  26          3HD2      LEU  26 -10.153  -1.664   2.825
  204    H    GLY  27           H        GLY  27  -5.524  -3.425   6.839
  205   1HA   GLY  27          2HA       GLY  27  -3.525  -4.877   5.509
  206   2HA   GLY  27          1HA       GLY  27  -3.582  -4.571   7.240
  207    H    LYS  28           H        LYS  28  -5.637  -5.915   8.193
  208    HA   LYS  28           HA       LYS  28  -4.699  -8.576   8.170
  209   1HB   LYS  28          2HB       LYS  28  -6.518  -9.088   9.673
  210   2HB   LYS  28          1HB       LYS  28  -5.834  -7.530  10.110
  211   1HG   LYS  28          2HG       LYS  28  -7.712  -6.474   8.807
  212   2HG   LYS  28          1HG       LYS  28  -8.433  -8.082   8.710
  213   1HD   LYS  28          2HD       LYS  28  -8.298  -8.178  11.219
  214   2HD   LYS  28          1HD       LYS  28  -7.838  -6.474  11.186
  215   1HE   LYS  28          2HE       LYS  28  -9.959  -6.067   9.867
  216   2HE   LYS  28          1HE       LYS  28 -10.424  -7.714  10.279
  217   1HZ   LYS  28          1HZ       LYS  28  -9.991  -5.432  12.111
  218   2HZ   LYS  28          2HZ       LYS  28 -10.066  -7.033  12.658
  219   3HZ   LYS  28          3HZ       LYS  28 -11.401  -6.345  11.886
  220    H    ARG  29           H        ARG  29  -7.360  -6.980   6.502
  221    HA   ARG  29           HA       ARG  29  -8.660  -9.243   5.493
  222   1HB   ARG  29          2HB       ARG  29  -9.627  -7.028   5.259
  223   2HB   ARG  29          1HB       ARG  29  -8.281  -6.510   4.253
  224   1HG   ARG  29          2HG       ARG  29  -8.954  -8.118   2.532
  225   2HG   ARG  29          1HG       ARG  29 -10.313  -8.614   3.542
  226   1HD   ARG  29          2HD       ARG  29 -11.243  -6.384   3.435
  227   2HD   ARG  29          1HD       ARG  29  -9.857  -5.825   2.499
  228    HE   ARG  29           HE       ARG  29 -10.797  -7.826   0.973
  229   1HH1  ARG  29          1HH1      ARG  29 -12.397  -5.118   2.500
  230   2HH1  ARG  29          2HH1      ARG  29 -13.629  -4.994   1.285
  231   1HH2  ARG  29          1HH2      ARG  29 -12.420  -7.671  -0.628
  232   2HH2  ARG  29          2HH2      ARG  29 -13.645  -6.449  -0.493
  233    H    ILE  30           H        ILE  30  -6.123  -7.257   3.997
  234    HA   ILE  30           HA       ILE  30  -5.763  -8.878   1.730
  235    HB   ILE  30           HB       ILE  30  -3.814  -6.985   3.061
  236   1HG1  ILE  30          2HG1      ILE  30  -5.643  -6.567   0.685
  237   2HG1  ILE  30          1HG1      ILE  30  -5.987  -5.999   2.316
  238   1HG2  ILE  30          1HG2      ILE  30  -3.772  -8.188   0.294
  239   2HG2  ILE  30          2HG2      ILE  30  -2.629  -8.514   1.598
  240   3HG2  ILE  30          3HG2      ILE  30  -2.700  -6.911   0.865
  241   1HD1  ILE  30          1HD1      ILE  30  -5.123  -4.210   0.939
  242   2HD1  ILE  30          2HD1      ILE  30  -3.672  -5.153   0.591
  243   3HD1  ILE  30          3HD1      ILE  30  -3.989  -4.595   2.234
  244    H    TYR  31           H        TYR  31  -4.268  -8.931   4.925
  245    HA   TYR  31           HA       TYR  31  -2.192 -10.735   4.361
  246   1HB   TYR  31          2HB       TYR  31  -3.667 -10.121   6.922
  247   2HB   TYR  31          1HB       TYR  31  -2.303 -11.230   6.855
  248    HD1  TYR  31           1HD      TYR  31  -1.937  -9.156   8.678
  249    HD2  TYR  31           2HD      TYR  31  -1.453  -8.963   4.456
  250    HE1  TYR  31           1HE      TYR  31  -0.381  -7.269   8.946
  251    HE2  TYR  31           2HE      TYR  31   0.102  -7.085   4.712
  252    HH   TYR  31           HH       TYR  31   0.684  -5.378   6.274
  253    H    ASN  32           H        ASN  32  -5.583 -11.275   4.873
  254    HA   ASN  32           HA       ASN  32  -5.211 -14.124   5.295
  255   1HB   ASN  32          2HB       ASN  32  -7.592 -12.311   5.272
  256   2HB   ASN  32          1HB       ASN  32  -7.815 -14.051   5.121
  257   1HD2  ASN  32          1HD2      ASN  32  -6.761 -11.458   7.185
  258   2HD2  ASN  32          2HD2      ASN  32  -6.768 -12.371   8.656
  259    H    GLU  33           H        GLU  33  -5.257 -12.159   2.598
  260    HA   GLU  33           HA       GLU  33  -5.953 -14.488   0.949
  261   1HB   GLU  33          2HB       GLU  33  -6.947 -12.902  -0.740
  262   2HB   GLU  33          1HB       GLU  33  -7.881 -13.125   0.728
  263   1HG   GLU  33          2HG       GLU  33  -6.842 -10.993   1.575
  264   2HG   GLU  33          1HG       GLU  33  -6.199 -10.766  -0.052
  265    H    ILE  34           H        ILE  34  -3.492 -12.862   1.903
  266    HA   ILE  34           HA       ILE  34  -2.155 -13.019  -0.692
  267    HB   ILE  34           HB       ILE  34  -2.083 -10.713   1.225
  268   1HG1  ILE  34          2HG1      ILE  34  -3.611 -10.620  -0.688
  269   2HG1  ILE  34          1HG1      ILE  34  -2.339  -9.411  -0.833
  270   1HG2  ILE  34          1HG2      ILE  34  -0.088  -9.840   0.145
  271   2HG2  ILE  34          2HG2      ILE  34   0.046 -11.306  -0.822
  272   3HG2  ILE  34          3HG2      ILE  34   0.251 -11.384   0.927
  273   1HD1  ILE  34          1HD1      ILE  34  -2.555 -12.018  -2.314
  274   2HD1  ILE  34          2HD1      ILE  34  -1.136 -10.974  -2.359
  275   3HD1  ILE  34          3HD1      ILE  34  -2.682 -10.389  -2.974
  276    H    SER  35           H        SER  35  -0.258 -13.994  -0.683
  277    HA   SER  35           HA       SER  35   0.432 -15.561   1.587
  278   1HB   SER  35          2HB       SER  35   0.640 -16.585  -0.550
  279   2HB   SER  35          1HB       SER  35   1.595 -15.245  -1.178
  280    HG   SER  35           HG       SER  35   2.358 -17.377   0.451
  281    H    LYS  36           H        LYS  36   2.462 -15.664   2.613
  282    HA   LYS  36           HA       LYS  36   3.807 -13.399   3.435
  283   1HB   LYS  36          2HB       LYS  36   4.879 -16.200   3.010
  284   2HB   LYS  36          1HB       LYS  36   5.751 -14.938   3.866
  285   1HG   LYS  36          2HG       LYS  36   3.033 -15.884   4.716
  286   2HG   LYS  36          1HG       LYS  36   4.527 -16.637   5.274
  287   1HD   LYS  36          2HD       LYS  36   5.265 -14.385   6.081
  288   2HD   LYS  36          1HD       LYS  36   3.655 -13.780   5.688
  289   1HE   LYS  36          2HE       LYS  36   3.658 -14.305   8.009
  290   2HE   LYS  36          1HE       LYS  36   2.720 -15.555   7.192
  291   1HZ   LYS  36          1HZ       LYS  36   4.768 -16.947   7.226
  292   2HZ   LYS  36          2HZ       LYS  36   4.143 -16.604   8.758
  293   3HZ   LYS  36          3HZ       LYS  36   5.506 -15.775   8.198
  294    H    ASP  37           H        ASP  37   4.397 -15.483   0.653
  295    HA   ASP  37           HA       ASP  37   6.737 -14.216  -0.293
  296   1HB   ASP  37          2HB       ASP  37   4.648 -15.936  -1.628
  297   2HB   ASP  37          1HB       ASP  37   6.025 -15.289  -2.509
  298    H    ALA  38           H        ALA  38   3.369 -13.981  -1.368
  299    HA   ALA  38           HA       ALA  38   3.745 -12.125  -3.401
  300   1HB   ALA  38          1HB       ALA  38   1.725 -13.440  -3.182
  301   2HB   ALA  38          2HB       ALA  38   1.330 -11.721  -3.236
  302   3HB   ALA  38          3HB       ALA  38   1.304 -12.585  -1.699
  303    H    TRP  39           H        TRP  39   2.921 -11.564   0.009
  304    HA   TRP  39           HA       TRP  39   2.575  -8.776  -0.215
  305   1HB   TRP  39          2HB       TRP  39   1.745 -10.085   1.698
  306   2HB   TRP  39          1HB       TRP  39   3.400 -10.403   2.202
  307    HD1  TRP  39           HD       TRP  39   4.512  -8.652   3.752
  308    HE1  TRP  39           1HE      TRP  39   3.820  -6.356   4.686
  309    HE3  TRP  39           3HE      TRP  39   0.277  -7.898   0.991
  310    HZ2  TRP  39           2HZ      TRP  39   1.762  -4.472   4.299
  311    HZ3  TRP  39           3HZ      TRP  39  -0.996  -5.818   1.335
  312    HH2  TRP  39           HH       TRP  39  -0.270  -4.144   2.956
  313    H    ALA  40           H        ALA  40   5.387 -10.760   0.605
  314    HA   ALA  40           HA       ALA  40   7.119  -8.591   1.177
  315   1HB   ALA  40          1HB       ALA  40   8.917 -10.236   1.031
  316   2HB   ALA  40          2HB       ALA  40   7.796 -11.403   0.330
  317   3HB   ALA  40          3HB       ALA  40   7.568 -10.845   1.987
  318    H    GLN  41           H        GLN  41   6.452 -10.483  -1.723
  319    HA   GLN  41           HA       GLN  41   8.434  -9.469  -3.396
  320   1HB   GLN  41          2HB       GLN  41   5.663 -10.504  -3.974
  321   2HB   GLN  41          1HB       GLN  41   6.769 -10.016  -5.251
  322   1HG   GLN  41          2HG       GLN  41   8.320 -11.710  -4.682
  323   2HG   GLN  41          1HG       GLN  41   7.466 -12.079  -3.184
  324   1HE2  GLN  41          1HE2      GLN  41   8.190 -13.771  -5.482
  325   2HE2  GLN  41          2HE2      GLN  41   6.706 -14.486  -6.009
  326    H    TRP  42           H        TRP  42   5.140  -8.262  -2.796
  327    HA   TRP  42           HA       TRP  42   5.276  -6.153  -4.644
  328   1HB   TRP  42          2HB       TRP  42   3.122  -6.815  -3.772
  329   2HB   TRP  42          1HB       TRP  42   3.610  -6.387  -2.132
  330    HD1  TRP  42           HD       TRP  42   2.261  -4.286  -1.497
  331    HE1  TRP  42           1HE      TRP  42   1.792  -2.009  -2.597
  332    HE3  TRP  42           3HE      TRP  42   4.448  -5.099  -6.059
  333    HZ2  TRP  42           2HZ      TRP  42   2.283  -0.727  -5.052
  334    HZ3  TRP  42           3HZ      TRP  42   4.406  -3.288  -7.720
  335    HH2  TRP  42           HH       TRP  42   3.346  -1.150  -7.226
  336    H    GLN  43           H        GLN  43   5.921  -6.158  -1.132
  337    HA   GLN  43           HA       GLN  43   6.582  -3.433  -0.957
  338   1HB   GLN  43          2HB       GLN  43   7.640  -5.725   0.707
  339   2HB   GLN  43          1HB       GLN  43   7.790  -4.023   1.117
  340   1HG   GLN  43          2HG       GLN  43   5.259  -3.937   1.066
  341   2HG   GLN  43          1HG       GLN  43   5.305  -5.699   1.015
  342   1HE2  GLN  43          1HE2      GLN  43   5.873  -2.870   2.925
  343   2HE2  GLN  43          2HE2      GLN  43   6.077  -3.678   4.439
  344    H    HIS  44           H        HIS  44   8.550  -6.276  -1.628
  345    HA   HIS  44           HA       HIS  44  11.078  -5.059  -1.705
  346   1HB   HIS  44          2HB       HIS  44  10.436  -7.554  -1.752
  347   2HB   HIS  44          1HB       HIS  44  10.225  -7.343  -3.485
  348    HD1  HIS  44           1HD      HIS  44  12.256  -9.331  -2.702
  349    HD2  HIS  44           2HD      HIS  44  13.187  -5.299  -3.074
  350    HE1  HIS  44           1HE      HIS  44  14.742  -9.242  -3.050
  351    HE2  HIS  44           2HE      HIS  44  15.300  -6.789  -3.062
  352    H    LYS  45           H        LYS  45   8.722  -5.681  -4.275
  353    HA   LYS  45           HA       LYS  45  10.151  -4.546  -6.402
  354   1HB   LYS  45          2HB       LYS  45   8.179  -5.990  -6.689
  355   2HB   LYS  45          1HB       LYS  45   7.161  -4.740  -5.995
  356   1HG   LYS  45          2HG       LYS  45   6.928  -4.745  -8.389
  357   2HG   LYS  45          1HG       LYS  45   7.730  -3.260  -7.876
  358   1HD   LYS  45          2HD       LYS  45   8.797  -4.176  -9.864
  359   2HD   LYS  45          1HD       LYS  45   9.899  -4.228  -8.488
  360   1HE   LYS  45          2HE       LYS  45   9.423  -6.586  -8.163
  361   2HE   LYS  45          1HE       LYS  45   8.241  -6.551  -9.470
  362   1HZ   LYS  45          1HZ       LYS  45  10.005  -6.044 -11.019
  363   2HZ   LYS  45          2HZ       LYS  45  10.369  -7.465 -10.180
  364   3HZ   LYS  45          3HZ       LYS  45  11.148  -6.023  -9.771
  365    H    GLN  46           H        GLN  46   7.623  -3.130  -4.324
  366    HA   GLN  46           HA       GLN  46   7.618  -0.616  -5.583
  367   1HB   GLN  46          2HB       GLN  46   5.785  -1.425  -4.160
  368   2HB   GLN  46          1HB       GLN  46   6.825  -1.292  -2.748
  369   1HG   GLN  46          2HG       GLN  46   5.307   0.595  -2.902
  370   2HG   GLN  46          1HG       GLN  46   6.981   1.117  -3.071
  371   1HE2  GLN  46          1HE2      GLN  46   3.939   0.685  -4.687
  372   2HE2  GLN  46          2HE2      GLN  46   4.313   1.628  -6.092
  373    H    THR  47           H        THR  47   9.489  -1.843  -2.832
  374    HA   THR  47           HA       THR  47  10.653   0.551  -2.003
  375    HB   THR  47           HB       THR  47  11.963  -2.177  -2.084
  376    HG1  THR  47           1HG      THR  47   9.950  -2.051  -0.902
  377   1HG2  THR  47          1HG2      THR  47  12.599   0.254  -0.407
  378   2HG2  THR  47          2HG2      THR  47  13.591  -0.382  -1.719
  379   3HG2  THR  47          3HG2      THR  47  13.358  -1.330  -0.250
  380    H    MET  48           H        MET  48  11.693  -1.710  -4.529
  381    HA   MET  48           HA       MET  48  13.950  -0.266  -5.388
  382   1HB   MET  48          2HB       MET  48  13.557  -2.598  -6.030
  383   2HB   MET  48          1HB       MET  48  12.136  -2.122  -6.949
  384   1HG   MET  48          2HG       MET  48  13.541  -0.837  -8.469
  385   2HG   MET  48          1HG       MET  48  14.969  -1.290  -7.540
  386   1HE   MET  48          1HE       MET  48  16.197  -2.223  -9.661
  387   2HE   MET  48          2HE       MET  48  14.824  -1.722 -10.649
  388   3HE   MET  48          3HE       MET  48  15.469  -3.357 -10.801
  389    H    LEU  49           H        LEU  49  10.565  -0.219  -6.418
  390    HA   LEU  49           HA       LEU  49  10.839   1.611  -8.523
  391   1HB   LEU  49          2HB       LEU  49   8.593   0.601  -6.878
  392   2HB   LEU  49          1HB       LEU  49   8.320   2.096  -7.747
  393    HG   LEU  49           HG       LEU  49   8.767   1.002  -9.868
  394   1HD1  LEU  49          1HD1      LEU  49   9.144  -1.410 -10.003
  395   2HD1  LEU  49          2HD1      LEU  49   9.247  -1.489  -8.243
  396   3HD1  LEU  49          3HD1      LEU  49  10.459  -0.593  -9.159
  397   1HD2  LEU  49          1HD2      LEU  49   6.863  -0.523  -9.921
  398   2HD2  LEU  49          2HD2      LEU  49   6.496   0.926  -8.984
  399   3HD2  LEU  49          3HD2      LEU  49   6.862  -0.590  -8.158
  400    H    ILE  50           H        ILE  50  10.273   2.152  -5.065
  401    HA   ILE  50           HA       ILE  50   9.814   4.925  -5.213
  402    HB   ILE  50           HB       ILE  50  11.053   3.334  -2.955
  403   1HG1  ILE  50          2HG1      ILE  50   8.206   4.264  -3.393
  404   2HG1  ILE  50          1HG1      ILE  50   8.778   2.611  -3.609
  405   1HG2  ILE  50          1HG2      ILE  50  11.576   5.694  -2.722
  406   2HG2  ILE  50          2HG2      ILE  50  10.383   5.211  -1.516
  407   3HG2  ILE  50          3HG2      ILE  50   9.878   6.113  -2.946
  408   1HD1  ILE  50          1HD1      ILE  50   7.616   2.914  -1.487
  409   2HD1  ILE  50          2HD1      ILE  50   8.790   4.144  -1.019
  410   3HD1  ILE  50          3HD1      ILE  50   9.306   2.473  -1.244
  411    H    ASN  51           H        ASN  51  12.784   3.037  -5.056
  412    HA   ASN  51           HA       ASN  51  14.487   5.335  -4.831
  413   1HB   ASN  51          2HB       ASN  51  15.017   2.433  -5.428
  414   2HB   ASN  51          1HB       ASN  51  16.297   3.639  -5.467
  415   1HD2  ASN  51          1HD2      ASN  51  15.859   1.315  -3.728
  416   2HD2  ASN  51          2HD2      ASN  51  15.890   1.933  -2.117
  417    H    GLU  52           H        GLU  52  13.068   3.553  -7.436
  418    HA   GLU  52           HA       GLU  52  14.837   4.657  -9.432
  419   1HB   GLU  52          2HB       GLU  52  12.359   2.952  -9.621
  420   2HB   GLU  52          1HB       GLU  52  13.254   3.512 -11.026
  421   1HG   GLU  52          2HG       GLU  52  14.319   1.757  -8.823
  422   2HG   GLU  52          1HG       GLU  52  13.884   1.245 -10.454
  423    H    LYS  53           H        LYS  53  11.405   5.014  -8.581
  424    HA   LYS  53           HA       LYS  53  10.958   7.134 -10.453
  425   1HB   LYS  53          2HB       LYS  53   9.360   6.400  -7.988
  426   2HB   LYS  53          1HB       LYS  53   8.811   7.414  -9.310
  427   1HG   LYS  53          2HG       LYS  53   8.846   5.514 -10.820
  428   2HG   LYS  53          1HG       LYS  53   9.487   4.485  -9.537
  429   1HD   LYS  53          2HD       LYS  53   7.454   4.891  -8.212
  430   2HD   LYS  53          1HD       LYS  53   6.812   5.893  -9.511
  431   1HE   LYS  53          2HE       LYS  53   6.884   3.934 -11.014
  432   2HE   LYS  53          1HE       LYS  53   7.456   2.952  -9.666
  433   1HZ   LYS  53          1HZ       LYS  53   5.395   3.418  -8.490
  434   2HZ   LYS  53          2HZ       LYS  53   5.064   2.720  -9.993
  435   3HZ   LYS  53          3HZ       LYS  53   4.853   4.380  -9.771
  436    H    LYS  54           H        LYS  54  12.093   6.845  -7.208
  437    HA   LYS  54           HA       LYS  54  12.573   8.263  -5.532
  438   1HB   LYS  54          2HB       LYS  54  13.441   9.899  -7.907
  439   2HB   LYS  54          1HB       LYS  54  13.744  10.395  -6.243
  440   1HG   LYS  54          2HG       LYS  54  14.914   8.249  -5.865
  441   2HG   LYS  54          1HG       LYS  54  14.698   7.870  -7.572
  442   1HD   LYS  54          2HD       LYS  54  16.054   9.753  -8.211
  443   2HD   LYS  54          1HD       LYS  54  16.164  10.288  -6.529
  444   1HE   LYS  54          2HE       LYS  54  17.344   8.236  -5.946
  445   2HE   LYS  54          1HE       LYS  54  17.207   7.669  -7.608
  446   1HZ   LYS  54          1HZ       LYS  54  19.385   8.614  -7.118
  447   2HZ   LYS  54          2HZ       LYS  54  18.671  10.107  -6.755
  448   3HZ   LYS  54          3HZ       LYS  54  18.588   9.486  -8.328
  449    H    LEU  55           H        LEU  55  10.418   8.355  -4.920
  450    HA   LEU  55           HA       LEU  55   9.173  10.978  -5.330
  451   1HB   LEU  55          2HB       LEU  55   6.962   9.760  -5.106
  452   2HB   LEU  55          1HB       LEU  55   7.833   9.536  -6.609
  453    HG   LEU  55           HG       LEU  55   8.705   7.349  -5.572
  454   1HD1  LEU  55          1HD1      LEU  55   8.052   7.781  -3.271
  455   2HD1  LEU  55          2HD1      LEU  55   7.265   6.332  -3.893
  456   3HD1  LEU  55          3HD1      LEU  55   6.357   7.837  -3.751
  457   1HD2  LEU  55          1HD2      LEU  55   6.691   6.137  -6.257
  458   2HD2  LEU  55          2HD2      LEU  55   7.113   7.417  -7.394
  459   3HD2  LEU  55          3HD2      LEU  55   5.787   7.651  -6.256
  460    H    ASN  56           H        ASN  56   7.865  11.732  -3.602
  461    HA   ASN  56           HA       ASN  56   8.773  10.764  -0.994
  462   1HB   ASN  56          2HB       ASN  56   7.236  13.292  -1.626
  463   2HB   ASN  56          1HB       ASN  56   8.071  12.910  -0.126
  464   1HD2  ASN  56          1HD2      ASN  56  10.297  13.129  -0.020
  465   2HD2  ASN  56          2HD2      ASN  56  11.214  13.921  -1.255
  466    H    MET  57           H        MET  57   7.461   9.451   0.124
  467    HA   MET  57           HA       MET  57   4.735   9.036  -0.654
  468   1HB   MET  57          2HB       MET  57   6.409   7.989   1.616
  469   2HB   MET  57          1HB       MET  57   4.699   7.605   1.465
  470   1HG   MET  57          2HG       MET  57   6.830   6.992  -0.568
  471   2HG   MET  57          1HG       MET  57   6.096   5.840   0.548
  472   1HE   MET  57          1HE       MET  57   6.236   5.284  -2.537
  473   2HE   MET  57          2HE       MET  57   4.600   4.739  -2.903
  474   3HE   MET  57          3HE       MET  57   5.401   4.189  -1.432
  475    H    MET  58           H        MET  58   6.207  11.360   1.212
  476    HA   MET  58           HA       MET  58   4.300  11.818   3.231
  477   1HB   MET  58          2HB       MET  58   6.092  13.806   1.818
  478   2HB   MET  58          1HB       MET  58   5.223  14.108   3.312
  479   1HG   MET  58          2HG       MET  58   7.460  13.659   3.893
  480   2HG   MET  58          1HG       MET  58   6.520  12.239   4.345
  481   1HE   MET  58          1HE       MET  58   9.946  10.673   3.316
  482   2HE   MET  58          2HE       MET  58   8.713  10.787   4.572
  483   3HE   MET  58          3HE       MET  58   9.683  12.200   4.156
  484    H    ASN  59           H        ASN  59   4.426  12.658  -0.148
  485    HA   ASN  59           HA       ASN  59   2.215  14.508  -0.011
  486   1HB   ASN  59          2HB       ASN  59   3.581  13.264  -2.412
  487   2HB   ASN  59          1HB       ASN  59   2.431  14.593  -2.464
  488   1HD2  ASN  59          1HD2      ASN  59   3.076  16.633  -1.808
  489   2HD2  ASN  59          2HD2      ASN  59   4.739  17.045  -1.572
  490    H    ALA  60           H        ALA  60   0.114  14.100  -0.475
  491    HA   ALA  60           HA       ALA  60  -0.932  11.520  -0.194
  492   1HB   ALA  60          1HB       ALA  60  -3.076  12.510  -0.803
  493   2HB   ALA  60          2HB       ALA  60  -2.251  13.942  -1.416
  494   3HB   ALA  60          3HB       ALA  60  -2.191  13.560   0.305
  495    H    GLU  61           H        GLU  61  -0.034  13.353  -3.034
  496    HA   GLU  61           HA       GLU  61  -1.123  12.018  -5.145
  497   1HB   GLU  61          2HB       GLU  61   1.759  12.885  -4.827
  498   2HB   GLU  61          1HB       GLU  61   1.016  12.447  -6.356
  499   1HG   GLU  61          2HG       GLU  61  -0.424  14.327  -6.284
  500   2HG   GLU  61          1HG       GLU  61   0.038  14.698  -4.625
  501    H    HIS  62           H        HIS  62   1.836  11.078  -3.435
  502    HA   HIS  62           HA       HIS  62   2.073   8.696  -5.062
  503   1HB   HIS  62          2HB       HIS  62   3.861   9.681  -2.832
  504   2HB   HIS  62          1HB       HIS  62   4.242   8.412  -3.992
  505    HD1  HIS  62           1HD      HIS  62   5.204  11.666  -3.389
  506    HD2  HIS  62           2HD      HIS  62   3.768   9.772  -6.801
  507    HE1  HIS  62           1HE      HIS  62   5.933  13.103  -5.326
  508    HE2  HIS  62           2HE      HIS  62   4.961  11.994  -7.367
  509    H    ARG  63           H        ARG  63   0.889   9.591  -1.970
  510    HA   ARG  63           HA       ARG  63   1.159   7.110  -0.644
  511   1HB   ARG  63          2HB       ARG  63   0.649   9.141   0.596
  512   2HB   ARG  63          1HB       ARG  63  -0.871   9.319  -0.269
  513   1HG   ARG  63          2HG       ARG  63  -1.229   8.452   1.973
  514   2HG   ARG  63          1HG       ARG  63  -1.711   7.275   0.751
  515   1HD   ARG  63          2HD       ARG  63  -0.503   6.193   2.567
  516   2HD   ARG  63          1HD       ARG  63   0.403   6.087   1.059
  517    HE   ARG  63           HE       ARG  63   1.218   8.359   2.528
  518   1HH1  ARG  63          1HH1      ARG  63   1.467   4.871   2.531
  519   2HH1  ARG  63          2HH1      ARG  63   2.986   4.853   3.364
  520   1HH2  ARG  63          1HH2      ARG  63   3.214   8.350   3.623
  521   2HH2  ARG  63          2HH2      ARG  63   3.983   6.842   3.998
  522    H    LYS  64           H        LYS  64  -1.569   8.535  -2.461
  523    HA   LYS  64           HA       LYS  64  -3.067   6.101  -2.288
  524   1HB   LYS  64          2HB       LYS  64  -4.734   7.147  -3.597
  525   2HB   LYS  64          1HB       LYS  64  -4.078   8.408  -2.565
  526   1HG   LYS  64          2HG       LYS  64  -2.951   9.434  -4.329
  527   2HG   LYS  64          1HG       LYS  64  -3.084   8.005  -5.361
  528   1HD   LYS  64          2HD       LYS  64  -5.581   8.341  -5.304
  529   2HD   LYS  64          1HD       LYS  64  -5.275   9.897  -4.532
  530   1HE   LYS  64          2HE       LYS  64  -4.003  10.638  -6.443
  531   2HE   LYS  64          1HE       LYS  64  -4.164   9.053  -7.201
  532   1HZ   LYS  64          1HZ       LYS  64  -5.746  10.575  -8.144
  533   2HZ   LYS  64          2HZ       LYS  64  -6.360  10.958  -6.616
  534   3HZ   LYS  64          3HZ       LYS  64  -6.578   9.406  -7.243
  535    H    LEU  65           H        LEU  65  -0.755   7.464  -4.509
  536    HA   LEU  65           HA       LEU  65  -1.174   5.801  -6.719
  537   1HB   LEU  65          2HB       LEU  65   0.366   7.716  -6.732
  538   2HB   LEU  65          1HB       LEU  65   1.428   6.874  -5.621
  539    HG   LEU  65           HG       LEU  65   1.819   5.142  -7.356
  540   1HD1  LEU  65          1HD1      LEU  65   1.167   5.643  -9.672
  541   2HD1  LEU  65          2HD1      LEU  65   0.215   7.010  -9.093
  542   3HD1  LEU  65          3HD1      LEU  65  -0.227   5.367  -8.629
  543   1HD2  LEU  65          1HD2      LEU  65   2.432   7.964  -8.218
  544   2HD2  LEU  65          2HD2      LEU  65   3.281   6.508  -8.734
  545   3HD2  LEU  65          3HD2      LEU  65   3.359   7.023  -7.049
  546    H    LEU  66           H        LEU  66   0.865   5.355  -3.850
  547    HA   LEU  66           HA       LEU  66   1.811   2.795  -4.327
  548   1HB   LEU  66          2HB       LEU  66   2.622   4.083  -2.467
  549   2HB   LEU  66          1HB       LEU  66   1.024   4.156  -1.749
  550    HG   LEU  66           HG       LEU  66   1.126   1.697  -1.383
  551   1HD1  LEU  66          1HD1      LEU  66   3.974   2.025  -2.301
  552   2HD1  LEU  66          2HD1      LEU  66   2.707   1.116  -3.125
  553   3HD1  LEU  66          3HD1      LEU  66   3.296   0.579  -1.551
  554   1HD2  LEU  66          1HD2      LEU  66   3.373   3.292  -0.156
  555   2HD2  LEU  66          2HD2      LEU  66   2.689   1.800   0.492
  556   3HD2  LEU  66          3HD2      LEU  66   1.700   3.258   0.400
  557    H    GLU  67           H        GLU  67  -1.215   3.812  -2.780
  558    HA   GLU  67           HA       GLU  67  -2.241   1.278  -2.202
  559   1HB   GLU  67          2HB       GLU  67  -3.205   3.342  -1.307
  560   2HB   GLU  67          1HB       GLU  67  -3.732   3.809  -2.918
  561   1HG   GLU  67          2HG       GLU  67  -5.212   1.860  -2.992
  562   2HG   GLU  67          1HG       GLU  67  -4.696   1.414  -1.368
  563    H    GLN  68           H        GLN  68  -2.752   3.324  -5.069
  564    HA   GLN  68           HA       GLN  68  -4.496   1.600  -6.412
  565   1HB   GLN  68          2HB       GLN  68  -2.533   3.571  -7.591
  566   2HB   GLN  68          1HB       GLN  68  -3.880   2.838  -8.448
  567   1HG   GLN  68          2HG       GLN  68  -5.429   3.898  -6.838
  568   2HG   GLN  68          1HG       GLN  68  -4.049   4.704  -6.097
  569   1HE2  GLN  68          1HE2      GLN  68  -4.418   4.147  -9.527
  570   2HE2  GLN  68          2HE2      GLN  68  -4.633   5.800  -9.976
  571    H    GLU  69           H        GLU  69  -0.943   1.833  -6.594
  572    HA   GLU  69           HA       GLU  69  -0.665  -0.205  -8.541
  573   1HB   GLU  69          2HB       GLU  69   1.350   0.667  -6.457
  574   2HB   GLU  69          1HB       GLU  69   1.697  -0.290  -7.888
  575   1HG   GLU  69          2HG       GLU  69   0.836   1.673  -9.235
  576   2HG   GLU  69          1HG       GLU  69   0.898   2.594  -7.732
  577    H    MET  70           H        MET  70  -0.723  -0.222  -5.020
  578    HA   MET  70           HA       MET  70   0.020  -2.903  -4.608
  579   1HB   MET  70          2HB       MET  70  -0.030  -1.238  -2.806
  580   2HB   MET  70          1HB       MET  70  -1.780  -1.135  -2.938
  581   1HG   MET  70          2HG       MET  70  -1.942  -3.501  -2.281
  582   2HG   MET  70          1HG       MET  70  -0.191  -3.544  -2.080
  583   1HE   MET  70          1HE       MET  70   1.119  -2.103  -0.269
  584   2HE   MET  70          2HE       MET  70   0.337  -1.046   0.905
  585   3HE   MET  70          3HE       MET  70   0.340  -0.614  -0.804
  586    H    VAL  71           H        VAL  71  -3.177  -1.391  -4.879
  587    HA   VAL  71           HA       VAL  71  -4.659  -3.781  -4.585
  588    HB   VAL  71           HB       VAL  71  -5.478  -1.210  -5.962
  589   1HG1  VAL  71          1HG1      VAL  71  -6.946  -3.094  -6.529
  590   2HG1  VAL  71          2HG1      VAL  71  -7.769  -1.906  -5.519
  591   3HG1  VAL  71          3HG1      VAL  71  -7.190  -3.415  -4.812
  592   1HG2  VAL  71          1HG2      VAL  71  -5.873  -2.109  -3.110
  593   2HG2  VAL  71          2HG2      VAL  71  -6.508  -0.626  -3.823
  594   3HG2  VAL  71          3HG2      VAL  71  -4.765  -0.849  -3.655
  595    H    SER  72           H        SER  72  -3.003  -2.362  -7.281
  596    HA   SER  72           HA       SER  72  -4.391  -3.917  -9.266
  597   1HB   SER  72          2HB       SER  72  -3.277  -1.681  -9.695
  598   2HB   SER  72          1HB       SER  72  -1.728  -2.514  -9.581
  599    HG   SER  72           HG       SER  72  -2.109  -3.522 -11.441
  600    H    PHE  73           H        PHE  73  -1.500  -4.238  -7.330
  601    HA   PHE  73           HA       PHE  73  -0.486  -6.428  -8.929
  602   1HB   PHE  73          2HB       PHE  73   0.997  -4.704  -7.909
  603   2HB   PHE  73          1HB       PHE  73   0.550  -5.306  -6.319
  604    HD1  PHE  73           1HD      PHE  73   1.632  -7.176  -5.381
  605    HD2  PHE  73           2HD      PHE  73   2.255  -6.191  -9.472
  606    HE1  PHE  73           1HE      PHE  73   3.494  -8.776  -5.477
  607    HE2  PHE  73           2HE      PHE  73   4.118  -7.796  -9.576
  608    HZ   PHE  73           HZ       PHE  73   4.738  -9.090  -7.577
  609    H    LEU  74           H        LEU  74  -1.669  -5.992  -5.596
  610    HA   LEU  74           HA       LEU  74  -1.448  -8.866  -5.154
  611   1HB   LEU  74          2HB       LEU  74  -2.119  -6.589  -3.292
  612   2HB   LEU  74          1HB       LEU  74  -2.008  -8.269  -2.800
  613    HG   LEU  74           HG       LEU  74   0.274  -6.656  -3.947
  614   1HD1  LEU  74          1HD1      LEU  74  -0.325  -7.473  -1.108
  615   2HD1  LEU  74          2HD1      LEU  74  -0.361  -5.832  -1.756
  616   3HD1  LEU  74          3HD1      LEU  74   1.165  -6.712  -1.662
  617   1HD2  LEU  74          1HD2      LEU  74   0.169  -9.421  -2.742
  618   2HD2  LEU  74          2HD2      LEU  74   1.644  -8.555  -3.168
  619   3HD2  LEU  74          3HD2      LEU  74   0.502  -9.020  -4.427
  620    H    PHE  75           H        PHE  75  -3.910  -6.386  -5.421
  621    HA   PHE  75           HA       PHE  75  -5.974  -8.189  -4.438
  622   1HB   PHE  75          2HB       PHE  75  -5.730  -5.697  -3.831
  623   2HB   PHE  75          1HB       PHE  75  -6.390  -5.373  -5.429
  624    HD1  PHE  75           1HD      PHE  75  -7.087  -6.651  -2.082
  625    HD2  PHE  75           2HD      PHE  75  -8.715  -5.812  -5.921
  626    HE1  PHE  75           1HE      PHE  75  -9.356  -6.835  -1.154
  627    HE2  PHE  75           2HE      PHE  75 -10.989  -5.999  -5.002
  628    HZ   PHE  75           HZ       PHE  75 -11.313  -6.509  -2.613
  629    H    GLU  76           H        GLU  76  -5.122  -6.429  -7.383
  630    HA   GLU  76           HA       GLU  76  -5.689  -6.655  -9.557
  631   1HB   GLU  76          2HB       GLU  76  -6.324  -9.408  -8.553
  632   2HB   GLU  76          1HB       GLU  76  -6.687  -8.959 -10.214
  633   1HG   GLU  76          2HG       GLU  76  -3.960  -8.674  -8.980
  634   2HG   GLU  76          1HG       GLU  76  -4.489 -10.110  -9.857
  635    H    GLY  77           H        GLY  77  -7.624  -5.714  -7.501
  636   1HA   GLY  77          2HA       GLY  77  -9.980  -5.791  -9.268
  637   2HA   GLY  77          1HA       GLY  77 -10.167  -6.004  -7.532
  638    H    LYS  78           H        LYS  78  -8.688  -3.771  -9.861
  639    HA   LYS  78           HA       LYS  78  -9.450  -1.571  -8.069
  640   1HB   LYS  78          2HB       LYS  78  -7.375  -0.493  -9.438
  641   2HB   LYS  78          1HB       LYS  78  -7.229  -1.260  -7.867
  642   1HG   LYS  78          2HG       LYS  78  -5.499  -2.138  -9.184
  643   2HG   LYS  78          1HG       LYS  78  -6.722  -3.400  -9.084
  644   1HD   LYS  78          2HD       LYS  78  -5.979  -3.362 -11.327
  645   2HD   LYS  78          1HD       LYS  78  -7.569  -2.597 -11.318
  646   1HE   LYS  78          2HE       LYS  78  -6.552  -0.405 -11.392
  647   2HE   LYS  78          1HE       LYS  78  -4.945  -1.118 -11.266
  648   1HZ   LYS  78          1HZ       LYS  78  -5.454  -0.531 -13.538
  649   2HZ   LYS  78          2HZ       LYS  78  -6.837  -1.496 -13.519
  650   3HZ   LYS  78          3HZ       LYS  78  -5.308  -2.208 -13.398
  651    H    ASP  79           H        ASP  79 -10.685  -0.060  -8.862
  652    HA   ASP  79           HA       ASP  79 -11.221  -0.024 -11.743
  653   1HB   ASP  79          2HB       ASP  79 -12.758   1.300  -9.494
  654   2HB   ASP  79          1HB       ASP  79 -13.255   1.209 -11.179
  655    H    VAL  80           H        VAL  80  -9.728   1.715  -9.220
  656    HA   VAL  80           HA       VAL  80  -9.946   4.351 -10.199
  657    HB   VAL  80           HB       VAL  80  -7.672   3.264  -8.538
  658   1HG1  VAL  80          1HG1      VAL  80  -8.883   6.018  -8.724
  659   2HG1  VAL  80          2HG1      VAL  80  -7.332   5.516  -9.395
  660   3HG1  VAL  80          3HG1      VAL  80  -7.570   5.541  -7.648
  661   1HG2  VAL  80          1HG2      VAL  80  -9.783   2.589  -7.524
  662   2HG2  VAL  80          2HG2      VAL  80 -10.360   4.254  -7.593
  663   3HG2  VAL  80          3HG2      VAL  80  -8.992   3.836  -6.559
  664    H    HIS  81           H        HIS  81  -8.880   5.386 -11.759
  665    HA   HIS  81           HA       HIS  81  -7.224   3.923 -13.554
  666   1HB   HIS  81          2HB       HIS  81  -7.855   6.882 -13.426
  667   2HB   HIS  81          1HB       HIS  81  -7.011   6.094 -14.756
  668    HD1  HIS  81           1HD      HIS  81  -9.888   7.589 -14.855
  669    HD2  HIS  81           2HD      HIS  81  -9.167   3.486 -14.851
  670    HE1  HIS  81           1HE      HIS  81 -11.916   6.538 -15.893
  671    HE2  HIS  81           2HE      HIS  81 -11.531   4.057 -15.714
  672    H    ILE  82           H        ILE  82  -5.149   3.514 -13.330
  673    HA   ILE  82           HA       ILE  82  -3.598   4.932 -11.336
  674    HB   ILE  82           HB       ILE  82  -2.714   2.656 -13.123
  675   1HG1  ILE  82          2HG1      ILE  82  -3.892   2.643 -10.337
  676   2HG1  ILE  82          1HG1      ILE  82  -4.601   1.936 -11.780
  677   1HG2  ILE  82          1HG2      ILE  82  -0.865   3.937 -12.172
  678   2HG2  ILE  82          2HG2      ILE  82  -0.962   2.337 -11.435
  679   3HG2  ILE  82          3HG2      ILE  82  -1.551   3.748 -10.558
  680   1HD1  ILE  82          1HD1      ILE  82  -2.811   0.293 -11.870
  681   2HD1  ILE  82          2HD1      ILE  82  -3.635   0.249 -10.311
  682   3HD1  ILE  82          3HD1      ILE  82  -2.058   1.022 -10.451
  683    H    GLU  83           H        GLU  83  -2.630   6.759 -11.855
  684    HA   GLU  83           HA       GLU  83  -0.806   6.925 -14.034
  685   1HB   GLU  83          2HB       GLU  83  -3.076   7.270 -15.128
  686   2HB   GLU  83          1HB       GLU  83  -3.200   8.761 -14.203
  687   1HG   GLU  83          2HG       GLU  83  -1.360   9.725 -15.333
  688   2HG   GLU  83          1HG       GLU  83  -0.907   8.180 -16.052
  689    H    GLY  84           H        GLY  84  -2.885   8.928 -11.963
  690   1HA   GLY  84          2HA       GLY  84  -1.361   9.726  -9.986
  691   2HA   GLY  84          1HA       GLY  84  -0.588  10.610 -11.296
  692    H    TYR  85           H        TYR  85  -2.029  11.584  -8.920
  693    HA   TYR  85           HA       TYR  85  -3.481  13.223  -8.327
  694   1HB   TYR  85          2HB       TYR  85  -3.372  13.916 -11.276
  695   2HB   TYR  85          1HB       TYR  85  -3.934  14.978  -9.988
  696    HD1  TYR  85           1HD      TYR  85  -2.328  15.867  -8.333
  697    HD2  TYR  85           2HD      TYR  85  -1.042  13.615 -11.703
  698    HE1  TYR  85           1HE      TYR  85  -0.030  16.660  -7.981
  699    HE2  TYR  85           2HE      TYR  85   1.261  14.402 -11.361
  700    HH   TYR  85           HH       TYR  85   2.310  15.784  -8.533
  701    H    THR  86           H        THR  86  -5.667  14.364  -9.727
  702    HA   THR  86           HA       THR  86  -7.544  12.170  -9.709
  703    HB   THR  86           HB       THR  86  -8.023  15.082 -10.389
  704    HG1  THR  86           1HG      THR  86  -7.481  15.134  -8.282
  705   1HG2  THR  86          1HG2      THR  86  -9.787  13.624 -11.219
  706   2HG2  THR  86          2HG2      THR  86 -10.367  14.546  -9.834
  707   3HG2  THR  86          3HG2      THR  86  -9.921  12.854  -9.638
  708    HA   PRO  87           HA       PRO  87  -6.399  10.987 -13.755
  709   1HB   PRO  87          2HB       PRO  87  -8.832   9.741 -14.388
  710   2HB   PRO  87          1HB       PRO  87  -7.417   8.986 -13.650
  711   1HG   PRO  87          2HG       PRO  87  -9.891  10.042 -12.371
  712   2HG   PRO  87          1HG       PRO  87  -8.900   8.642 -11.920
  713   1HD   PRO  87          2HD       PRO  87  -8.796  10.916 -10.528
  714   2HD   PRO  87          1HD       PRO  87  -7.328   9.959 -10.824
  715    H    GLU  88           H        GLU  88  -9.913  11.664 -13.978
  716    HA   GLU  88           HA       GLU  88  -9.242  13.390 -16.259
  717   1HB   GLU  88          2HB       GLU  88 -11.631  12.820 -17.027
  718   2HB   GLU  88          1HB       GLU  88 -10.369  11.618 -17.231
  719   1HG   GLU  88          2HG       GLU  88 -11.786  11.391 -14.692
  720   2HG   GLU  88          1HG       GLU  88 -12.821  11.188 -16.105
  721    H    ASP  89           H        ASP  89 -12.202  12.975 -14.306
  722    HA   ASP  89           HA       ASP  89 -12.474  15.891 -14.375
  723   1HB   ASP  89          2HB       ASP  89 -14.335  14.698 -15.366
  724   2HB   ASP  89          1HB       ASP  89 -14.516  13.707 -13.922
  725    H    LYS  90           H        LYS  90 -12.269  17.056 -12.593
  726    HA   LYS  90           HA       LYS  90 -11.826  15.713 -10.066
  727   1HB   LYS  90          2HB       LYS  90 -11.619  18.612 -10.882
  728   2HB   LYS  90          1HB       LYS  90 -11.351  18.053  -9.238
  729   1HG   LYS  90          2HG       LYS  90  -9.536  16.581 -10.115
  730   2HG   LYS  90          1HG       LYS  90  -9.743  17.365 -11.682
  731   1HD   LYS  90          2HD       LYS  90  -9.181  19.512 -10.730
  732   2HD   LYS  90          1HD       LYS  90  -9.109  18.812  -9.113
  733   1HE   LYS  90          2HE       LYS  90  -6.871  19.058  -9.877
  734   2HE   LYS  90          1HE       LYS  90  -7.251  17.341  -9.932
  735   1HZ   LYS  90          1HZ       LYS  90  -6.070  18.068 -11.910
  736   2HZ   LYS  90          2HZ       LYS  90  -7.292  19.184 -12.261
  737   3HZ   LYS  90          3HZ       LYS  90  -7.622  17.526 -12.302
  738    H    LYS  91           H        LYS  91 -13.438  15.244  -8.784
  739    HA   LYS  91           HA       LYS  91 -15.818  16.946  -8.751
  740   1HB   LYS  91          2HB       LYS  91 -15.326  14.220  -7.531
  741   2HB   LYS  91          1HB       LYS  91 -16.829  15.121  -7.394
  742   1HG   LYS  91          2HG       LYS  91 -16.995  15.062  -9.885
  743   2HG   LYS  91          1HG       LYS  91 -15.604  13.976  -9.890
  744   1HD   LYS  91          2HD       LYS  91 -18.229  13.475  -8.491
  745   2HD   LYS  91          1HD       LYS  91 -17.723  12.749 -10.017
  746   1HE   LYS  91          2HE       LYS  91 -15.923  11.591  -8.938
  747   2HE   LYS  91          1HE       LYS  91 -16.218  12.447  -7.426
  748   1HZ   LYS  91          1HZ       LYS  91 -18.076  10.526  -8.718
  749   2HZ   LYS  91          2HZ       LYS  91 -18.370  11.360  -7.273
  750   3HZ   LYS  91          3HZ       LYS  91 -17.122  10.223  -7.354
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1   2.551 -23.708  11.268
    2   2H    MET   1          2HT       MET   1   2.412 -25.388  11.195
    3   3H    MET   1          3HT       MET   1   1.021 -24.429  11.272
    4    HA   MET   1           HA       MET   1   2.970 -24.495   9.041
    5   1HB   MET   1          2HB       MET   1   1.391 -26.487   9.404
    6   2HB   MET   1          1HB       MET   1   0.086 -25.384   9.002
    7   1HG   MET   1          2HG       MET   1   0.677 -26.645   7.059
    8   2HG   MET   1          1HG       MET   1   1.155 -24.967   6.819
    9   1HE   MET   1          1HE       MET   1   3.898 -27.002   4.872
   10   2HE   MET   1          2HE       MET   1   2.642 -25.770   4.753
   11   3HE   MET   1          3HE       MET   1   2.202 -27.452   5.048
   12    H    SER   2           H        SER   2   1.326 -22.421  10.831
   13    HA   SER   2           HA       SER   2   0.463 -20.350  10.559
   14   1HB   SER   2          2HB       SER   2   1.209 -20.588   7.634
   15   2HB   SER   2          1HB       SER   2   0.960 -19.106   8.557
   16    HG   SER   2           HG       SER   2   3.182 -20.682   8.350
   17    H    ARG   3           H        ARG   3  -1.227 -19.132   8.900
   18    HA   ARG   3           HA       ARG   3  -3.461 -20.965   8.800
   19   1HB   ARG   3          2HB       ARG   3  -4.814 -18.988   8.224
   20   2HB   ARG   3          1HB       ARG   3  -3.877 -18.750   9.689
   21   1HG   ARG   3          2HG       ARG   3  -2.214 -17.481   8.355
   22   2HG   ARG   3          1HG       ARG   3  -3.285 -17.634   6.959
   23   1HD   ARG   3          2HD       ARG   3  -3.624 -15.488   8.027
   24   2HD   ARG   3          1HD       ARG   3  -5.061 -16.492   8.227
   25    HE   ARG   3           HE       ARG   3  -3.134 -16.548  10.399
   26   1HH1  ARG   3          1HH1      ARG   3  -6.141 -15.239   9.149
   27   2HH1  ARG   3          2HH1      ARG   3  -6.686 -14.694  10.704
   28   1HH2  ARG   3          1HH2      ARG   3  -3.871 -15.848  12.443
   29   2HH2  ARG   3          2HH2      ARG   3  -5.405 -15.040  12.568
   30    H    THR   4           H        THR   4  -4.145 -22.004   7.085
   31    HA   THR   4           HA       THR   4  -2.843 -21.559   4.538
   32    HB   THR   4           HB       THR   4  -4.295 -23.576   3.860
   33    HG1  THR   4           1HG      THR   4  -5.676 -24.189   5.327
   34   1HG2  THR   4          1HG2      THR   4  -2.761 -25.154   4.937
   35   2HG2  THR   4          2HG2      THR   4  -2.238 -23.890   6.050
   36   3HG2  THR   4          3HG2      THR   4  -1.901 -23.742   4.325
   37    H    ILE   5           H        ILE   5  -3.620 -19.946   3.375
   38    HA   ILE   5           HA       ILE   5  -6.536 -19.591   3.224
   39    HB   ILE   5           HB       ILE   5  -6.023 -17.165   2.759
   40   1HG1  ILE   5          2HG1      ILE   5  -3.774 -16.472   3.905
   41   2HG1  ILE   5          1HG1      ILE   5  -3.274 -18.116   3.528
   42   1HG2  ILE   5          1HG2      ILE   5  -5.279 -18.277   5.460
   43   2HG2  ILE   5          2HG2      ILE   5  -6.905 -17.905   4.889
   44   3HG2  ILE   5          3HG2      ILE   5  -5.737 -16.606   5.134
   45   1HD1  ILE   5          1HD1      ILE   5  -2.513 -16.552   1.839
   46   2HD1  ILE   5          2HD1      ILE   5  -4.174 -16.042   1.539
   47   3HD1  ILE   5          3HD1      ILE   5  -3.675 -17.690   1.158
   48    H    PHE   6           H        PHE   6  -7.231 -18.398   1.221
   49    HA   PHE   6           HA       PHE   6  -5.898 -19.603  -1.076
   50   1HB   PHE   6          2HB       PHE   6  -8.560 -18.175  -0.848
   51   2HB   PHE   6          1HB       PHE   6  -7.928 -18.893  -2.326
   52    HD1  PHE   6           1HD      PHE   6  -7.690 -21.337  -2.506
   53    HD2  PHE   6           2HD      PHE   6  -9.563 -19.505   0.847
   54    HE1  PHE   6           1HE      PHE   6  -8.711 -23.490  -1.904
   55    HE2  PHE   6           2HE      PHE   6 -10.582 -21.659   1.460
   56    HZ   PHE   6           HZ       PHE   6 -10.156 -23.655   0.082
   57    H    CYS   7           H        CYS   7  -4.202 -18.393  -1.675
   58    HA   CYS   7           HA       CYS   7  -4.168 -15.550  -1.430
   59   1HB   CYS   7          2HB       CYS   7  -2.107 -16.866  -1.249
   60   2HB   CYS   7          1HB       CYS   7  -2.290 -17.394  -2.919
   61    HG   CYS   7           HG       CYS   7  -2.128 -14.070  -2.297
   62    H    THR   8           H        THR   8  -4.712 -14.027  -2.850
   63    HA   THR   8           HA       THR   8  -6.299 -14.642  -5.094
   64    HB   THR   8           HB       THR   8  -5.889 -12.121  -5.574
   65    HG1  THR   8           1HG      THR   8  -4.578 -11.124  -4.246
   66   1HG2  THR   8          1HG2      THR   8  -7.118 -12.983  -2.950
   67   2HG2  THR   8          2HG2      THR   8  -7.920 -13.032  -4.521
   68   3HG2  THR   8          3HG2      THR   8  -7.456 -11.484  -3.815
   69    H    TYR   9           H        TYR   9  -2.917 -13.628  -4.810
   70    HA   TYR   9           HA       TYR   9  -2.593 -13.295  -7.631
   71   1HB   TYR   9          2HB       TYR   9  -1.257 -12.040  -5.954
   72   2HB   TYR   9          1HB       TYR   9  -0.460 -13.543  -5.500
   73    HD1  TYR   9           1HD      TYR   9  -1.110 -11.417  -8.499
   74    HD2  TYR   9           2HD      TYR   9   1.541 -14.110  -6.538
   75    HE1  TYR   9           1HE      TYR   9   0.553 -11.061 -10.272
   76    HE2  TYR   9           2HE      TYR   9   3.211 -13.760  -8.309
   77    HH   TYR   9           HH       TYR   9   3.416 -13.005 -10.526
   78    H    LEU  10           H        LEU  10  -1.901 -15.868  -5.328
   79    HA   LEU  10           HA       LEU  10  -0.487 -17.435  -7.306
   80   1HB   LEU  10          2HB       LEU  10  -1.333 -18.108  -4.494
   81   2HB   LEU  10          1HB       LEU  10  -0.349 -19.137  -5.515
   82    HG   LEU  10           HG       LEU  10   0.436 -16.395  -4.525
   83   1HD1  LEU  10          1HD1      LEU  10   0.388 -18.068  -2.747
   84   2HD1  LEU  10          2HD1      LEU  10   2.044 -17.605  -3.146
   85   3HD1  LEU  10          3HD1      LEU  10   1.393 -19.139  -3.725
   86   1HD2  LEU  10          1HD2      LEU  10   1.429 -16.848  -6.674
   87   2HD2  LEU  10          2HD2      LEU  10   1.928 -18.453  -6.142
   88   3HD2  LEU  10          3HD2      LEU  10   2.656 -17.019  -5.418
   89    H    GLN  11           H        GLN  11  -3.676 -17.300  -5.900
   90    HA   GLN  11           HA       GLN  11  -5.584 -18.473  -6.208
   91   1HB   GLN  11          2HB       GLN  11  -4.198 -19.232  -8.783
   92   2HB   GLN  11          1HB       GLN  11  -5.851 -19.699  -8.405
   93   1HG   GLN  11          2HG       GLN  11  -4.826 -16.875  -8.605
   94   2HG   GLN  11          1HG       GLN  11  -5.766 -17.722  -9.832
   95   1HE2  GLN  11          1HE2      GLN  11  -6.328 -15.273  -8.310
   96   2HE2  GLN  11          2HE2      GLN  11  -7.855 -15.541  -7.541
   97    H    ARG  12           H        ARG  12  -3.436 -19.555  -4.717
   98    HA   ARG  12           HA       ARG  12  -4.127 -22.407  -4.795
   99   1HB   ARG  12          2HB       ARG  12  -1.344 -21.292  -4.364
  100   2HB   ARG  12          1HB       ARG  12  -1.799 -22.982  -4.211
  101   1HG   ARG  12          2HG       ARG  12  -2.021 -21.403  -6.761
  102   2HG   ARG  12          1HG       ARG  12  -0.636 -22.408  -6.326
  103   1HD   ARG  12          2HD       ARG  12  -2.178 -24.347  -6.141
  104   2HD   ARG  12          1HD       ARG  12  -3.482 -23.317  -6.730
  105    HE   ARG  12           HE       ARG  12  -1.646 -23.034  -8.659
  106   1HH1  ARG  12          1HH1      ARG  12  -2.975 -25.876  -7.104
  107   2HH1  ARG  12          2HH1      ARG  12  -2.718 -26.899  -8.482
  108   1HH2  ARG  12          1HH2      ARG  12  -1.315 -24.375 -10.465
  109   2HH2  ARG  12          2HH2      ARG  12  -1.773 -26.046 -10.391
  110    H    ASP  13           H        ASP  13  -3.269 -23.434  -2.659
  111    HA   ASP  13           HA       ASP  13  -4.120 -21.775  -0.439
  112   1HB   ASP  13          2HB       ASP  13  -3.054 -24.613  -0.424
  113   2HB   ASP  13          1HB       ASP  13  -3.821 -23.785   0.923
  114    H    ALA  14           H        ALA  14  -2.761 -20.565   0.695
  115    HA   ALA  14           HA       ALA  14   0.049 -21.373   0.933
  116   1HB   ALA  14          1HB       ALA  14  -0.843 -18.644   0.002
  117   2HB   ALA  14          2HB       ALA  14  -0.026 -19.863  -0.979
  118   3HB   ALA  14          3HB       ALA  14   0.817 -19.115   0.376
  119    H    GLU  15           H        GLU  15   1.175 -19.755   2.518
  120    HA   GLU  15           HA       GLU  15  -0.443 -19.730   4.893
  121   1HB   GLU  15          2HB       GLU  15   1.568 -18.962   6.037
  122   2HB   GLU  15          1HB       GLU  15   1.938 -20.328   5.000
  123   1HG   GLU  15          2HG       GLU  15   2.921 -18.872   3.354
  124   2HG   GLU  15          1HG       GLU  15   2.454 -17.452   4.288
  125    H    GLY  16           H        GLY  16  -1.180 -17.955   6.024
  126   1HA   GLY  16          2HA       GLY  16  -1.712 -15.599   4.472
  127   2HA   GLY  16          1HA       GLY  16  -2.219 -15.890   6.129
  128    H    GLN  17           H        GLN  17   1.027 -15.957   4.834
  129    HA   GLN  17           HA       GLN  17   2.948 -14.933   5.430
  130   1HB   GLN  17          2HB       GLN  17   3.003 -12.607   4.855
  131   2HB   GLN  17          1HB       GLN  17   1.937 -13.448   3.756
  132   1HG   GLN  17          2HG       GLN  17   0.010 -12.535   4.784
  133   2HG   GLN  17          1HG       GLN  17   0.956 -11.890   6.126
  134   1HE2  GLN  17          1HE2      GLN  17   2.279 -10.099   5.773
  135   2HE2  GLN  17          2HE2      GLN  17   2.048  -9.047   4.424
  136    H    ASP  18           H        ASP  18   3.146 -12.252   6.650
  137    HA   ASP  18           HA       ASP  18   3.584 -13.086   9.319
  138   1HB   ASP  18          2HB       ASP  18   3.736 -10.413   7.948
  139   2HB   ASP  18          1HB       ASP  18   4.019 -10.577   9.676
  140    H    PHE  19           H        PHE  19   2.888 -11.499  11.127
  141    HA   PHE  19           HA       PHE  19  -0.016 -11.587  11.236
  142   1HB   PHE  19          2HB       PHE  19   1.398 -12.513  13.084
  143   2HB   PHE  19          1HB       PHE  19   1.986 -10.884  13.401
  144    HD1  PHE  19           1HD      PHE  19   0.928  -9.612  14.994
  145    HD2  PHE  19           2HD      PHE  19  -1.203 -12.799  13.150
  146    HE1  PHE  19           1HE      PHE  19  -0.961  -9.226  16.520
  147    HE2  PHE  19           2HE      PHE  19  -3.098 -12.418  14.672
  148    HZ   PHE  19           HZ       PHE  19  -2.978 -10.628  16.362
  149    H    GLN  20           H        GLN  20  -1.168  -9.738  12.235
  150    HA   GLN  20           HA       GLN  20  -1.085  -7.394  10.870
  151   1HB   GLN  20          2HB       GLN  20  -1.979  -7.953  13.691
  152   2HB   GLN  20          1HB       GLN  20  -2.203  -6.382  12.936
  153   1HG   GLN  20          2HG       GLN  20  -3.273  -8.964  11.825
  154   2HG   GLN  20          1HG       GLN  20  -4.191  -7.854  12.840
  155   1HE2  GLN  20          1HE2      GLN  20  -4.807  -5.859  12.023
  156   2HE2  GLN  20          2HE2      GLN  20  -4.785  -5.508  10.331
  157    H    LEU  21           H        LEU  21   0.187  -5.676  10.761
  158    HA   LEU  21           HA       LEU  21   2.254  -5.325  12.809
  159   1HB   LEU  21          2HB       LEU  21   2.094  -3.978  10.111
  160   2HB   LEU  21          1HB       LEU  21   3.455  -3.972  11.214
  161    HG   LEU  21           HG       LEU  21   3.425  -6.562  10.827
  162   1HD1  LEU  21          1HD1      LEU  21   1.998  -5.542   8.376
  163   2HD1  LEU  21          2HD1      LEU  21   1.365  -6.674   9.571
  164   3HD1  LEU  21          3HD1      LEU  21   2.719  -7.144   8.542
  165   1HD2  LEU  21          1HD2      LEU  21   5.245  -5.062  10.211
  166   2HD2  LEU  21          2HD2      LEU  21   4.391  -4.617   8.734
  167   3HD2  LEU  21          3HD2      LEU  21   4.968  -6.269   8.956
  168    H    TYR  22           H        TYR  22   0.446  -3.166  10.661
  169    HA   TYR  22           HA       TYR  22  -0.356  -1.550  12.941
  170   1HB   TYR  22          2HB       TYR  22   1.341  -0.570  10.663
  171   2HB   TYR  22          1HB       TYR  22   0.302   0.530  11.561
  172    HD1  TYR  22           1HD      TYR  22   3.404  -1.336  11.577
  173    HD2  TYR  22           2HD      TYR  22   0.687   0.853  14.006
  174    HE1  TYR  22           1HE      TYR  22   5.132  -1.125  13.311
  175    HE2  TYR  22           2HE      TYR  22   2.412   1.076  15.741
  176    HH   TYR  22           HH       TYR  22   5.670   0.386  15.203
  177    HA   PRO  23           HA       PRO  23  -3.136  -0.578   8.993
  178   1HB   PRO  23          2HB       PRO  23  -2.629  -3.133   7.563
  179   2HB   PRO  23          1HB       PRO  23  -2.938  -1.521   6.908
  180   1HG   PRO  23          2HG       PRO  23  -0.491  -2.558   6.857
  181   2HG   PRO  23          1HG       PRO  23  -0.741  -0.840   7.216
  182   1HD   PRO  23          2HD       PRO  23  -0.130  -3.097   9.076
  183   2HD   PRO  23          1HD       PRO  23   0.480  -1.429   9.090
  184    H    GLY  24           H        GLY  24  -5.250  -1.108   9.312
  185   1HA   GLY  24          2HA       GLY  24  -5.662  -3.199  11.297
  186   2HA   GLY  24          1HA       GLY  24  -6.782  -1.910  10.895
  187    H    GLU  25           H        GLU  25  -8.504  -2.416   9.713
  188    HA   GLU  25           HA       GLU  25  -9.055  -5.123   9.158
  189   1HB   GLU  25          2HB       GLU  25 -10.532  -2.702   8.117
  190   2HB   GLU  25          1HB       GLU  25 -11.153  -4.345   8.209
  191   1HG   GLU  25          2HG       GLU  25 -10.592  -2.424  10.439
  192   2HG   GLU  25          1HG       GLU  25 -12.106  -3.223  10.020
  193    H    LEU  26           H        LEU  26  -8.056  -2.439   7.113
  194    HA   LEU  26           HA       LEU  26  -8.301  -3.852   4.666
  195   1HB   LEU  26          2HB       LEU  26  -8.190  -1.400   4.772
  196   2HB   LEU  26          1HB       LEU  26  -6.546  -1.501   5.371
  197    HG   LEU  26           HG       LEU  26  -5.830  -2.508   3.246
  198   1HD1  LEU  26          1HD1      LEU  26  -7.892  -3.602   2.601
  199   2HD1  LEU  26          2HD1      LEU  26  -7.366  -2.501   1.328
  200   3HD1  LEU  26          3HD1      LEU  26  -8.687  -2.042   2.403
  201   1HD2  LEU  26          1HD2      LEU  26  -5.708  -0.086   3.560
  202   2HD2  LEU  26          2HD2      LEU  26  -7.337   0.081   2.907
  203   3HD2  LEU  26          3HD2      LEU  26  -6.032  -0.508   1.878
  204    H    GLY  27           H        GLY  27  -5.759  -3.495   7.052
  205   1HA   GLY  27          2HA       GLY  27  -3.634  -4.630   5.602
  206   2HA   GLY  27          1HA       GLY  27  -3.775  -4.600   7.354
  207    H    LYS  28           H        LYS  28  -5.729  -6.155   8.040
  208    HA   LYS  28           HA       LYS  28  -4.727  -8.747   7.697
  209   1HB   LYS  28          2HB       LYS  28  -6.709  -9.494   8.917
  210   2HB   LYS  28          1HB       LYS  28  -6.038  -8.047   9.657
  211   1HG   LYS  28          2HG       LYS  28  -7.743  -6.707   8.458
  212   2HG   LYS  28          1HG       LYS  28  -8.458  -8.210   7.881
  213   1HD   LYS  28          2HD       LYS  28  -9.686  -7.454   9.799
  214   2HD   LYS  28          1HD       LYS  28  -8.776  -8.898  10.246
  215   1HE   LYS  28          2HE       LYS  28  -7.133  -7.600  11.387
  216   2HE   LYS  28          1HE       LYS  28  -7.802  -6.096  10.754
  217   1HZ   LYS  28          1HZ       LYS  28  -9.784  -6.442  12.046
  218   2HZ   LYS  28          2HZ       LYS  28  -8.430  -6.510  13.063
  219   3HZ   LYS  28          3HZ       LYS  28  -9.214  -7.937  12.605
  220    H    ARG  29           H        ARG  29  -7.188  -6.973   5.985
  221    HA   ARG  29           HA       ARG  29  -8.428  -9.086   4.616
  222   1HB   ARG  29          2HB       ARG  29  -9.303  -6.773   4.732
  223   2HB   ARG  29          1HB       ARG  29  -7.993  -6.243   3.687
  224   1HG   ARG  29          2HG       ARG  29  -8.841  -7.675   1.898
  225   2HG   ARG  29          1HG       ARG  29 -10.157  -8.199   2.951
  226   1HD   ARG  29          2HD       ARG  29 -10.915  -5.858   3.118
  227   2HD   ARG  29          1HD       ARG  29  -9.640  -5.386   1.996
  228    HE   ARG  29           HE       ARG  29 -11.107  -7.394   0.763
  229   1HH1  ARG  29          1HH1      ARG  29 -11.633  -4.136   1.925
  230   2HH1  ARG  29          2HH1      ARG  29 -12.866  -3.778   0.765
  231   1HH2  ARG  29          1HH2      ARG  29 -12.741  -6.947  -0.767
  232   2HH2  ARG  29          2HH2      ARG  29 -13.514  -5.393  -0.764
  233    H    ILE  30           H        ILE  30  -5.546  -7.178   3.902
  234    HA   ILE  30           HA       ILE  30  -5.128  -8.467   1.360
  235    HB   ILE  30           HB       ILE  30  -3.239  -6.749   2.982
  236   1HG1  ILE  30          2HG1      ILE  30  -5.007  -6.020   0.632
  237   2HG1  ILE  30          1HG1      ILE  30  -5.328  -5.595   2.310
  238   1HG2  ILE  30          1HG2      ILE  30  -2.048  -8.150   1.388
  239   2HG2  ILE  30          2HG2      ILE  30  -2.018  -6.464   0.873
  240   3HG2  ILE  30          3HG2      ILE  30  -3.111  -7.605   0.089
  241   1HD1  ILE  30          1HD1      ILE  30  -2.981  -4.676   0.666
  242   2HD1  ILE  30          2HD1      ILE  30  -3.272  -4.269   2.358
  243   3HD1  ILE  30          3HD1      ILE  30  -4.391  -3.716   1.112
  244    H    TYR  31           H        TYR  31  -3.799  -8.702   4.628
  245    HA   TYR  31           HA       TYR  31  -1.640 -10.391   3.967
  246   1HB   TYR  31          2HB       TYR  31  -3.019 -10.083   6.639
  247   2HB   TYR  31          1HB       TYR  31  -1.433 -10.796   6.378
  248    HD1  TYR  31           1HD      TYR  31  -0.817  -8.550   4.173
  249    HD2  TYR  31           2HD      TYR  31  -2.036  -8.519   8.245
  250    HE1  TYR  31           1HE      TYR  31   0.201  -6.337   4.454
  251    HE2  TYR  31           2HE      TYR  31  -1.022  -6.298   8.535
  252    HH   TYR  31           HH       TYR  31   0.035  -4.399   5.900
  253    H    ASN  32           H        ASN  32  -4.998 -11.122   4.659
  254    HA   ASN  32           HA       ASN  32  -4.316 -13.935   4.997
  255   1HB   ASN  32          2HB       ASN  32  -6.411 -14.322   5.900
  256   2HB   ASN  32          1HB       ASN  32  -6.078 -12.683   6.427
  257   1HD2  ASN  32          1HD2      ASN  32  -6.705 -11.411   3.915
  258   2HD2  ASN  32          2HD2      ASN  32  -8.415 -11.528   3.717
  259    H    GLU  33           H        GLU  33  -4.744 -12.012   2.416
  260    HA   GLU  33           HA       GLU  33  -5.714 -14.288   0.819
  261   1HB   GLU  33          2HB       GLU  33  -6.244 -11.344   0.377
  262   2HB   GLU  33          1HB       GLU  33  -6.543 -12.577  -0.845
  263   1HG   GLU  33          2HG       GLU  33  -8.113 -13.693   0.648
  264   2HG   GLU  33          1HG       GLU  33  -7.807 -12.479   1.888
  265    H    ILE  34           H        ILE  34  -3.127 -12.551   1.653
  266    HA   ILE  34           HA       ILE  34  -1.744 -13.187  -0.855
  267    HB   ILE  34           HB       ILE  34  -1.579 -10.676   0.782
  268   1HG1  ILE  34          2HG1      ILE  34  -2.995 -10.731  -1.222
  269   2HG1  ILE  34          1HG1      ILE  34  -1.645  -9.616  -1.413
  270   1HG2  ILE  34          1HG2      ILE  34   0.526 -10.086  -0.338
  271   2HG2  ILE  34          2HG2      ILE  34   0.606 -11.710  -1.018
  272   3HG2  ILE  34          3HG2      ILE  34   0.710 -11.481   0.726
  273   1HD1  ILE  34          1HD1      ILE  34  -0.444 -11.404  -2.665
  274   2HD1  ILE  34          2HD1      ILE  34  -1.912 -10.816  -3.451
  275   3HD1  ILE  34          3HD1      ILE  34  -1.924 -12.360  -2.602
  276    H    SER  35           H        SER  35   0.218 -14.215  -0.616
  277    HA   SER  35           HA       SER  35   0.825 -15.023   2.121
  278   1HB   SER  35          2HB       SER  35   0.396 -16.753   0.354
  279   2HB   SER  35          1HB       SER  35   1.896 -16.241  -0.420
  280    HG   SER  35           HG       SER  35   1.543 -17.374   2.156
  281    H    LYS  36           H        LYS  36   3.163 -15.547   2.427
  282    HA   LYS  36           HA       LYS  36   4.596 -13.181   2.628
  283   1HB   LYS  36          2HB       LYS  36   4.974 -14.920   4.187
  284   2HB   LYS  36          1HB       LYS  36   5.340 -16.082   2.925
  285   1HG   LYS  36          2HG       LYS  36   7.458 -15.134   2.527
  286   2HG   LYS  36          1HG       LYS  36   7.073 -13.695   3.469
  287   1HD   LYS  36          2HD       LYS  36   7.160 -16.458   4.656
  288   2HD   LYS  36          1HD       LYS  36   8.565 -15.389   4.611
  289   1HE   LYS  36          2HE       LYS  36   5.915 -14.765   5.914
  290   2HE   LYS  36          1HE       LYS  36   7.375 -15.274   6.761
  291   1HZ   LYS  36          1HZ       LYS  36   8.460 -13.280   6.186
  292   2HZ   LYS  36          2HZ       LYS  36   6.919 -12.815   6.718
  293   3HZ   LYS  36          3HZ       LYS  36   7.274 -12.849   5.063
  294    H    ASP  37           H        ASP  37   4.650 -15.645   0.122
  295    HA   ASP  37           HA       ASP  37   7.154 -14.851  -0.997
  296   1HB   ASP  37          2HB       ASP  37   6.706 -16.384  -2.753
  297   2HB   ASP  37          1HB       ASP  37   6.014 -17.107  -1.306
  298    H    ALA  38           H        ALA  38   3.779 -14.080  -1.684
  299    HA   ALA  38           HA       ALA  38   4.425 -12.413  -3.936
  300   1HB   ALA  38          1HB       ALA  38   2.050 -11.870  -3.954
  301   2HB   ALA  38          2HB       ALA  38   1.848 -12.662  -2.390
  302   3HB   ALA  38          3HB       ALA  38   2.294 -13.610  -3.809
  303    H    TRP  39           H        TRP  39   3.634 -11.937  -0.539
  304    HA   TRP  39           HA       TRP  39   3.380  -9.144  -0.560
  305   1HB   TRP  39          2HB       TRP  39   2.711 -10.636   1.326
  306   2HB   TRP  39          1HB       TRP  39   4.415 -10.875   1.699
  307    HD1  TRP  39           HD       TRP  39   5.398  -9.258   3.426
  308    HE1  TRP  39           1HE      TRP  39   4.690  -7.006   4.450
  309    HE3  TRP  39           3HE      TRP  39   1.275  -8.320   0.554
  310    HZ2  TRP  39           2HZ      TRP  39   2.657  -5.083   4.086
  311    HZ3  TRP  39           3HZ      TRP  39   0.010  -6.249   0.954
  312    HH2  TRP  39           HH       TRP  39   0.686  -4.667   2.684
  313    H    ALA  40           H        ALA  40   6.212 -11.196   0.105
  314    HA   ALA  40           HA       ALA  40   8.012  -9.035   0.491
  315   1HB   ALA  40          1HB       ALA  40   8.592 -11.889  -0.306
  316   2HB   ALA  40          2HB       ALA  40   8.488 -11.271   1.344
  317   3HB   ALA  40          3HB       ALA  40   9.779 -10.722   0.275
  318    H    GLN  41           H        GLN  41   7.040 -10.918  -2.305
  319    HA   GLN  41           HA       GLN  41   8.907 -10.069  -4.180
  320   1HB   GLN  41          2HB       GLN  41   7.384 -11.848  -4.715
  321   2HB   GLN  41          1HB       GLN  41   5.993 -10.805  -4.473
  322   1HG   GLN  41          2HG       GLN  41   6.261 -11.109  -6.804
  323   2HG   GLN  41          1HG       GLN  41   6.744  -9.459  -6.423
  324   1HE2  GLN  41          1HE2      GLN  41   8.746 -12.278  -5.810
  325   2HE2  GLN  41          2HE2      GLN  41   9.941 -11.919  -7.007
  326    H    TRP  42           H        TRP  42   5.725  -8.624  -3.400
  327    HA   TRP  42           HA       TRP  42   6.200  -6.547  -5.328
  328   1HB   TRP  42          2HB       TRP  42   3.924  -7.502  -4.886
  329   2HB   TRP  42          1HB       TRP  42   3.937  -6.656  -3.338
  330    HD1  TRP  42           HD       TRP  42   2.601  -4.466  -3.498
  331    HE1  TRP  42           1HE      TRP  42   2.244  -2.647  -5.292
  332    HE3  TRP  42           3HE      TRP  42   5.408  -6.461  -7.280
  333    HZ2  TRP  42           2HZ      TRP  42   3.028  -2.134  -7.939
  334    HZ3  TRP  42           3HZ      TRP  42   5.553  -5.238  -9.409
  335    HH2  TRP  42           HH       TRP  42   4.387  -3.121  -9.730
  336    H    GLN  43           H        GLN  43   6.350  -6.783  -1.793
  337    HA   GLN  43           HA       GLN  43   6.614  -4.007  -1.351
  338   1HB   GLN  43          2HB       GLN  43   7.420  -6.416   0.227
  339   2HB   GLN  43          1HB       GLN  43   7.964  -4.822   0.731
  340   1HG   GLN  43          2HG       GLN  43   5.452  -4.198   0.533
  341   2HG   GLN  43          1HG       GLN  43   5.203  -5.939   0.643
  342   1HE2  GLN  43          1HE2      GLN  43   4.517  -3.758   2.489
  343   2HE2  GLN  43          2HE2      GLN  43   5.242  -4.180   3.999
  344    H    HIS  44           H        HIS  44   8.978  -6.507  -2.094
  345    HA   HIS  44           HA       HIS  44  11.290  -4.934  -1.767
  346   1HB   HIS  44          2HB       HIS  44  11.302  -7.397  -1.947
  347   2HB   HIS  44          1HB       HIS  44  10.826  -7.266  -3.636
  348    HD1  HIS  44           1HD      HIS  44  13.759  -6.621  -1.352
  349    HD2  HIS  44           2HD      HIS  44  12.877  -6.749  -5.409
  350    HE1  HIS  44           1HE      HIS  44  15.983  -6.569  -2.527
  351    HE2  HIS  44           2HE      HIS  44  15.403  -6.425  -4.977
  352    H    LYS  45           H        LYS  45   9.286  -5.628  -4.601
  353    HA   LYS  45           HA       LYS  45  10.846  -4.102  -6.415
  354   1HB   LYS  45          2HB       LYS  45   9.347  -5.943  -7.097
  355   2HB   LYS  45          1HB       LYS  45   7.958  -4.981  -6.619
  356   1HG   LYS  45          2HG       LYS  45   8.261  -4.945  -9.019
  357   2HG   LYS  45          1HG       LYS  45   8.498  -3.335  -8.340
  358   1HD   LYS  45          2HD       LYS  45  10.892  -3.562  -8.513
  359   2HD   LYS  45          1HD       LYS  45  10.733  -5.244  -9.023
  360   1HE   LYS  45          2HE       LYS  45   9.579  -4.528 -11.052
  361   2HE   LYS  45          1HE       LYS  45   9.698  -2.848 -10.535
  362   1HZ   LYS  45          1HZ       LYS  45  11.970  -4.641 -11.199
  363   2HZ   LYS  45          2HZ       LYS  45  12.121  -3.055 -10.640
  364   3HZ   LYS  45          3HZ       LYS  45  11.398  -3.354 -12.138
  365    H    GLN  46           H        GLN  46   7.893  -3.416  -4.578
  366    HA   GLN  46           HA       GLN  46   7.330  -0.908  -5.688
  367   1HB   GLN  46          2HB       GLN  46   5.776  -2.225  -4.249
  368   2HB   GLN  46          1HB       GLN  46   6.764  -1.805  -2.856
  369   1HG   GLN  46          2HG       GLN  46   4.866  -0.360  -2.917
  370   2HG   GLN  46          1HG       GLN  46   6.305   0.583  -3.304
  371   1HE2  GLN  46          1HE2      GLN  46   5.184   2.167  -4.388
  372   2HE2  GLN  46          2HE2      GLN  46   4.435   1.920  -5.933
  373    H    THR  47           H        THR  47   9.308  -1.799  -2.869
  374    HA   THR  47           HA       THR  47   9.929   0.813  -2.052
  375    HB   THR  47           HB       THR  47  11.708  -1.618  -1.763
  376    HG1  THR  47           1HG      THR  47   9.675  -2.083  -0.885
  377   1HG2  THR  47          1HG2      THR  47  11.495   0.932  -0.156
  378   2HG2  THR  47          2HG2      THR  47  12.832   0.476  -1.213
  379   3HG2  THR  47          3HG2      THR  47  12.511  -0.448   0.255
  380    H    MET  48           H        MET  48  11.453  -1.335  -4.409
  381    HA   MET  48           HA       MET  48  13.643   0.371  -4.999
  382   1HB   MET  48          2HB       MET  48  13.613  -2.045  -5.551
  383   2HB   MET  48          1HB       MET  48  12.363  -1.741  -6.749
  384   1HG   MET  48          2HG       MET  48  14.538  -1.956  -7.797
  385   2HG   MET  48          1HG       MET  48  13.896  -0.329  -8.011
  386   1HE   MET  48          1HE       MET  48  16.451  -2.591  -6.117
  387   2HE   MET  48          2HE       MET  48  15.590  -1.867  -4.760
  388   3HE   MET  48          3HE       MET  48  17.275  -1.444  -5.062
  389    H    LEU  49           H        LEU  49  10.394   0.004  -6.304
  390    HA   LEU  49           HA       LEU  49  10.613   1.831  -8.430
  391   1HB   LEU  49          2HB       LEU  49   8.472   0.467  -7.004
  392   2HB   LEU  49          1HB       LEU  49   8.004   2.066  -7.552
  393    HG   LEU  49           HG       LEU  49   8.617   1.449  -9.855
  394   1HD1  LEU  49          1HD1      LEU  49   9.091  -0.895 -10.391
  395   2HD1  LEU  49          2HD1      LEU  49   9.175  -1.260  -8.667
  396   3HD1  LEU  49          3HD1      LEU  49  10.352  -0.169  -9.398
  397   1HD2  LEU  49          1HD2      LEU  49   6.739  -0.518  -8.553
  398   2HD2  LEU  49          2HD2      LEU  49   6.768  -0.078 -10.260
  399   3HD2  LEU  49          3HD2      LEU  49   6.322   1.122  -9.048
  400    H    ILE  50           H        ILE  50   9.723   2.263  -5.037
  401    HA   ILE  50           HA       ILE  50   9.157   5.014  -5.124
  402    HB   ILE  50           HB       ILE  50  10.315   3.397  -2.844
  403   1HG1  ILE  50          2HG1      ILE  50   7.442   4.175  -3.361
  404   2HG1  ILE  50          1HG1      ILE  50   8.120   2.618  -3.818
  405   1HG2  ILE  50          1HG2      ILE  50  10.635   5.783  -2.483
  406   2HG2  ILE  50          2HG2      ILE  50   9.397   5.158  -1.392
  407   3HG2  ILE  50          3HG2      ILE  50   8.931   6.080  -2.821
  408   1HD1  ILE  50          1HD1      ILE  50   8.590   2.130  -1.487
  409   2HD1  ILE  50          2HD1      ILE  50   6.882   2.488  -1.732
  410   3HD1  ILE  50          3HD1      ILE  50   7.945   3.701  -1.019
  411    H    ASN  51           H        ASN  51  12.162   3.250  -4.592
  412    HA   ASN  51           HA       ASN  51  13.826   5.491  -4.154
  413   1HB   ASN  51          2HB       ASN  51  14.511   3.254  -3.494
  414   2HB   ASN  51          1HB       ASN  51  14.455   2.708  -5.166
  415   1HD2  ASN  51          1HD2      ASN  51  16.206   4.524  -2.800
  416   2HD2  ASN  51          2HD2      ASN  51  17.667   4.691  -3.706
  417    H    GLU  52           H        GLU  52  12.778   3.804  -7.040
  418    HA   GLU  52           HA       GLU  52  14.632   5.149  -8.763
  419   1HB   GLU  52          2HB       GLU  52  12.724   2.972  -8.970
  420   2HB   GLU  52          1HB       GLU  52  12.682   4.025 -10.377
  421   1HG   GLU  52          2HG       GLU  52  15.061   2.574  -9.251
  422   2HG   GLU  52          1HG       GLU  52  14.251   2.281 -10.792
  423    H    LYS  53           H        LYS  53  11.114   5.333  -8.246
  424    HA   LYS  53           HA       LYS  53  10.790   7.466 -10.130
  425   1HB   LYS  53          2HB       LYS  53   8.941   6.547  -7.918
  426   2HB   LYS  53          1HB       LYS  53   8.506   7.630  -9.234
  427   1HG   LYS  53          2HG       LYS  53   8.927   5.836 -10.847
  428   2HG   LYS  53          1HG       LYS  53   9.350   4.752  -9.519
  429   1HD   LYS  53          2HD       LYS  53   7.065   5.119  -8.586
  430   2HD   LYS  53          1HD       LYS  53   6.671   6.045 -10.036
  431   1HE   LYS  53          2HE       LYS  53   7.517   3.149  -9.961
  432   2HE   LYS  53          1HE       LYS  53   5.870   3.733 -10.186
  433   1HZ   LYS  53          1HZ       LYS  53   8.158   4.171 -12.031
  434   2HZ   LYS  53          2HZ       LYS  53   6.618   4.837 -12.235
  435   3HZ   LYS  53          3HZ       LYS  53   6.828   3.162 -12.295
  436    H    LYS  54           H        LYS  54  11.685   7.191  -6.843
  437    HA   LYS  54           HA       LYS  54  12.322   8.651  -5.249
  438   1HB   LYS  54          2HB       LYS  54  12.604  10.578  -7.562
  439   2HB   LYS  54          1HB       LYS  54  13.321  10.768  -5.966
  440   1HG   LYS  54          2HG       LYS  54  14.445   8.511  -6.410
  441   2HG   LYS  54          1HG       LYS  54  13.992   8.769  -8.093
  442   1HD   LYS  54          2HD       LYS  54  15.253  10.835  -8.148
  443   2HD   LYS  54          1HD       LYS  54  15.637  10.672  -6.431
  444   1HE   LYS  54          2HE       LYS  54  16.524   8.882  -8.686
  445   2HE   LYS  54          1HE       LYS  54  17.533   9.936  -7.700
  446   1HZ   LYS  54          1HZ       LYS  54  16.093   7.499  -6.789
  447   2HZ   LYS  54          2HZ       LYS  54  16.926   8.555  -5.762
  448   3HZ   LYS  54          3HZ       LYS  54  17.767   7.690  -6.947
  449    H    LEU  55           H        LEU  55   9.664   8.291  -5.489
  450    HA   LEU  55           HA       LEU  55   8.348  10.870  -5.425
  451   1HB   LEU  55          2HB       LEU  55   6.285   9.475  -5.095
  452   2HB   LEU  55          1HB       LEU  55   7.133   9.222  -6.604
  453    HG   LEU  55           HG       LEU  55   8.212   7.196  -5.351
  454   1HD1  LEU  55          1HD1      LEU  55   7.349   7.715  -3.137
  455   2HD1  LEU  55          2HD1      LEU  55   6.708   6.175  -3.711
  456   3HD1  LEU  55          3HD1      LEU  55   5.697   7.617  -3.746
  457   1HD2  LEU  55          1HD2      LEU  55   5.331   7.171  -6.234
  458   2HD2  LEU  55          2HD2      LEU  55   6.392   5.768  -6.110
  459   3HD2  LEU  55          3HD2      LEU  55   6.739   7.031  -7.290
  460    H    ASN  56           H        ASN  56   7.154  11.621  -3.630
  461    HA   ASN  56           HA       ASN  56   8.156  10.569  -1.075
  462   1HB   ASN  56          2HB       ASN  56   7.443  13.368  -1.915
  463   2HB   ASN  56          1HB       ASN  56   7.633  12.915  -0.225
  464   1HD2  ASN  56          1HD2      ASN  56   9.783  11.033  -0.746
  465   2HD2  ASN  56          2HD2      ASN  56  11.179  11.971  -1.138
  466    H    MET  57           H        MET  57   6.777   9.947   0.455
  467    HA   MET  57           HA       MET  57   3.964   9.836  -0.083
  468   1HB   MET  57          2HB       MET  57   5.616   9.106   2.334
  469   2HB   MET  57          1HB       MET  57   3.866   8.939   2.296
  470   1HG   MET  57          2HG       MET  57   4.880   6.822   1.828
  471   2HG   MET  57          1HG       MET  57   4.082   7.418   0.374
  472   1HE   MET  57          1HE       MET  57   7.072   5.524  -1.203
  473   2HE   MET  57          2HE       MET  57   5.325   5.763  -1.185
  474   3HE   MET  57          3HE       MET  57   6.129   5.032   0.205
  475    H    MET  58           H        MET  58   5.914  12.244   0.881
  476    HA   MET  58           HA       MET  58   4.463  13.610   2.862
  477   1HB   MET  58          2HB       MET  58   6.184  14.723   0.631
  478   2HB   MET  58          1HB       MET  58   5.678  15.604   2.063
  479   1HG   MET  58          2HG       MET  58   6.990  14.198   3.479
  480   2HG   MET  58          1HG       MET  58   7.359  13.117   2.137
  481   1HE   MET  58          1HE       MET  58   8.924  17.452   2.426
  482   2HE   MET  58          2HE       MET  58   7.842  16.719   3.610
  483   3HE   MET  58          3HE       MET  58   7.265  17.058   1.978
  484    H    ASN  59           H        ASN  59   4.098  13.289  -0.579
  485    HA   ASN  59           HA       ASN  59   1.864  15.189  -0.583
  486   1HB   ASN  59          2HB       ASN  59   3.450  13.942  -2.835
  487   2HB   ASN  59          1HB       ASN  59   1.977  14.866  -3.099
  488   1HD2  ASN  59          1HD2      ASN  59   2.984  16.444  -4.271
  489   2HD2  ASN  59          2HD2      ASN  59   4.066  17.595  -3.573
  490    H    ALA  60           H        ALA  60  -0.180  14.514  -0.808
  491    HA   ALA  60           HA       ALA  60  -0.850  11.870  -0.176
  492   1HB   ALA  60          1HB       ALA  60  -2.268  13.834   0.290
  493   2HB   ALA  60          2HB       ALA  60  -3.145  12.528  -0.504
  494   3HB   ALA  60          3HB       ALA  60  -2.642  13.941  -1.430
  495    H    GLU  61           H        GLU  61  -0.391  13.412  -3.257
  496    HA   GLU  61           HA       GLU  61  -1.819  11.664  -4.903
  497   1HB   GLU  61          2HB       GLU  61   0.734  13.159  -5.510
  498   2HB   GLU  61          1HB       GLU  61  -0.302  12.399  -6.712
  499   1HG   GLU  61          2HG       GLU  61  -0.941  14.740  -4.946
  500   2HG   GLU  61          1HG       GLU  61  -0.792  14.716  -6.700
  501    H    HIS  62           H        HIS  62   1.288  11.265  -3.342
  502    HA   HIS  62           HA       HIS  62   1.821   8.904  -4.973
  503   1HB   HIS  62          2HB       HIS  62   3.501  10.329  -2.917
  504   2HB   HIS  62          1HB       HIS  62   3.988   8.824  -3.698
  505    HD1  HIS  62           1HD      HIS  62   4.053   8.993  -6.439
  506    HD2  HIS  62           2HD      HIS  62   4.195  12.550  -4.298
  507    HE1  HIS  62           1HE      HIS  62   4.905  10.720  -8.054
  508    HE2  HIS  62           2HE      HIS  62   4.897  12.883  -6.762
  509    H    ARG  63           H        ARG  63   0.453   9.733  -1.975
  510    HA   ARG  63           HA       ARG  63   0.789   7.181  -0.729
  511   1HB   ARG  63          2HB       ARG  63   0.200   9.213   0.558
  512   2HB   ARG  63          1HB       ARG  63  -1.346   9.282  -0.276
  513   1HG   ARG  63          2HG       ARG  63  -1.650   8.336   1.913
  514   2HG   ARG  63          1HG       ARG  63  -1.936   7.093   0.692
  515   1HD   ARG  63          2HD       ARG  63   0.826   7.086   1.401
  516   2HD   ARG  63          1HD       ARG  63  -0.141   7.031   2.874
  517    HE   ARG  63           HE       ARG  63  -1.206   5.175   1.061
  518   1HH1  ARG  63          1HH1      ARG  63   1.710   5.677   2.956
  519   2HH1  ARG  63          2HH1      ARG  63   2.048   3.980   3.109
  520   1HH2  ARG  63          1HH2      ARG  63  -0.752   2.952   1.267
  521   2HH2  ARG  63          2HH2      ARG  63   0.653   2.443   2.166
  522    H    LYS  64           H        LYS  64  -1.854   8.754  -2.521
  523    HA   LYS  64           HA       LYS  64  -3.510   6.472  -2.677
  524   1HB   LYS  64          2HB       LYS  64  -4.692   7.656  -4.466
  525   2HB   LYS  64          1HB       LYS  64  -4.353   8.736  -3.122
  526   1HG   LYS  64          2HG       LYS  64  -2.431   9.636  -4.371
  527   2HG   LYS  64          1HG       LYS  64  -2.854   8.592  -5.726
  528   1HD   LYS  64          2HD       LYS  64  -3.679  10.854  -6.081
  529   2HD   LYS  64          1HD       LYS  64  -5.018   9.717  -5.920
  530   1HE   LYS  64          2HE       LYS  64  -5.522  10.467  -3.740
  531   2HE   LYS  64          1HE       LYS  64  -3.984  11.316  -3.594
  532   1HZ   LYS  64          1HZ       LYS  64  -6.040  12.080  -5.596
  533   2HZ   LYS  64          2HZ       LYS  64  -4.689  12.976  -5.077
  534   3HZ   LYS  64          3HZ       LYS  64  -5.999  12.732  -4.032
  535    H    LEU  65           H        LEU  65  -0.781   7.563  -4.561
  536    HA   LEU  65           HA       LEU  65  -1.060   5.778  -6.734
  537   1HB   LEU  65          2HB       LEU  65   0.649   7.810  -6.094
  538   2HB   LEU  65          1HB       LEU  65   1.683   6.414  -5.878
  539    HG   LEU  65           HG       LEU  65   1.978   7.310  -8.097
  540   1HD1  LEU  65          1HD1      LEU  65   0.407   4.744  -8.207
  541   2HD1  LEU  65          2HD1      LEU  65   2.131   4.895  -7.865
  542   3HD1  LEU  65          3HD1      LEU  65   1.505   5.346  -9.450
  543   1HD2  LEU  65          1HD2      LEU  65  -0.985   6.891  -8.471
  544   2HD2  LEU  65          2HD2      LEU  65   0.154   7.400  -9.718
  545   3HD2  LEU  65          3HD2      LEU  65  -0.161   8.443  -8.332
  546    H    LEU  66           H        LEU  66   0.679   5.528  -3.640
  547    HA   LEU  66           HA       LEU  66   1.802   2.984  -4.002
  548   1HB   LEU  66          2HB       LEU  66   2.167   4.755  -2.139
  549   2HB   LEU  66          1HB       LEU  66   0.800   3.998  -1.347
  550    HG   LEU  66           HG       LEU  66   3.281   2.468  -2.129
  551   1HD1  LEU  66          1HD1      LEU  66   3.976   2.691   0.208
  552   2HD1  LEU  66          2HD1      LEU  66   2.627   3.788   0.500
  553   3HD1  LEU  66          3HD1      LEU  66   3.916   4.250  -0.611
  554   1HD2  LEU  66          1HD2      LEU  66   1.070   1.883  -0.161
  555   2HD2  LEU  66          2HD2      LEU  66   2.492   0.878  -0.443
  556   3HD2  LEU  66          3HD2      LEU  66   1.300   1.102  -1.725
  557    H    GLU  67           H        GLU  67  -1.287   3.982  -2.559
  558    HA   GLU  67           HA       GLU  67  -2.386   1.494  -2.023
  559   1HB   GLU  67          2HB       GLU  67  -3.459   4.183  -2.601
  560   2HB   GLU  67          1HB       GLU  67  -4.570   2.859  -2.912
  561   1HG   GLU  67          2HG       GLU  67  -4.871   3.758  -0.680
  562   2HG   GLU  67          1HG       GLU  67  -4.327   2.084  -0.627
  563    H    GLN  68           H        GLN  68  -2.528   3.367  -5.032
  564    HA   GLN  68           HA       GLN  68  -4.070   1.620  -6.531
  565   1HB   GLN  68          2HB       GLN  68  -1.978   3.631  -7.270
  566   2HB   GLN  68          1HB       GLN  68  -2.733   2.637  -8.507
  567   1HG   GLN  68          2HG       GLN  68  -4.929   3.478  -7.833
  568   2HG   GLN  68          1HG       GLN  68  -4.159   4.486  -6.610
  569   1HE2  GLN  68          1HE2      GLN  68  -3.081   6.330  -7.223
  570   2HE2  GLN  68          2HE2      GLN  68  -3.169   6.984  -8.818
  571    H    GLU  69           H        GLU  69  -0.499   1.838  -6.581
  572    HA   GLU  69           HA       GLU  69  -0.152  -0.248  -8.416
  573   1HB   GLU  69          2HB       GLU  69   1.770   0.753  -6.308
  574   2HB   GLU  69          1HB       GLU  69   2.207  -0.264  -7.675
  575   1HG   GLU  69          2HG       GLU  69   1.427   1.529  -9.198
  576   2HG   GLU  69          1HG       GLU  69   1.136   2.547  -7.789
  577    H    MET  70           H        MET  70  -0.034  -0.308  -4.870
  578    HA   MET  70           HA       MET  70   0.777  -3.011  -4.688
  579   1HB   MET  70          2HB       MET  70   1.104  -1.435  -2.852
  580   2HB   MET  70          1HB       MET  70  -0.636  -1.303  -2.640
  581   1HG   MET  70          2HG       MET  70  -0.800  -3.560  -1.903
  582   2HG   MET  70          1HG       MET  70   0.870  -3.890  -2.356
  583   1HE   MET  70          1HE       MET  70   2.890  -1.886   0.302
  584   2HE   MET  70          2HE       MET  70   2.457  -1.404  -1.337
  585   3HE   MET  70          3HE       MET  70   2.976  -3.058  -1.013
  586    H    VAL  71           H        VAL  71  -2.446  -1.513  -4.456
  587    HA   VAL  71           HA       VAL  71  -3.736  -3.981  -3.891
  588    HB   VAL  71           HB       VAL  71  -4.953  -1.426  -4.957
  589   1HG1  VAL  71          1HG1      VAL  71  -6.280  -3.747  -3.556
  590   2HG1  VAL  71          2HG1      VAL  71  -6.387  -3.407  -5.282
  591   3HG1  VAL  71          3HG1      VAL  71  -7.064  -2.269  -4.118
  592   1HG2  VAL  71          1HG2      VAL  71  -3.786  -1.107  -2.830
  593   2HG2  VAL  71          2HG2      VAL  71  -4.709  -2.433  -2.123
  594   3HG2  VAL  71          3HG2      VAL  71  -5.532  -0.958  -2.635
  595    H    SER  72           H        SER  72  -2.803  -2.374  -6.859
  596    HA   SER  72           HA       SER  72  -4.484  -3.807  -8.624
  597   1HB   SER  72          2HB       SER  72  -1.821  -2.447  -9.010
  598   2HB   SER  72          1HB       SER  72  -2.632  -3.286 -10.327
  599    HG   SER  72           HG       SER  72  -3.916  -1.666 -10.535
  600    H    PHE  73           H        PHE  73  -1.216  -4.462  -7.419
  601    HA   PHE  73           HA       PHE  73  -0.907  -6.739  -9.163
  602   1HB   PHE  73          2HB       PHE  73   0.944  -5.160  -8.500
  603   2HB   PHE  73          1HB       PHE  73   0.884  -5.867  -6.891
  604    HD1  PHE  73           1HD      PHE  73   1.888  -7.971  -6.429
  605    HD2  PHE  73           2HD      PHE  73   1.661  -6.528 -10.427
  606    HE1  PHE  73           1HE      PHE  73   3.462  -9.719  -7.147
  607    HE2  PHE  73           2HE      PHE  73   3.232  -8.275 -11.151
  608    HZ   PHE  73           HZ       PHE  73   4.135  -9.874  -9.512
  609    H    LEU  74           H        LEU  74  -1.543  -6.195  -5.744
  610    HA   LEU  74           HA       LEU  74  -1.205  -9.030  -5.197
  611   1HB   LEU  74          2HB       LEU  74  -1.692  -6.680  -3.383
  612   2HB   LEU  74          1HB       LEU  74  -1.541  -8.332  -2.823
  613    HG   LEU  74           HG       LEU  74   0.624  -6.793  -4.262
  614   1HD1  LEU  74          1HD1      LEU  74   0.203  -5.892  -2.041
  615   2HD1  LEU  74          2HD1      LEU  74   1.740  -6.755  -2.087
  616   3HD1  LEU  74          3HD1      LEU  74   0.327  -7.509  -1.350
  617   1HD2  LEU  74          1HD2      LEU  74   0.780  -9.187  -4.661
  618   2HD2  LEU  74          2HD2      LEU  74   0.654  -9.501  -2.930
  619   3HD2  LEU  74          3HD2      LEU  74   2.064  -8.660  -3.571
  620    H    PHE  75           H        PHE  75  -3.797  -6.617  -5.200
  621    HA   PHE  75           HA       PHE  75  -5.604  -8.646  -4.078
  622   1HB   PHE  75          2HB       PHE  75  -5.250  -6.407  -2.912
  623   2HB   PHE  75          1HB       PHE  75  -6.136  -5.688  -4.248
  624    HD1  PHE  75           1HD      PHE  75  -6.416  -8.270  -1.599
  625    HD2  PHE  75           2HD      PHE  75  -8.449  -5.575  -4.188
  626    HE1  PHE  75           1HE      PHE  75  -8.533  -8.760  -0.442
  627    HE2  PHE  75           2HE      PHE  75 -10.567  -6.063  -3.041
  628    HZ   PHE  75           HZ       PHE  75 -10.611  -7.652  -1.167
  629    H    GLU  76           H        GLU  76  -5.373  -6.197  -6.622
  630    HA   GLU  76           HA       GLU  76  -6.344  -5.966  -8.648
  631   1HB   GLU  76          2HB       GLU  76  -7.194  -8.836  -8.263
  632   2HB   GLU  76          1HB       GLU  76  -7.290  -7.943  -9.774
  633   1HG   GLU  76          2HG       GLU  76  -4.826  -7.638  -9.665
  634   2HG   GLU  76          1HG       GLU  76  -4.807  -8.711  -8.270
  635    H    GLY  77           H        GLY  77  -7.920  -5.746  -6.000
  636   1HA   GLY  77          2HA       GLY  77 -10.643  -6.001  -7.055
  637   2HA   GLY  77          1HA       GLY  77 -10.217  -5.745  -5.372
  638    H    LYS  78           H        LYS  78  -8.703  -3.869  -7.843
  639    HA   LYS  78           HA       LYS  78 -10.418  -1.580  -7.184
  640   1HB   LYS  78          2HB       LYS  78  -8.341  -0.154  -7.385
  641   2HB   LYS  78          1HB       LYS  78  -8.418  -1.185  -5.964
  642   1HG   LYS  78          2HG       LYS  78  -6.294  -1.635  -6.572
  643   2HG   LYS  78          1HG       LYS  78  -7.099  -2.831  -7.586
  644   1HD   LYS  78          2HD       LYS  78  -5.574  -1.756  -9.006
  645   2HD   LYS  78          1HD       LYS  78  -7.139  -1.029  -9.386
  646   1HE   LYS  78          2HE       LYS  78  -6.623   0.938  -8.197
  647   2HE   LYS  78          1HE       LYS  78  -5.240   0.186  -7.403
  648   1HZ   LYS  78          1HZ       LYS  78  -4.158   0.034  -9.574
  649   2HZ   LYS  78          2HZ       LYS  78  -4.503   1.637  -9.151
  650   3HZ   LYS  78          3HZ       LYS  78  -5.466   0.843 -10.292
  651    H    ASP  79           H        ASP  79 -10.854  -0.153  -8.843
  652    HA   ASP  79           HA       ASP  79 -10.229  -1.195 -11.521
  653   1HB   ASP  79          2HB       ASP  79 -12.270  -0.079 -12.257
  654   2HB   ASP  79          1HB       ASP  79 -12.618  -1.134 -10.891
  655    H    VAL  80           H        VAL  80  -9.118   1.097  -9.507
  656    HA   VAL  80           HA       VAL  80  -9.174   3.439 -11.111
  657    HB   VAL  80           HB       VAL  80  -7.149   2.782  -8.967
  658   1HG1  VAL  80          1HG1      VAL  80  -6.571   4.713 -10.325
  659   2HG1  VAL  80          2HG1      VAL  80  -7.032   5.218  -8.700
  660   3HG1  VAL  80          3HG1      VAL  80  -8.162   5.415 -10.038
  661   1HG2  VAL  80          1HG2      VAL  80  -8.654   3.911  -7.396
  662   2HG2  VAL  80          2HG2      VAL  80  -9.392   2.462  -8.077
  663   3HG2  VAL  80          3HG2      VAL  80  -9.871   4.053  -8.667
  664    H    HIS  81           H        HIS  81  -8.327   3.375 -13.099
  665    HA   HIS  81           HA       HIS  81  -6.263   1.662 -13.925
  666   1HB   HIS  81          2HB       HIS  81  -6.255   2.969 -16.023
  667   2HB   HIS  81          1HB       HIS  81  -7.871   2.504 -15.522
  668    HD1  HIS  81           1HD      HIS  81  -6.058   5.308 -16.797
  669    HD2  HIS  81           2HD      HIS  81  -9.196   4.822 -14.099
  670    HE1  HIS  81           1HE      HIS  81  -7.208   7.541 -16.673
  671    HE2  HIS  81           2HE      HIS  81  -8.987   7.269 -14.916
  672    H    ILE  82           H        ILE  82  -4.151   1.752 -13.739
  673    HA   ILE  82           HA       ILE  82  -2.882   4.229 -12.822
  674    HB   ILE  82           HB       ILE  82  -1.613   1.497 -13.082
  675   1HG1  ILE  82          2HG1      ILE  82  -2.867   2.776 -10.646
  676   2HG1  ILE  82          1HG1      ILE  82  -3.502   1.386 -11.522
  677   1HG2  ILE  82          1HG2      ILE  82  -0.804   3.968 -11.554
  678   2HG2  ILE  82          2HG2      ILE  82  -0.018   3.323 -12.997
  679   3HG2  ILE  82          3HG2      ILE  82   0.024   2.412 -11.485
  680   1HD1  ILE  82          1HD1      ILE  82  -2.375   0.661  -9.523
  681   2HD1  ILE  82          2HD1      ILE  82  -0.910   1.517 -10.004
  682   3HD1  ILE  82          3HD1      ILE  82  -1.468   0.130 -10.940
  683    H    GLU  83           H        GLU  83  -1.553   5.383 -14.087
  684    HA   GLU  83           HA       GLU  83  -0.237   4.231 -16.375
  685   1HB   GLU  83          2HB       GLU  83  -1.261   5.977 -17.924
  686   2HB   GLU  83          1HB       GLU  83  -2.295   4.627 -17.472
  687   1HG   GLU  83          2HG       GLU  83  -3.123   6.213 -15.600
  688   2HG   GLU  83          1HG       GLU  83  -2.425   7.481 -16.609
  689    H    GLY  84           H        GLY  84   0.545   5.465 -13.934
  690   1HA   GLY  84          2HA       GLY  84   2.388   6.814 -13.426
  691   2HA   GLY  84          1HA       GLY  84   2.207   7.611 -14.985
  692    H    TYR  85           H        TYR  85   0.950   9.402 -15.166
  693    HA   TYR  85           HA       TYR  85  -0.389  10.329 -12.714
  694   1HB   TYR  85          2HB       TYR  85   1.207  11.894 -14.736
  695   2HB   TYR  85          1HB       TYR  85   0.082  12.669 -13.626
  696    HD1  TYR  85           1HD      TYR  85   0.471  12.403 -11.143
  697    HD2  TYR  85           2HD      TYR  85   3.390  11.339 -14.047
  698    HE1  TYR  85           1HE      TYR  85   2.214  12.489  -9.413
  699    HE2  TYR  85           2HE      TYR  85   5.143  11.423 -12.325
  700    HH   TYR  85           HH       TYR  85   5.483  12.574 -10.118
  701    H    THR  86           H        THR  86  -2.461   9.915 -13.103
  702    HA   THR  86           HA       THR  86  -3.557  10.712 -15.710
  703    HB   THR  86           HB       THR  86  -3.723   8.263 -15.131
  704    HG1  THR  86           1HG      THR  86  -5.237   8.677 -16.566
  705   1HG2  THR  86          1HG2      THR  86  -5.428   7.565 -13.514
  706   2HG2  THR  86          2HG2      THR  86  -5.676   9.248 -13.048
  707   3HG2  THR  86          3HG2      THR  86  -4.128   8.463 -12.732
  708    HA   PRO  87           HA       PRO  87  -5.772  13.947 -13.632
  709   1HB   PRO  87          2HB       PRO  87  -7.912  13.416 -15.621
  710   2HB   PRO  87          1HB       PRO  87  -7.055  14.919 -15.260
  711   1HG   PRO  87          2HG       PRO  87  -6.520  13.557 -17.481
  712   2HG   PRO  87          1HG       PRO  87  -5.224  14.341 -16.561
  713   1HD   PRO  87          2HD       PRO  87  -6.005  11.450 -16.650
  714   2HD   PRO  87          1HD       PRO  87  -4.387  12.182 -16.625
  715    H    GLU  88           H        GLU  88  -6.526  13.358 -11.694
  716    HA   GLU  88           HA       GLU  88  -8.621  11.383 -11.409
  717   1HB   GLU  88          2HB       GLU  88  -6.778  11.518  -9.778
  718   2HB   GLU  88          1HB       GLU  88  -7.269  13.151  -9.356
  719   1HG   GLU  88          2HG       GLU  88  -9.349  12.330  -8.452
  720   2HG   GLU  88          1HG       GLU  88  -8.956  10.690  -8.969
  721    H    ASP  89           H        ASP  89 -10.262  12.404 -12.591
  722    HA   ASP  89           HA       ASP  89 -11.178  15.024 -11.661
  723   1HB   ASP  89          2HB       ASP  89 -10.729  14.727 -14.072
  724   2HB   ASP  89          1HB       ASP  89 -11.960  13.470 -14.137
  725    H    LYS  90           H        LYS  90 -12.761  12.043 -12.822
  726    HA   LYS  90           HA       LYS  90 -15.213  12.677 -11.539
  727   1HB   LYS  90          2HB       LYS  90 -15.026  11.215 -13.551
  728   2HB   LYS  90          1HB       LYS  90 -14.288   9.980 -12.538
  729   1HG   LYS  90          2HG       LYS  90 -16.373  10.024 -11.137
  730   2HG   LYS  90          1HG       LYS  90 -17.093  11.055 -12.372
  731   1HD   LYS  90          2HD       LYS  90 -17.767   8.787 -12.779
  732   2HD   LYS  90          1HD       LYS  90 -16.627   9.264 -14.040
  733   1HE   LYS  90          2HE       LYS  90 -14.832   8.103 -12.888
  734   2HE   LYS  90          1HE       LYS  90 -15.927   7.681 -11.572
  735   1HZ   LYS  90          1HZ       LYS  90 -17.217   6.352 -13.091
  736   2HZ   LYS  90          2HZ       LYS  90 -15.600   5.857 -13.132
  737   3HZ   LYS  90          3HZ       LYS  90 -16.226   6.798 -14.387
  738    H    LYS  91           H        LYS  91 -15.548  12.628  -9.445
  739    HA   LYS  91           HA       LYS  91 -14.644  10.343  -7.886
  740   1HB   LYS  91          2HB       LYS  91 -12.886  12.145  -7.709
  741   2HB   LYS  91          1HB       LYS  91 -14.106  13.178  -6.983
  742   1HG   LYS  91          2HG       LYS  91 -12.868  12.286  -5.193
  743   2HG   LYS  91          1HG       LYS  91 -14.387  11.391  -5.218
  744   1HD   LYS  91          2HD       LYS  91 -12.657   9.797  -4.884
  745   2HD   LYS  91          1HD       LYS  91 -13.192   9.621  -6.555
  746   1HE   LYS  91          2HE       LYS  91 -11.304  10.980  -7.305
  747   2HE   LYS  91          1HE       LYS  91 -10.768  11.163  -5.637
  748   1HZ   LYS  91          1HZ       LYS  91 -10.543   8.707  -5.566
  749   2HZ   LYS  91          2HZ       LYS  91  -9.486   9.464  -6.651
  750   3HZ   LYS  91          3HZ       LYS  91 -10.864   8.662  -7.227
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1   4.520 -20.326  12.092
    2   2H    MET   1          2HT       MET   1   3.985 -20.813  13.619
    3   3H    MET   1          3HT       MET   1   3.187 -19.567  12.804
    4    HA   MET   1           HA       MET   1   3.340 -22.370  11.880
    5   1HB   MET   1          2HB       MET   1   1.171 -20.851  13.314
    6   2HB   MET   1          1HB       MET   1   0.830 -22.288  12.362
    7   1HG   MET   1          2HG       MET   1   2.367 -23.569  13.792
    8   2HG   MET   1          1HG       MET   1   2.624 -22.125  14.772
    9   1HE   MET   1          1HE       MET   1   2.010 -23.718  16.809
   10   2HE   MET   1          2HE       MET   1   1.529 -25.079  15.795
   11   3HE   MET   1          3HE       MET   1   0.434 -24.473  17.040
   12    H    SER   2           H        SER   2   1.308 -22.638  10.350
   13    HA   SER   2           HA       SER   2   1.219 -20.306   8.565
   14   1HB   SER   2          2HB       SER   2   1.413 -23.207   7.715
   15   2HB   SER   2          1HB       SER   2   1.308 -21.817   6.638
   16    HG   SER   2           HG       SER   2   3.311 -21.147   7.945
   17    H    ARG   3           H        ARG   3  -0.844 -19.583   8.736
   18    HA   ARG   3           HA       ARG   3  -3.030 -21.465   8.865
   19   1HB   ARG   3          2HB       ARG   3  -4.504 -19.530   8.847
   20   2HB   ARG   3          1HB       ARG   3  -3.215 -19.277  10.010
   21   1HG   ARG   3          2HG       ARG   3  -2.057 -17.844   8.371
   22   2HG   ARG   3          1HG       ARG   3  -3.412 -18.059   7.262
   23   1HD   ARG   3          2HD       ARG   3  -3.529 -16.813  10.004
   24   2HD   ARG   3          1HD       ARG   3  -3.592 -15.949   8.470
   25    HE   ARG   3           HE       ARG   3  -5.661 -17.823   8.475
   26   1HH1  ARG   3          1HH1      ARG   3  -4.733 -14.920  10.196
   27   2HH1  ARG   3          2HH1      ARG   3  -6.363 -14.472  10.587
   28   1HH2  ARG   3          1HH2      ARG   3  -7.807 -17.241   8.985
   29   2HH2  ARG   3          2HH2      ARG   3  -8.116 -15.810   9.915
   30    H    THR   4           H        THR   4  -3.785 -22.469   7.165
   31    HA   THR   4           HA       THR   4  -2.670 -21.879   4.591
   32    HB   THR   4           HB       THR   4  -4.744 -23.979   5.215
   33    HG1  THR   4           1HG      THR   4  -2.784 -24.028   6.587
   34   1HG2  THR   4          1HG2      THR   4  -3.682 -25.148   3.327
   35   2HG2  THR   4          2HG2      THR   4  -2.597 -23.777   3.099
   36   3HG2  THR   4          3HG2      THR   4  -4.331 -23.582   2.841
   37    H    ILE   5           H        ILE   5  -3.475 -20.318   3.420
   38    HA   ILE   5           HA       ILE   5  -6.398 -20.089   3.185
   39    HB   ILE   5           HB       ILE   5  -5.964 -17.621   2.704
   40   1HG1  ILE   5          2HG1      ILE   5  -3.883 -16.807   4.057
   41   2HG1  ILE   5          1HG1      ILE   5  -3.273 -18.433   3.784
   42   1HG2  ILE   5          1HG2      ILE   5  -7.036 -18.371   4.736
   43   2HG2  ILE   5          2HG2      ILE   5  -5.944 -17.031   5.091
   44   3HG2  ILE   5          3HG2      ILE   5  -5.470 -18.686   5.480
   45   1HD1  ILE   5          1HD1      ILE   5  -2.406 -16.861   2.148
   46   2HD1  ILE   5          2HD1      ILE   5  -4.048 -16.461   1.647
   47   3HD1  ILE   5          3HD1      ILE   5  -3.415 -18.083   1.373
   48    H    PHE   6           H        PHE   6  -7.078 -19.053   1.116
   49    HA   PHE   6           HA       PHE   6  -5.339 -19.954  -1.059
   50   1HB   PHE   6          2HB       PHE   6  -8.278 -19.232  -1.074
   51   2HB   PHE   6          1HB       PHE   6  -7.365 -19.745  -2.489
   52    HD1  PHE   6           1HD      PHE   6  -9.325 -20.805   0.275
   53    HD2  PHE   6           2HD      PHE   6  -6.222 -22.043  -2.363
   54    HE1  PHE   6           1HE      PHE   6  -9.789 -23.157   0.835
   55    HE2  PHE   6           2HE      PHE   6  -6.683 -24.394  -1.808
   56    HZ   PHE   6           HZ       PHE   6  -8.467 -24.956  -0.208
   57    H    CYS   7           H        CYS   7  -3.935 -18.384  -1.423
   58    HA   CYS   7           HA       CYS   7  -4.462 -15.634  -1.028
   59   1HB   CYS   7          2HB       CYS   7  -2.224 -15.329  -2.110
   60   2HB   CYS   7          1HB       CYS   7  -2.228 -16.461  -0.759
   61    HG   CYS   7           HG       CYS   7  -2.255 -18.747  -2.430
   62    H    THR   8           H        THR   8  -4.808 -13.981  -2.453
   63    HA   THR   8           HA       THR   8  -6.306 -14.605  -4.775
   64    HB   THR   8           HB       THR   8  -5.178 -11.897  -4.065
   65    HG1  THR   8           1HG      THR   8  -7.015 -11.686  -2.713
   66   1HG2  THR   8          1HG2      THR   8  -7.732 -12.762  -5.430
   67   2HG2  THR   8          2HG2      THR   8  -6.323 -12.060  -6.223
   68   3HG2  THR   8          3HG2      THR   8  -7.263 -11.097  -5.085
   69    H    TYR   9           H        TYR   9  -2.953 -13.860  -4.232
   70    HA   TYR   9           HA       TYR   9  -2.390 -13.015  -6.901
   71   1HB   TYR   9          2HB       TYR   9  -1.020 -12.324  -4.958
   72   2HB   TYR   9          1HB       TYR   9  -0.482 -13.987  -4.764
   73    HD1  TYR   9           1HD      TYR   9  -0.323 -11.034  -6.984
   74    HD2  TYR   9           2HD      TYR   9   1.282 -14.874  -6.101
   75    HE1  TYR   9           1HE      TYR   9   1.541 -10.610  -8.534
   76    HE2  TYR   9           2HE      TYR   9   3.145 -14.460  -7.645
   77    HH   TYR   9           HH       TYR   9   3.556 -13.017  -9.677
   78    H    LEU  10           H        LEU  10  -1.684 -16.041  -5.112
   79    HA   LEU  10           HA       LEU  10  -0.791 -17.283  -7.589
   80   1HB   LEU  10          2HB       LEU  10  -0.881 -18.352  -4.770
   81   2HB   LEU  10          1HB       LEU  10  -0.203 -19.202  -6.145
   82    HG   LEU  10           HG       LEU  10   0.833 -16.565  -5.102
   83   1HD1  LEU  10          1HD1      LEU  10   1.170 -18.333  -3.460
   84   2HD1  LEU  10          2HD1      LEU  10   2.700 -17.866  -4.204
   85   3HD1  LEU  10          3HD1      LEU  10   1.897 -19.357  -4.700
   86   1HD2  LEU  10          1HD2      LEU  10   1.290 -16.916  -7.466
   87   2HD2  LEU  10          2HD2      LEU  10   1.941 -18.518  -7.118
   88   3HD2  LEU  10          3HD2      LEU  10   2.771 -17.081  -6.522
   89    H    GLN  11           H        GLN  11  -3.617 -17.120  -5.674
   90    HA   GLN  11           HA       GLN  11  -5.701 -17.976  -5.931
   91   1HB   GLN  11          2HB       GLN  11  -4.514 -18.984  -8.507
   92   2HB   GLN  11          1HB       GLN  11  -6.171 -19.344  -8.045
   93   1HG   GLN  11          2HG       GLN  11  -5.030 -16.580  -8.387
   94   2HG   GLN  11          1HG       GLN  11  -5.986 -17.446  -9.589
   95   1HE2  GLN  11          1HE2      GLN  11  -6.041 -15.726  -6.588
   96   2HE2  GLN  11          2HE2      GLN  11  -7.761 -15.619  -6.446
   97    H    ARG  12           H        ARG  12  -3.184 -19.639  -4.981
   98    HA   ARG  12           HA       ARG  12  -4.726 -22.111  -4.616
   99   1HB   ARG  12          2HB       ARG  12  -1.753 -22.000  -5.175
  100   2HB   ARG  12          1HB       ARG  12  -2.697 -23.450  -4.853
  101   1HG   ARG  12          2HG       ARG  12  -4.025 -22.967  -6.899
  102   2HG   ARG  12          1HG       ARG  12  -2.923 -21.632  -7.243
  103   1HD   ARG  12          2HD       ARG  12  -1.045 -23.266  -7.229
  104   2HD   ARG  12          1HD       ARG  12  -2.233 -24.558  -7.052
  105    HE   ARG  12           HE       ARG  12  -2.321 -22.728  -9.352
  106   1HH1  ARG  12          1HH1      ARG  12  -2.107 -25.977  -8.056
  107   2HH1  ARG  12          2HH1      ARG  12  -2.258 -26.736  -9.607
  108   1HH2  ARG  12          1HH2      ARG  12  -2.519 -23.731 -11.389
  109   2HH2  ARG  12          2HH2      ARG  12  -2.487 -25.464 -11.502
  110    H    ASP  13           H        ASP  13  -3.030 -23.481  -2.971
  111    HA   ASP  13           HA       ASP  13  -3.607 -22.242  -0.503
  112   1HB   ASP  13          2HB       ASP  13  -2.606 -24.159   0.548
  113   2HB   ASP  13          1HB       ASP  13  -3.507 -24.715  -0.855
  114    H    ALA  14           H        ALA  14  -2.443 -21.098   0.865
  115    HA   ALA  14           HA       ALA  14   0.432 -20.980   0.739
  116   1HB   ALA  14          1HB       ALA  14  -1.174 -18.474   0.233
  117   2HB   ALA  14          2HB       ALA  14  -0.213 -19.330  -0.972
  118   3HB   ALA  14          3HB       ALA  14   0.577 -18.578   0.413
  119    H    GLU  15           H        GLU  15   1.066 -19.080   2.433
  120    HA   GLU  15           HA       GLU  15  -0.563 -19.705   4.798
  121   1HB   GLU  15          2HB       GLU  15   1.400 -19.328   6.132
  122   2HB   GLU  15          1HB       GLU  15   1.834 -20.407   4.816
  123   1HG   GLU  15          2HG       GLU  15   2.848 -18.561   3.606
  124   2HG   GLU  15          1HG       GLU  15   2.384 -17.455   4.897
  125    H    GLY  16           H        GLY  16  -1.013 -18.057   6.311
  126   1HA   GLY  16          2HA       GLY  16  -1.703 -15.543   5.281
  127   2HA   GLY  16          1HA       GLY  16  -1.573 -15.939   6.991
  128    H    GLN  17           H        GLN  17  -0.676 -13.653   5.102
  129    HA   GLN  17           HA       GLN  17   2.117 -13.528   5.050
  130   1HB   GLN  17          2HB       GLN  17   0.317 -12.020   3.929
  131   2HB   GLN  17          1HB       GLN  17   0.391 -11.093   5.417
  132   1HG   GLN  17          2HG       GLN  17   2.821 -11.680   3.754
  133   2HG   GLN  17          1HG       GLN  17   1.794 -10.276   3.484
  134   1HE2  GLN  17          1HE2      GLN  17   1.254  -9.837   6.294
  135   2HE2  GLN  17          2HE2      GLN  17   2.705  -9.193   6.975
  136    H    ASP  18           H        ASP  18  -0.204 -12.449   7.485
  137    HA   ASP  18           HA       ASP  18   1.458 -12.940   9.673
  138   1HB   ASP  18          2HB       ASP  18   2.502 -10.783   8.560
  139   2HB   ASP  18          1HB       ASP  18   1.154  -9.970   9.352
  140    H    PHE  19           H        PHE  19   0.466 -10.987  11.452
  141    HA   PHE  19           HA       PHE  19  -2.419 -11.585  11.336
  142   1HB   PHE  19          2HB       PHE  19  -0.535 -12.268  13.297
  143   2HB   PHE  19          1HB       PHE  19  -1.438 -10.918  13.981
  144    HD1  PHE  19           1HD      PHE  19  -3.513 -11.289  14.966
  145    HD2  PHE  19           2HD      PHE  19  -1.901 -14.210  12.326
  146    HE1  PHE  19           1HE      PHE  19  -5.350 -12.821  15.547
  147    HE2  PHE  19           2HE      PHE  19  -3.730 -15.748  12.905
  148    HZ   PHE  19           HZ       PHE  19  -5.458 -15.056  14.516
  149    H    GLN  20           H        GLN  20  -3.358  -9.932  13.266
  150    HA   GLN  20           HA       GLN  20  -3.188  -7.384  11.947
  151   1HB   GLN  20          2HB       GLN  20  -4.779  -8.309  14.342
  152   2HB   GLN  20          1HB       GLN  20  -4.913  -6.708  13.626
  153   1HG   GLN  20          2HG       GLN  20  -5.467  -9.298  12.197
  154   2HG   GLN  20          1HG       GLN  20  -6.686  -8.225  12.885
  155   1HE2  GLN  20          1HE2      GLN  20  -7.138  -6.285  11.880
  156   2HE2  GLN  20          2HE2      GLN  20  -6.602  -5.919  10.281
  157    H    LEU  21           H        LEU  21  -1.169  -6.562  12.323
  158    HA   LEU  21           HA       LEU  21  -0.190  -6.265  15.031
  159   1HB   LEU  21          2HB       LEU  21   1.014  -4.888  12.652
  160   2HB   LEU  21          1HB       LEU  21   1.799  -5.438  14.116
  161    HG   LEU  21           HG       LEU  21   0.986  -7.803  13.069
  162   1HD1  LEU  21          1HD1      LEU  21   1.507  -7.781  10.680
  163   2HD1  LEU  21          2HD1      LEU  21   1.689  -6.028  10.737
  164   3HD1  LEU  21          3HD1      LEU  21   0.115  -6.761  11.045
  165   1HD2  LEU  21          1HD2      LEU  21   3.548  -6.333  12.476
  166   2HD2  LEU  21          2HD2      LEU  21   3.306  -8.075  12.347
  167   3HD2  LEU  21          3HD2      LEU  21   3.205  -7.284  13.921
  168    H    TYR  22           H        TYR  22  -1.054  -4.063  12.374
  169    HA   TYR  22           HA       TYR  22  -1.849  -2.071  14.361
  170   1HB   TYR  22          2HB       TYR  22  -0.062  -1.527  11.987
  171   2HB   TYR  22          1HB       TYR  22  -0.815  -0.276  12.963
  172    HD1  TYR  22           1HD      TYR  22   1.883  -2.693  12.742
  173    HD2  TYR  22           2HD      TYR  22  -0.121   0.037  15.315
  174    HE1  TYR  22           1HE      TYR  22   3.793  -2.761  14.288
  175    HE2  TYR  22           2HE      TYR  22   1.782  -0.023  16.867
  176    HH   TYR  22           HH       TYR  22   4.781  -1.563  16.048
  177    HA   PRO  23           HA       PRO  23  -4.129  -1.057  10.192
  178   1HB   PRO  23          2HB       PRO  23  -3.887  -3.563   8.660
  179   2HB   PRO  23          1HB       PRO  23  -3.689  -1.895   8.119
  180   1HG   PRO  23          2HG       PRO  23  -1.585  -3.527   8.370
  181   2HG   PRO  23          1HG       PRO  23  -1.472  -1.804   8.782
  182   1HD   PRO  23          2HD       PRO  23  -1.804  -4.168  10.600
  183   2HD   PRO  23          1HD       PRO  23  -0.739  -2.758  10.772
  184    H    GLY  24           H        GLY  24  -6.285  -1.737   9.435
  185   1HA   GLY  24          2HA       GLY  24  -7.425  -3.696  11.323
  186   2HA   GLY  24          1HA       GLY  24  -8.262  -2.264  10.748
  187    H    GLU  25           H        GLU  25  -9.528  -2.415   9.011
  188    HA   GLU  25           HA       GLU  25 -10.370  -4.952   8.181
  189   1HB   GLU  25          2HB       GLU  25 -11.797  -3.740   6.584
  190   2HB   GLU  25          1HB       GLU  25 -11.856  -3.034   8.193
  191   1HG   GLU  25          2HG       GLU  25 -10.253  -1.310   7.449
  192   2HG   GLU  25          1HG       GLU  25 -10.323  -1.992   5.826
  193    H    LEU  26           H        LEU  26  -8.325  -2.561   6.552
  194    HA   LEU  26           HA       LEU  26  -8.067  -4.078   4.155
  195   1HB   LEU  26          2HB       LEU  26  -7.673  -1.641   4.246
  196   2HB   LEU  26          1HB       LEU  26  -6.271  -1.914   5.262
  197    HG   LEU  26           HG       LEU  26  -5.202  -3.161   3.408
  198   1HD1  LEU  26          1HD1      LEU  26  -6.174  -2.941   1.148
  199   2HD1  LEU  26          2HD1      LEU  26  -7.641  -2.284   1.873
  200   3HD1  LEU  26          3HD1      LEU  26  -7.149  -3.939   2.229
  201   1HD2  LEU  26          1HD2      LEU  26  -4.742  -0.784   3.748
  202   2HD2  LEU  26          2HD2      LEU  26  -6.096  -0.372   2.696
  203   3HD2  LEU  26          3HD2      LEU  26  -4.692  -1.212   2.038
  204    H    GLY  27           H        GLY  27  -6.387  -3.909   7.196
  205   1HA   GLY  27          2HA       GLY  27  -4.028  -5.259   6.529
  206   2HA   GLY  27          1HA       GLY  27  -4.757  -5.215   8.126
  207    H    LYS  28           H        LYS  28  -6.949  -6.589   8.063
  208    HA   LYS  28           HA       LYS  28  -6.058  -9.238   8.004
  209   1HB   LYS  28          2HB       LYS  28  -8.403  -9.872   8.439
  210   2HB   LYS  28          1HB       LYS  28  -7.865  -8.565   9.483
  211   1HG   LYS  28          2HG       LYS  28  -9.064  -6.951   8.157
  212   2HG   LYS  28          1HG       LYS  28  -9.499  -8.192   6.981
  213   1HD   LYS  28          2HD       LYS  28 -10.775  -9.370   8.718
  214   2HD   LYS  28          1HD       LYS  28 -10.362  -8.099   9.871
  215   1HE   LYS  28          2HE       LYS  28 -11.529  -6.460   8.498
  216   2HE   LYS  28          1HE       LYS  28 -11.903  -7.703   7.308
  217   1HZ   LYS  28          1HZ       LYS  28 -13.755  -7.212   8.826
  218   2HZ   LYS  28          2HZ       LYS  28 -12.821  -7.754  10.129
  219   3HZ   LYS  28          3HZ       LYS  28 -13.264  -8.826   8.900
  220    H    ARG  29           H        ARG  29  -7.910  -7.357   5.686
  221    HA   ARG  29           HA       ARG  29  -8.711  -9.381   3.953
  222   1HB   ARG  29          2HB       ARG  29  -9.455  -7.028   3.789
  223   2HB   ARG  29          1HB       ARG  29  -7.852  -6.569   3.234
  224   1HG   ARG  29          2HG       ARG  29  -8.152  -8.005   1.254
  225   2HG   ARG  29          1HG       ARG  29  -9.781  -8.394   1.809
  226   1HD   ARG  29          2HD       ARG  29 -10.370  -6.012   1.693
  227   2HD   ARG  29          1HD       ARG  29  -8.750  -5.647   1.100
  228    HE   ARG  29           HE       ARG  29  -9.784  -7.560  -0.600
  229   1HH1  ARG  29          1HH1      ARG  29 -10.631  -4.296   0.360
  230   2HH1  ARG  29          2HH1      ARG  29 -11.397  -3.916  -1.147
  231   1HH2  ARG  29          1HH2      ARG  29 -10.793  -7.065  -2.573
  232   2HH2  ARG  29          2HH2      ARG  29 -11.480  -5.491  -2.824
  233    H    ILE  30           H        ILE  30  -5.717  -7.465   3.949
  234    HA   ILE  30           HA       ILE  30  -4.637  -8.834   1.690
  235    HB   ILE  30           HB       ILE  30  -3.245  -7.110   3.742
  236   1HG1  ILE  30          2HG1      ILE  30  -4.215  -6.421   0.963
  237   2HG1  ILE  30          1HG1      ILE  30  -5.071  -6.004   2.444
  238   1HG2  ILE  30          1HG2      ILE  30  -2.333  -8.090   1.042
  239   2HG2  ILE  30          2HG2      ILE  30  -1.656  -8.534   2.609
  240   3HG2  ILE  30          3HG2      ILE  30  -1.496  -6.883   2.013
  241   1HD1  ILE  30          1HD1      ILE  30  -3.195  -4.636   3.153
  242   2HD1  ILE  30          2HD1      ILE  30  -3.801  -4.123   1.578
  243   3HD1  ILE  30          3HD1      ILE  30  -2.315  -5.068   1.687
  244    H    TYR  31           H        TYR  31  -4.120  -9.062   5.198
  245    HA   TYR  31           HA       TYR  31  -1.897 -10.774   5.028
  246   1HB   TYR  31          2HB       TYR  31  -3.834 -10.309   7.291
  247   2HB   TYR  31          1HB       TYR  31  -2.361 -11.256   7.444
  248    HD1  TYR  31           1HD      TYR  31  -0.706  -9.386   5.576
  249    HD2  TYR  31           2HD      TYR  31  -3.209  -8.674   8.943
  250    HE1  TYR  31           1HE      TYR  31   0.565  -7.348   6.081
  251    HE2  TYR  31           2HE      TYR  31  -1.940  -6.630   9.454
  252    HH   TYR  31           HH       TYR  31   0.320  -5.704   9.018
  253    H    ASN  32           H        ASN  32  -5.321 -11.506   4.880
  254    HA   ASN  32           HA       ASN  32  -4.635 -14.355   5.096
  255   1HB   ASN  32          2HB       ASN  32  -6.785 -14.853   5.766
  256   2HB   ASN  32          1HB       ASN  32  -6.555 -13.263   6.470
  257   1HD2  ASN  32          1HD2      ASN  32  -6.978 -11.769   4.045
  258   2HD2  ASN  32          2HD2      ASN  32  -8.653 -11.905   3.667
  259    H    GLU  33           H        GLU  33  -4.865 -12.144   2.711
  260    HA   GLU  33           HA       GLU  33  -5.751 -14.192   0.787
  261   1HB   GLU  33          2HB       GLU  33  -6.125 -11.201   0.704
  262   2HB   GLU  33          1HB       GLU  33  -6.270 -12.199  -0.737
  263   1HG   GLU  33          2HG       GLU  33  -8.084 -13.448   0.281
  264   2HG   GLU  33          1HG       GLU  33  -7.912 -12.517   1.767
  265    H    ILE  34           H        ILE  34  -3.137 -12.589   1.957
  266    HA   ILE  34           HA       ILE  34  -1.658 -12.974  -0.546
  267    HB   ILE  34           HB       ILE  34  -1.701 -10.595   1.250
  268   1HG1  ILE  34          2HG1      ILE  34  -2.880 -10.575  -0.898
  269   2HG1  ILE  34          1HG1      ILE  34  -1.559  -9.409  -0.889
  270   1HG2  ILE  34          1HG2      ILE  34   0.729 -11.393  -0.344
  271   2HG2  ILE  34          2HG2      ILE  34   0.622 -11.301   1.414
  272   3HG2  ILE  34          3HG2      ILE  34   0.479  -9.836   0.442
  273   1HD1  ILE  34          1HD1      ILE  34  -1.619 -12.094  -2.241
  274   2HD1  ILE  34          2HD1      ILE  34  -0.167 -11.111  -2.079
  275   3HD1  ILE  34          3HD1      ILE  34  -1.547 -10.504  -2.998
  276    H    SER  35           H        SER  35   0.253 -13.955  -0.404
  277    HA   SER  35           HA       SER  35   0.899 -15.198   2.147
  278   1HB   SER  35          2HB       SER  35   0.609 -16.648   0.193
  279   2HB   SER  35          1HB       SER  35   1.869 -15.761  -0.667
  280    HG   SER  35           HG       SER  35   3.138 -17.204   0.162
  281    H    LYS  36           H        LYS  36   3.255 -15.576   2.506
  282    HA   LYS  36           HA       LYS  36   4.645 -13.244   3.044
  283   1HB   LYS  36          2HB       LYS  36   5.775 -16.009   2.565
  284   2HB   LYS  36          1HB       LYS  36   6.618 -14.696   3.367
  285   1HG   LYS  36          2HG       LYS  36   4.036 -15.845   4.380
  286   2HG   LYS  36          1HG       LYS  36   5.624 -16.446   4.863
  287   1HD   LYS  36          2HD       LYS  36   6.179 -14.133   5.619
  288   2HD   LYS  36          1HD       LYS  36   4.508 -13.677   5.283
  289   1HE   LYS  36          2HE       LYS  36   4.843 -14.199   7.651
  290   2HE   LYS  36          1HE       LYS  36   3.711 -15.316   6.888
  291   1HZ   LYS  36          1HZ       LYS  36   5.399 -16.350   8.385
  292   2HZ   LYS  36          2HZ       LYS  36   6.586 -15.935   7.251
  293   3HZ   LYS  36          3HZ       LYS  36   5.338 -17.002   6.825
  294    H    ASP  37           H        ASP  37   4.912 -15.431   0.293
  295    HA   ASP  37           HA       ASP  37   7.166 -14.179  -0.880
  296   1HB   ASP  37          2HB       ASP  37   6.464 -15.516  -2.920
  297   2HB   ASP  37          1HB       ASP  37   6.770 -16.442  -1.454
  298    H    ALA  38           H        ALA  38   3.697 -14.014  -1.639
  299    HA   ALA  38           HA       ALA  38   3.880 -12.258  -3.799
  300   1HB   ALA  38          1HB       ALA  38   1.616 -12.499  -1.824
  301   2HB   ALA  38          2HB       ALA  38   1.860 -13.539  -3.226
  302   3HB   ALA  38          3HB       ALA  38   1.518 -11.823  -3.450
  303    H    TRP  39           H        TRP  39   3.557 -11.602  -0.330
  304    HA   TRP  39           HA       TRP  39   3.384  -8.783  -0.553
  305   1HB   TRP  39          2HB       TRP  39   2.717  -9.989   1.486
  306   2HB   TRP  39          1HB       TRP  39   4.386 -10.480   1.749
  307    HD1  TRP  39           HD       TRP  39   6.063  -8.669   2.728
  308    HE1  TRP  39           1HE      TRP  39   5.694  -6.403   3.889
  309    HE3  TRP  39           3HE      TRP  39   1.160  -7.915   1.487
  310    HZ2  TRP  39           2HZ      TRP  39   3.603  -4.551   4.247
  311    HZ3  TRP  39           3HZ      TRP  39   0.054  -5.862   2.279
  312    HH2  TRP  39           HH       TRP  39   1.246  -4.221   3.628
  313    H    ALA  40           H        ALA  40   6.083 -11.020  -0.095
  314    HA   ALA  40           HA       ALA  40   8.136  -9.147   0.258
  315   1HB   ALA  40          1HB       ALA  40   9.654 -10.945  -0.460
  316   2HB   ALA  40          2HB       ALA  40   8.265 -11.888  -0.997
  317   3HB   ALA  40          3HB       ALA  40   8.464 -11.507   0.713
  318    H    GLN  41           H        GLN  41   6.912 -10.691  -2.694
  319    HA   GLN  41           HA       GLN  41   8.642  -9.508  -4.537
  320   1HB   GLN  41          2HB       GLN  41   5.736 -10.262  -4.881
  321   2HB   GLN  41          1HB       GLN  41   6.834  -9.885  -6.199
  322   1HG   GLN  41          2HG       GLN  41   8.199 -11.807  -5.656
  323   2HG   GLN  41          1HG       GLN  41   7.175 -12.159  -4.262
  324   1HE2  GLN  41          1HE2      GLN  41   5.903 -11.007  -7.290
  325   2HE2  GLN  41          2HE2      GLN  41   5.102 -12.470  -7.742
  326    H    TRP  42           H        TRP  42   5.544  -8.378  -3.258
  327    HA   TRP  42           HA       TRP  42   5.298  -6.128  -4.913
  328   1HB   TRP  42          2HB       TRP  42   3.356  -6.944  -3.789
  329   2HB   TRP  42          1HB       TRP  42   4.117  -6.771  -2.212
  330    HD1  TRP  42           HD       TRP  42   2.617  -5.044  -1.058
  331    HE1  TRP  42           1HE      TRP  42   1.894  -2.628  -1.553
  332    HE3  TRP  42           3HE      TRP  42   4.439  -4.593  -5.820
  333    HZ2  TRP  42           2HZ      TRP  42   2.064  -0.780  -3.672
  334    HZ3  TRP  42           3HZ      TRP  42   4.116  -2.467  -7.007
  335    HH2  TRP  42           HH       TRP  42   2.954  -0.599  -5.952
  336    H    GLN  43           H        GLN  43   6.346  -6.241  -1.479
  337    HA   GLN  43           HA       GLN  43   6.956  -3.480  -1.426
  338   1HB   GLN  43          2HB       GLN  43   7.813  -5.734   0.374
  339   2HB   GLN  43          1HB       GLN  43   8.229  -4.050   0.671
  340   1HG   GLN  43          2HG       GLN  43   5.535  -3.892   0.297
  341   2HG   GLN  43          1HG       GLN  43   5.703  -5.468   1.076
  342   1HE2  GLN  43          1HE2      GLN  43   6.104  -2.044   1.406
  343   2HE2  GLN  43          2HE2      GLN  43   6.362  -2.030   3.114
  344    H    HIS  44           H        HIS  44   8.845  -6.287  -2.323
  345    HA   HIS  44           HA       HIS  44  11.388  -5.034  -2.271
  346   1HB   HIS  44          2HB       HIS  44  10.860  -7.538  -2.455
  347   2HB   HIS  44          1HB       HIS  44  10.592  -7.237  -4.169
  348    HD1  HIS  44           1HD      HIS  44  12.589  -7.477  -5.604
  349    HD2  HIS  44           2HD      HIS  44  13.596  -6.726  -1.647
  350    HE1  HIS  44           1HE      HIS  44  15.090  -7.666  -5.500
  351    HE2  HIS  44           2HE      HIS  44  15.655  -7.384  -3.062
  352    H    LYS  45           H        LYS  45   9.042  -5.593  -4.877
  353    HA   LYS  45           HA       LYS  45  10.384  -4.188  -6.907
  354   1HB   LYS  45          2HB       LYS  45   8.551  -5.666  -7.435
  355   2HB   LYS  45          1HB       LYS  45   7.446  -4.728  -6.444
  356   1HG   LYS  45          2HG       LYS  45   6.985  -4.232  -8.725
  357   2HG   LYS  45          1HG       LYS  45   7.762  -2.822  -8.006
  358   1HD   LYS  45          2HD       LYS  45   8.705  -3.172 -10.180
  359   2HD   LYS  45          1HD       LYS  45   9.922  -3.597  -8.976
  360   1HE   LYS  45          2HE       LYS  45   9.492  -5.943  -9.293
  361   2HE   LYS  45          1HE       LYS  45   8.125  -5.590 -10.349
  362   1HZ   LYS  45          1HZ       LYS  45  10.097  -6.203 -11.606
  363   2HZ   LYS  45          2HZ       LYS  45  10.958  -4.915 -10.926
  364   3HZ   LYS  45          3HZ       LYS  45   9.638  -4.609 -11.940
  365    H    GLN  46           H        GLN  46   7.966  -3.176  -4.541
  366    HA   GLN  46           HA       GLN  46   7.614  -0.533  -5.347
  367   1HB   GLN  46          2HB       GLN  46   6.130  -1.569  -3.756
  368   2HB   GLN  46          1HB       GLN  46   7.441  -1.796  -2.610
  369   1HG   GLN  46          2HG       GLN  46   7.594   0.559  -2.227
  370   2HG   GLN  46          1HG       GLN  46   6.437   0.888  -3.515
  371   1HE2  GLN  46          1HE2      GLN  46   4.282   0.515  -3.175
  372   2HE2  GLN  46          2HE2      GLN  46   3.616   0.265  -1.602
  373    H    THR  47           H        THR  47   9.887  -1.854  -2.943
  374    HA   THR  47           HA       THR  47  11.123   0.487  -2.147
  375    HB   THR  47           HB       THR  47  12.376  -2.242  -2.527
  376    HG1  THR  47           1HG      THR  47  10.905  -2.537  -0.971
  377   1HG2  THR  47          1HG2      THR  47  14.096  -0.504  -2.358
  378   2HG2  THR  47          2HG2      THR  47  14.061  -1.502  -0.904
  379   3HG2  THR  47          3HG2      THR  47  13.340   0.107  -0.887
  380    H    MET  48           H        MET  48  11.881  -1.566  -4.938
  381    HA   MET  48           HA       MET  48  14.135  -0.122  -5.808
  382   1HB   MET  48          2HB       MET  48  13.715  -2.375  -6.609
  383   2HB   MET  48          1HB       MET  48  12.217  -1.859  -7.371
  384   1HG   MET  48          2HG       MET  48  14.054  -2.162  -8.975
  385   2HG   MET  48          1HG       MET  48  13.418  -0.519  -8.962
  386   1HE   MET  48          1HE       MET  48  15.848  -2.223  -6.371
  387   2HE   MET  48          2HE       MET  48  17.421  -1.751  -7.014
  388   3HE   MET  48          3HE       MET  48  16.396  -2.864  -7.919
  389    H    LEU  49           H        LEU  49  10.727   0.058  -6.838
  390    HA   LEU  49           HA       LEU  49  11.172   2.048  -8.793
  391   1HB   LEU  49          2HB       LEU  49   8.795   0.889  -7.450
  392   2HB   LEU  49          1HB       LEU  49   8.588   2.419  -8.280
  393    HG   LEU  49           HG       LEU  49   9.353   1.414 -10.374
  394   1HD1  LEU  49          1HD1      LEU  49   9.576  -1.128  -8.778
  395   2HD1  LEU  49          2HD1      LEU  49  10.902  -0.228  -9.515
  396   3HD1  LEU  49          3HD1      LEU  49   9.693  -1.008 -10.533
  397   1HD2  LEU  49          1HD2      LEU  49   6.975   1.351  -9.832
  398   2HD2  LEU  49          2HD2      LEU  49   7.196  -0.204  -9.029
  399   3HD2  LEU  49          3HD2      LEU  49   7.459  -0.065 -10.767
  400    H    ILE  50           H        ILE  50  10.336   2.248  -5.378
  401    HA   ILE  50           HA       ILE  50   9.712   5.001  -5.346
  402    HB   ILE  50           HB       ILE  50  10.263   2.940  -3.298
  403   1HG1  ILE  50          2HG1      ILE  50   8.224   3.872  -2.313
  404   2HG1  ILE  50          1HG1      ILE  50   8.252   5.194  -3.471
  405   1HG2  ILE  50          1HG2      ILE  50  10.394   4.585  -1.460
  406   2HG2  ILE  50          2HG2      ILE  50  10.586   5.868  -2.654
  407   3HG2  ILE  50          3HG2      ILE  50  11.816   4.614  -2.507
  408   1HD1  ILE  50          1HD1      ILE  50   7.888   3.612  -5.286
  409   2HD1  ILE  50          2HD1      ILE  50   6.614   3.508  -4.070
  410   3HD1  ILE  50          3HD1      ILE  50   7.881   2.283  -4.128
  411    H    ASN  51           H        ASN  51  12.761   3.274  -5.067
  412    HA   ASN  51           HA       ASN  51  14.210   5.716  -4.453
  413   1HB   ASN  51          2HB       ASN  51  15.050   2.845  -4.806
  414   2HB   ASN  51          1HB       ASN  51  16.235   4.144  -4.709
  415   1HD2  ASN  51          1HD2      ASN  51  13.840   2.308  -2.986
  416   2HD2  ASN  51          2HD2      ASN  51  14.275   2.858  -1.402
  417    H    GLU  52           H        GLU  52  13.357   3.823  -7.191
  418    HA   GLU  52           HA       GLU  52  15.347   4.856  -8.973
  419   1HB   GLU  52          2HB       GLU  52  14.258   2.696  -9.365
  420   2HB   GLU  52          1HB       GLU  52  12.704   3.497  -9.516
  421   1HG   GLU  52          2HG       GLU  52  13.570   4.706 -11.485
  422   2HG   GLU  52          1HG       GLU  52  15.058   3.768 -11.362
  423    H    LYS  53           H        LYS  53  11.848   5.394  -8.628
  424    HA   LYS  53           HA       LYS  53  11.915   7.569 -10.529
  425   1HB   LYS  53          2HB       LYS  53   9.630   6.548  -8.836
  426   2HB   LYS  53          1HB       LYS  53   9.497   7.640 -10.207
  427   1HG   LYS  53          2HG       LYS  53  10.224   5.909 -11.714
  428   2HG   LYS  53          1HG       LYS  53  10.516   4.810 -10.360
  429   1HD   LYS  53          2HD       LYS  53   8.113   4.933  -9.795
  430   2HD   LYS  53          1HD       LYS  53   7.851   5.953 -11.211
  431   1HE   LYS  53          2HE       LYS  53   8.956   3.146 -11.277
  432   2HE   LYS  53          1HE       LYS  53   7.277   3.575 -11.597
  433   1HZ   LYS  53          1HZ       LYS  53   7.976   4.861 -13.493
  434   2HZ   LYS  53          2HZ       LYS  53   8.584   3.290 -13.630
  435   3HZ   LYS  53          3HZ       LYS  53   9.604   4.553 -13.159
  436    H    LYS  54           H        LYS  54  12.533   7.272  -7.285
  437    HA   LYS  54           HA       LYS  54  12.817   8.717  -5.562
  438   1HB   LYS  54          2HB       LYS  54  12.618  10.819  -7.725
  439   2HB   LYS  54          1HB       LYS  54  13.212  11.090  -6.093
  440   1HG   LYS  54          2HG       LYS  54  15.119   9.734  -6.463
  441   2HG   LYS  54          1HG       LYS  54  14.471   9.126  -7.989
  442   1HD   LYS  54          2HD       LYS  54  15.188  12.007  -7.457
  443   2HD   LYS  54          1HD       LYS  54  16.242  10.847  -8.268
  444   1HE   LYS  54          2HE       LYS  54  14.569  10.541 -10.020
  445   2HE   LYS  54          1HE       LYS  54  13.494  11.670  -9.199
  446   1HZ   LYS  54          1HZ       LYS  54  14.686  12.711 -11.025
  447   2HZ   LYS  54          2HZ       LYS  54  16.165  12.339 -10.294
  448   3HZ   LYS  54          3HZ       LYS  54  15.103  13.417  -9.545
  449    H    LEU  55           H        LEU  55  10.597   7.854  -5.096
  450    HA   LEU  55           HA       LEU  55   8.530   9.932  -5.269
  451   1HB   LEU  55          2HB       LEU  55   8.205   7.030  -4.497
  452   2HB   LEU  55          1HB       LEU  55   6.921   8.182  -4.803
  453    HG   LEU  55           HG       LEU  55   8.840   7.049  -6.835
  454   1HD1  LEU  55          1HD1      LEU  55   6.842   6.029  -7.784
  455   2HD1  LEU  55          2HD1      LEU  55   5.863   6.724  -6.492
  456   3HD1  LEU  55          3HD1      LEU  55   7.086   5.510  -6.117
  457   1HD2  LEU  55          1HD2      LEU  55   6.627   9.070  -7.186
  458   2HD2  LEU  55          2HD2      LEU  55   7.524   8.298  -8.492
  459   3HD2  LEU  55          3HD2      LEU  55   8.355   9.371  -7.367
  460    H    ASN  56           H        ASN  56   7.991  11.039  -3.501
  461    HA   ASN  56           HA       ASN  56   8.908  10.005  -0.910
  462   1HB   ASN  56          2HB       ASN  56   8.388  12.823  -1.847
  463   2HB   ASN  56          1HB       ASN  56   8.625  12.412  -0.150
  464   1HD2  ASN  56          1HD2      ASN  56  10.657  11.600   0.504
  465   2HD2  ASN  56          2HD2      ASN  56  12.083  11.901  -0.431
  466    H    MET  57           H        MET  57   7.525   9.764   0.757
  467    HA   MET  57           HA       MET  57   4.707   9.723   0.113
  468   1HB   MET  57          2HB       MET  57   6.292   8.822   2.511
  469   2HB   MET  57          1HB       MET  57   4.534   8.801   2.490
  470   1HG   MET  57          2HG       MET  57   5.340   6.621   1.957
  471   2HG   MET  57          1HG       MET  57   4.616   7.319   0.513
  472   1HE   MET  57          1HE       MET  57   6.278   4.798   0.172
  473   2HE   MET  57          2HE       MET  57   7.378   5.220  -1.141
  474   3HE   MET  57          3HE       MET  57   5.693   5.736  -1.201
  475    H    MET  58           H        MET  58   6.575  12.148   0.821
  476    HA   MET  58           HA       MET  58   5.215  13.472   2.945
  477   1HB   MET  58          2HB       MET  58   6.841  14.645   0.678
  478   2HB   MET  58          1HB       MET  58   6.377  15.485   2.151
  479   1HG   MET  58          2HG       MET  58   7.734  13.971   3.470
  480   2HG   MET  58          1HG       MET  58   8.152  13.058   2.023
  481   1HE   MET  58          1HE       MET  58  10.354  14.065   3.977
  482   2HE   MET  58          2HE       MET  58  11.542  14.761   2.874
  483   3HE   MET  58          3HE       MET  58  10.728  13.251   2.458
  484    H    ASN  59           H        ASN  59   4.739  13.104  -0.469
  485    HA   ASN  59           HA       ASN  59   2.504  15.002  -0.435
  486   1HB   ASN  59          2HB       ASN  59   3.805  13.583  -2.779
  487   2HB   ASN  59          1HB       ASN  59   2.518  14.778  -2.888
  488   1HD2  ASN  59          1HD2      ASN  59   2.979  16.937  -2.460
  489   2HD2  ASN  59          2HD2      ASN  59   4.599  17.540  -2.500
  490    H    ALA  60           H        ALA  60   0.484  14.282  -0.325
  491    HA   ALA  60           HA       ALA  60  -0.131  11.556   0.042
  492   1HB   ALA  60          1HB       ALA  60  -1.440  13.382   1.016
  493   2HB   ALA  60          2HB       ALA  60  -2.451  12.273   0.089
  494   3HB   ALA  60          3HB       ALA  60  -1.997  13.835  -0.594
  495    H    GLU  61           H        GLU  61   0.183  13.494  -2.754
  496    HA   GLU  61           HA       GLU  61  -1.429  12.267  -4.631
  497   1HB   GLU  61          2HB       GLU  61   1.421  13.160  -5.084
  498   2HB   GLU  61          1HB       GLU  61   0.158  13.016  -6.298
  499   1HG   GLU  61          2HG       GLU  61  -1.078  14.827  -5.270
  500   2HG   GLU  61          1HG       GLU  61   0.125  14.941  -3.983
  501    H    HIS  62           H        HIS  62   1.905  11.385  -3.725
  502    HA   HIS  62           HA       HIS  62   1.816   9.035  -5.390
  503   1HB   HIS  62          2HB       HIS  62   3.931  10.008  -3.457
  504   2HB   HIS  62          1HB       HIS  62   4.105   8.608  -4.512
  505    HD1  HIS  62           1HD      HIS  62   4.186   9.128  -7.131
  506    HD2  HIS  62           2HD      HIS  62   4.462  12.440  -4.624
  507    HE1  HIS  62           1HE      HIS  62   5.014  11.008  -8.580
  508    HE2  HIS  62           2HE      HIS  62   5.289  12.971  -7.022
  509    H    ARG  63           H        ARG  63   1.023   9.838  -2.181
  510    HA   ARG  63           HA       ARG  63   1.389   7.337  -0.931
  511   1HB   ARG  63          2HB       ARG  63   1.029   9.271   0.439
  512   2HB   ARG  63          1HB       ARG  63  -0.495   9.624  -0.361
  513   1HG   ARG  63          2HG       ARG  63  -0.862   8.702   1.853
  514   2HG   ARG  63          1HG       ARG  63  -1.483   7.618   0.609
  515   1HD   ARG  63          2HD       ARG  63   0.527   6.235   0.817
  516   2HD   ARG  63          1HD       ARG  63   1.151   7.324   2.056
  517    HE   ARG  63           HE       ARG  63  -1.251   6.594   3.053
  518   1HH1  ARG  63          1HH1      ARG  63   1.483   4.768   1.858
  519   2HH1  ARG  63          2HH1      ARG  63   1.164   3.388   2.853
  520   1HH2  ARG  63          1HH2      ARG  63  -1.665   4.809   4.391
  521   2HH2  ARG  63          2HH2      ARG  63  -0.628   3.419   4.321
  522    H    LYS  64           H        LYS  64  -1.561   8.810  -2.356
  523    HA   LYS  64           HA       LYS  64  -2.986   6.342  -2.108
  524   1HB   LYS  64          2HB       LYS  64  -4.799   7.401  -3.297
  525   2HB   LYS  64          1HB       LYS  64  -4.169   8.502  -2.084
  526   1HG   LYS  64          2HG       LYS  64  -3.107   9.842  -3.740
  527   2HG   LYS  64          1HG       LYS  64  -3.419   8.640  -4.996
  528   1HD   LYS  64          2HD       LYS  64  -5.835   8.994  -4.721
  529   2HD   LYS  64          1HD       LYS  64  -5.513  10.207  -3.483
  530   1HE   LYS  64          2HE       LYS  64  -4.585  10.377  -6.345
  531   2HE   LYS  64          1HE       LYS  64  -6.023  11.170  -5.707
  532   1HZ   LYS  64          1HZ       LYS  64  -4.257  12.733  -5.736
  533   2HZ   LYS  64          2HZ       LYS  64  -3.209  11.682  -4.935
  534   3HZ   LYS  64          3HZ       LYS  64  -4.539  12.335  -4.118
  535    H    LEU  65           H        LEU  65  -0.906   7.744  -4.478
  536    HA   LEU  65           HA       LEU  65  -1.667   6.257  -6.733
  537   1HB   LEU  65          2HB       LEU  65   0.029   8.202  -6.491
  538   2HB   LEU  65          1HB       LEU  65   1.188   6.953  -6.092
  539    HG   LEU  65           HG       LEU  65   1.288   7.709  -8.455
  540   1HD1  LEU  65          1HD1      LEU  65   0.516   4.820  -8.096
  541   2HD1  LEU  65          2HD1      LEU  65   2.125   5.506  -7.870
  542   3HD1  LEU  65          3HD1      LEU  65   1.387   5.493  -9.472
  543   1HD2  LEU  65          1HD2      LEU  65  -1.425   6.419  -8.674
  544   2HD2  LEU  65          2HD2      LEU  65  -0.452   7.019 -10.016
  545   3HD2  LEU  65          3HD2      LEU  65  -1.078   8.142  -8.807
  546    H    LEU  66           H        LEU  66   0.712   5.543  -4.170
  547    HA   LEU  66           HA       LEU  66   1.305   2.965  -5.248
  548   1HB   LEU  66          2HB       LEU  66   2.761   2.661  -3.435
  549   2HB   LEU  66          1HB       LEU  66   2.848   4.367  -3.819
  550    HG   LEU  66           HG       LEU  66   0.963   4.432  -1.895
  551   1HD1  LEU  66          1HD1      LEU  66   2.797   2.156  -1.135
  552   2HD1  LEU  66          2HD1      LEU  66   1.073   2.026  -1.483
  553   3HD1  LEU  66          3HD1      LEU  66   1.619   2.939  -0.078
  554   1HD2  LEU  66          1HD2      LEU  66   3.952   4.426  -1.485
  555   2HD2  LEU  66          2HD2      LEU  66   2.768   5.103  -0.368
  556   3HD2  LEU  66          3HD2      LEU  66   2.966   5.804  -1.974
  557    H    GLU  67           H        GLU  67  -1.120   4.219  -3.133
  558    HA   GLU  67           HA       GLU  67  -1.921   1.788  -1.919
  559   1HB   GLU  67          2HB       GLU  67  -2.700   4.027  -1.169
  560   2HB   GLU  67          1HB       GLU  67  -3.632   4.180  -2.652
  561   1HG   GLU  67          2HG       GLU  67  -4.955   2.214  -2.004
  562   2HG   GLU  67          1HG       GLU  67  -4.038   2.110  -0.503
  563    H    GLN  68           H        GLN  68  -2.940   3.479  -4.856
  564    HA   GLN  68           HA       GLN  68  -4.746   1.619  -5.876
  565   1HB   GLN  68          2HB       GLN  68  -2.781   3.371  -7.374
  566   2HB   GLN  68          1HB       GLN  68  -4.158   2.550  -8.091
  567   1HG   GLN  68          2HG       GLN  68  -5.696   3.891  -6.869
  568   2HG   GLN  68          1HG       GLN  68  -4.400   4.590  -5.895
  569   1HE2  GLN  68          1HE2      GLN  68  -5.958   4.572  -9.006
  570   2HE2  GLN  68          2HE2      GLN  68  -5.232   6.020  -9.607
  571    H    GLU  69           H        GLU  69  -1.238   1.857  -6.381
  572    HA   GLU  69           HA       GLU  69  -0.896  -0.388  -8.008
  573   1HB   GLU  69          2HB       GLU  69   1.000   0.794  -5.975
  574   2HB   GLU  69          1HB       GLU  69   1.451  -0.339  -7.241
  575   1HG   GLU  69          2HG       GLU  69   0.226   2.348  -7.798
  576   2HG   GLU  69          1HG       GLU  69   1.964   2.079  -7.681
  577    H    MET  70           H        MET  70  -0.876  -0.069  -4.495
  578    HA   MET  70           HA       MET  70   0.003  -2.637  -3.827
  579   1HB   MET  70          2HB       MET  70  -0.152  -0.795  -2.206
  580   2HB   MET  70          1HB       MET  70  -1.904  -0.848  -2.304
  581   1HG   MET  70          2HG       MET  70  -1.887  -3.112  -1.379
  582   2HG   MET  70          1HG       MET  70  -0.128  -3.050  -1.272
  583   1HE   MET  70          1HE       MET  70   0.337   0.006  -0.320
  584   2HE   MET  70          2HE       MET  70   1.199  -1.399   0.303
  585   3HE   MET  70          3HE       MET  70   0.439  -0.266   1.419
  586    H    VAL  71           H        VAL  71  -3.311  -1.392  -4.139
  587    HA   VAL  71           HA       VAL  71  -4.637  -3.820  -3.661
  588    HB   VAL  71           HB       VAL  71  -5.557  -1.526  -5.409
  589   1HG1  VAL  71          1HG1      VAL  71  -7.816  -2.339  -4.944
  590   2HG1  VAL  71          2HG1      VAL  71  -7.145  -3.700  -4.045
  591   3HG1  VAL  71          3HG1      VAL  71  -6.855  -3.559  -5.779
  592   1HG2  VAL  71          1HG2      VAL  71  -5.985  -2.040  -2.469
  593   2HG2  VAL  71          2HG2      VAL  71  -6.740  -0.749  -3.404
  594   3HG2  VAL  71          3HG2      VAL  71  -4.992  -0.765  -3.177
  595    H    SER  72           H        SER  72  -3.261  -2.427  -6.575
  596    HA   SER  72           HA       SER  72  -4.488  -4.228  -8.392
  597   1HB   SER  72          2HB       SER  72  -1.988  -2.561  -8.771
  598   2HB   SER  72          1HB       SER  72  -2.969  -3.279 -10.051
  599    HG   SER  72           HG       SER  72  -3.552  -1.117  -8.345
  600    H    PHE  73           H        PHE  73  -1.274  -4.167  -6.854
  601    HA   PHE  73           HA       PHE  73  -0.355  -6.410  -8.383
  602   1HB   PHE  73          2HB       PHE  73   1.105  -4.584  -7.414
  603   2HB   PHE  73          1HB       PHE  73   0.858  -5.326  -5.838
  604    HD1  PHE  73           1HD      PHE  73   2.510  -5.610  -9.071
  605    HD2  PHE  73           2HD      PHE  73   1.854  -7.495  -5.313
  606    HE1  PHE  73           1HE      PHE  73   4.385  -7.137  -9.514
  607    HE2  PHE  73           2HE      PHE  73   3.728  -9.029  -5.753
  608    HZ   PHE  73           HZ       PHE  73   4.994  -8.850  -7.855
  609    H    LEU  74           H        LEU  74  -1.780  -5.974  -5.197
  610    HA   LEU  74           HA       LEU  74  -1.101  -8.683  -4.426
  611   1HB   LEU  74          2HB       LEU  74  -2.626  -6.550  -2.940
  612   2HB   LEU  74          1HB       LEU  74  -2.136  -8.095  -2.272
  613    HG   LEU  74           HG       LEU  74  -0.320  -5.859  -3.161
  614   1HD1  LEU  74          1HD1      LEU  74   0.337  -5.798  -0.814
  615   2HD1  LEU  74          2HD1      LEU  74  -0.839  -7.061  -0.450
  616   3HD1  LEU  74          3HD1      LEU  74  -1.388  -5.482  -1.013
  617   1HD2  LEU  74          1HD2      LEU  74   1.530  -7.264  -2.411
  618   2HD2  LEU  74          2HD2      LEU  74   0.658  -8.011  -3.751
  619   3HD2  LEU  74          3HD2      LEU  74   0.406  -8.590  -2.105
  620    H    PHE  75           H        PHE  75  -4.038  -6.841  -5.160
  621    HA   PHE  75           HA       PHE  75  -5.573  -9.345  -4.917
  622   1HB   PHE  75          2HB       PHE  75  -6.283  -7.562  -3.378
  623   2HB   PHE  75          1HB       PHE  75  -6.518  -6.475  -4.741
  624    HD1  PHE  75           1HD      PHE  75  -7.695  -9.702  -3.332
  625    HD2  PHE  75           2HD      PHE  75  -8.585  -6.347  -5.791
  626    HE1  PHE  75           1HE      PHE  75 -10.019 -10.467  -3.531
  627    HE2  PHE  75           2HE      PHE  75 -10.917  -7.112  -5.996
  628    HZ   PHE  75           HZ       PHE  75 -11.634  -9.175  -4.866
  629    H    GLU  76           H        GLU  76  -5.103  -6.461  -6.852
  630    HA   GLU  76           HA       GLU  76  -5.779  -5.796  -8.884
  631   1HB   GLU  76          2HB       GLU  76  -4.177  -7.622  -9.490
  632   2HB   GLU  76          1HB       GLU  76  -5.563  -8.694  -9.678
  633   1HG   GLU  76          2HG       GLU  76  -4.709  -7.678 -11.801
  634   2HG   GLU  76          1HG       GLU  76  -6.426  -7.430 -11.487
  635    H    GLY  77           H        GLY  77  -7.800  -5.296  -7.953
  636   1HA   GLY  77          2HA       GLY  77  -9.923  -6.453  -9.570
  637   2HA   GLY  77          1HA       GLY  77 -10.159  -6.481  -7.824
  638    H    LYS  78           H        LYS  78  -8.431  -4.024  -9.566
  639    HA   LYS  78           HA       LYS  78 -10.324  -2.045  -8.515
  640   1HB   LYS  78          2HB       LYS  78  -8.443  -0.439  -8.743
  641   2HB   LYS  78          1HB       LYS  78  -8.078  -1.775  -7.664
  642   1HG   LYS  78          2HG       LYS  78  -6.122  -1.574  -8.869
  643   2HG   LYS  78          1HG       LYS  78  -6.968  -2.837  -9.760
  644   1HD   LYS  78          2HD       LYS  78  -7.672  -1.260 -11.436
  645   2HD   LYS  78          1HD       LYS  78  -7.022   0.087 -10.503
  646   1HE   LYS  78          2HE       LYS  78  -5.490  -0.398 -12.269
  647   2HE   LYS  78          1HE       LYS  78  -4.757  -0.917 -10.755
  648   1HZ   LYS  78          1HZ       LYS  78  -5.478  -3.204 -11.286
  649   2HZ   LYS  78          2HZ       LYS  78  -4.399  -2.570 -12.427
  650   3HZ   LYS  78          3HZ       LYS  78  -6.047  -2.656 -12.782
  651    H    ASP  79           H        ASP  79 -10.931  -0.255  -9.799
  652    HA   ASP  79           HA       ASP  79 -10.280  -0.435 -12.663
  653   1HB   ASP  79          2HB       ASP  79 -12.528   0.316 -13.241
  654   2HB   ASP  79          1HB       ASP  79 -12.620  -1.166 -12.298
  655    H    VAL  80           H        VAL  80  -9.460   1.121 -10.126
  656    HA   VAL  80           HA       VAL  80 -10.083   3.859 -10.710
  657    HB   VAL  80           HB       VAL  80  -7.829   2.857  -8.963
  658   1HG1  VAL  80          1HG1      VAL  80  -9.464   5.390  -8.885
  659   2HG1  VAL  80          2HG1      VAL  80  -7.803   5.243  -9.460
  660   3HG1  VAL  80          3HG1      VAL  80  -8.178   4.958  -7.760
  661   1HG2  VAL  80          1HG2      VAL  80 -10.724   3.252  -8.207
  662   2HG2  VAL  80          2HG2      VAL  80  -9.405   2.942  -7.078
  663   3HG2  VAL  80          3HG2      VAL  80  -9.854   1.718  -8.263
  664    H    HIS  81           H        HIS  81  -8.629   5.434 -11.560
  665    HA   HIS  81           HA       HIS  81  -7.007   4.266 -13.661
  666   1HB   HIS  81          2HB       HIS  81  -7.783   7.137 -13.116
  667   2HB   HIS  81          1HB       HIS  81  -6.857   6.599 -14.512
  668    HD1  HIS  81           1HD      HIS  81  -8.171   5.935 -16.515
  669    HD2  HIS  81           2HD      HIS  81 -10.480   6.003 -13.065
  670    HE1  HIS  81           1HE      HIS  81 -10.531   5.537 -17.274
  671    HE2  HIS  81           2HE      HIS  81 -11.860   5.351 -15.147
  672    H    ILE  82           H        ILE  82  -5.051   3.631 -12.976
  673    HA   ILE  82           HA       ILE  82  -3.472   5.390 -11.277
  674    HB   ILE  82           HB       ILE  82  -2.599   2.786 -12.549
  675   1HG1  ILE  82          2HG1      ILE  82  -3.831   3.261  -9.826
  676   2HG1  ILE  82          1HG1      ILE  82  -4.618   2.448 -11.171
  677   1HG2  ILE  82          1HG2      ILE  82  -0.943   2.764 -10.730
  678   2HG2  ILE  82          2HG2      ILE  82  -1.544   4.325 -10.172
  679   3HG2  ILE  82          3HG2      ILE  82  -0.772   4.191 -11.750
  680   1HD1  ILE  82          1HD1      ILE  82  -3.789   0.858  -9.538
  681   2HD1  ILE  82          2HD1      ILE  82  -2.156   1.494  -9.731
  682   3HD1  ILE  82          3HD1      ILE  82  -2.950   0.676 -11.078
  683    H    GLU  83           H        GLU  83  -3.221   7.156 -12.645
  684    HA   GLU  83           HA       GLU  83  -1.669   6.661 -15.100
  685   1HB   GLU  83          2HB       GLU  83  -3.486   9.016 -14.595
  686   2HB   GLU  83          1HB       GLU  83  -2.749   8.542 -16.115
  687   1HG   GLU  83          2HG       GLU  83  -4.920   7.084 -14.637
  688   2HG   GLU  83          1HG       GLU  83  -5.089   8.001 -16.131
  689    H    GLY  84           H        GLY  84  -1.295   7.701 -12.061
  690   1HA   GLY  84          2HA       GLY  84   0.370   8.981 -11.067
  691   2HA   GLY  84          1HA       GLY  84   0.927   9.438 -12.672
  692    H    TYR  85           H        TYR  85  -1.108  10.655 -13.826
  693    HA   TYR  85           HA       TYR  85  -1.875  12.837 -12.006
  694   1HB   TYR  85          2HB       TYR  85  -1.519  12.823 -15.007
  695   2HB   TYR  85          1HB       TYR  85  -2.181  14.179 -14.105
  696    HD1  TYR  85           1HD      TYR  85   0.839  12.372 -15.031
  697    HD2  TYR  85           2HD      TYR  85  -0.738  15.474 -12.585
  698    HE1  TYR  85           1HE      TYR  85   3.112  13.240 -14.671
  699    HE2  TYR  85           2HE      TYR  85   1.529  16.347 -12.220
  700    HH   TYR  85           HH       TYR  85   3.835  15.567 -12.293
  701    H    THR  86           H        THR  86  -3.781  12.005 -11.219
  702    HA   THR  86           HA       THR  86  -5.927  11.724 -13.198
  703    HB   THR  86           HB       THR  86  -5.342   9.467 -12.469
  704    HG1  THR  86           1HG      THR  86  -7.465   8.920 -11.559
  705   1HG2  THR  86          1HG2      THR  86  -5.959  10.428  -9.673
  706   2HG2  THR  86          2HG2      THR  86  -4.367   9.985 -10.288
  707   3HG2  THR  86          3HG2      THR  86  -5.628   8.760 -10.142
  708    HA   PRO  87           HA       PRO  87  -7.798  14.636 -10.409
  709   1HB   PRO  87          2HB       PRO  87 -10.034  15.103 -11.778
  710   2HB   PRO  87          1HB       PRO  87  -8.461  15.581 -12.427
  711   1HG   PRO  87          2HG       PRO  87 -10.174  13.237 -13.137
  712   2HG   PRO  87          1HG       PRO  87  -9.194  14.273 -14.190
  713   1HD   PRO  87          2HD       PRO  87  -8.434  11.777 -13.205
  714   2HD   PRO  87          1HD       PRO  87  -7.340  12.998 -13.878
  715    H    GLU  88           H        GLU  88  -8.233  11.629 -10.048
  716    HA   GLU  88           HA       GLU  88 -10.989  11.469  -9.201
  717   1HB   GLU  88          2HB       GLU  88  -8.700   9.514  -8.934
  718   2HB   GLU  88          1HB       GLU  88 -10.359   9.181  -8.451
  719   1HG   GLU  88          2HG       GLU  88 -11.113   9.462 -10.730
  720   2HG   GLU  88          1HG       GLU  88  -9.484   9.899 -11.239
  721    H    ASP  89           H        ASP  89 -10.376  13.470  -7.851
  722    HA   ASP  89           HA       ASP  89  -9.099  13.042  -5.331
  723   1HB   ASP  89          2HB       ASP  89 -11.081  15.188  -6.134
  724   2HB   ASP  89          1HB       ASP  89 -10.018  15.233  -4.733
  725    H    LYS  90           H        LYS  90 -12.431  13.223  -6.438
  726    HA   LYS  90           HA       LYS  90 -13.514  12.478  -3.868
  727   1HB   LYS  90          2HB       LYS  90 -14.776  14.018  -5.255
  728   2HB   LYS  90          1HB       LYS  90 -14.768  12.881  -6.593
  729   1HG   LYS  90          2HG       LYS  90 -16.074  11.315  -5.094
  730   2HG   LYS  90          1HG       LYS  90 -16.270  12.689  -4.003
  731   1HD   LYS  90          2HD       LYS  90 -17.370  13.961  -5.740
  732   2HD   LYS  90          1HD       LYS  90 -17.093  12.661  -6.903
  733   1HE   LYS  90          2HE       LYS  90 -18.751  12.440  -4.396
  734   2HE   LYS  90          1HE       LYS  90 -19.391  12.667  -6.021
  735   1HZ   LYS  90          1HZ       LYS  90 -19.475  10.352  -5.338
  736   2HZ   LYS  90          2HZ       LYS  90 -17.798  10.325  -5.107
  737   3HZ   LYS  90          3HZ       LYS  90 -18.433  10.545  -6.660
  738    H    LYS  91           H        LYS  91 -14.500  10.499  -3.387
  739    HA   LYS  91           HA       LYS  91 -14.170   8.384  -5.393
  740   1HB   LYS  91          2HB       LYS  91 -13.762   6.805  -3.449
  741   2HB   LYS  91          1HB       LYS  91 -12.452   7.910  -3.829
  742   1HG   LYS  91          2HG       LYS  91 -13.045   9.319  -1.963
  743   2HG   LYS  91          1HG       LYS  91 -14.457   8.320  -1.616
  744   1HD   LYS  91          2HD       LYS  91 -12.679   7.750  -0.084
  745   2HD   LYS  91          1HD       LYS  91 -12.944   6.403  -1.194
  746   1HE   LYS  91          2HE       LYS  91 -11.023   7.107  -2.521
  747   2HE   LYS  91          1HE       LYS  91 -10.771   8.489  -1.454
  748   1HZ   LYS  91          1HZ       LYS  91 -10.628   5.643  -0.608
  749   2HZ   LYS  91          2HZ       LYS  91 -10.290   6.991   0.353
  750   3HZ   LYS  91          3HZ       LYS  91  -9.288   6.615  -0.955
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1   1.103 -24.288   7.207
    2   2H    MET   1          2HT       MET   1   0.806 -22.664   7.590
    3   3H    MET   1          3HT       MET   1  -0.466 -23.786   7.588
    4    HA   MET   1           HA       MET   1   0.529 -24.973   9.424
    5   1HB   MET   1          2HB       MET   1   2.545 -22.723   9.299
    6   2HB   MET   1          1HB       MET   1   2.406 -23.852  10.640
    7   1HG   MET   1          2HG       MET   1   2.933 -25.701   9.135
    8   2HG   MET   1          1HG       MET   1   3.070 -24.570   7.793
    9   1HE   MET   1          1HE       MET   1   4.971 -22.797   7.527
   10   2HE   MET   1          2HE       MET   1   6.224 -22.496   8.729
   11   3HE   MET   1          3HE       MET   1   4.548 -22.082   9.083
   12    H    SER   2           H        SER   2   0.494 -21.423   9.099
   13    HA   SER   2           HA       SER   2  -0.918 -21.150  11.616
   14   1HB   SER   2          2HB       SER   2  -0.252 -19.058   9.530
   15   2HB   SER   2          1HB       SER   2  -0.806 -18.750  11.175
   16    HG   SER   2           HG       SER   2   1.396 -20.379  11.041
   17    H    ARG   3           H        ARG   3  -1.600 -20.200   8.237
   18    HA   ARG   3           HA       ARG   3  -4.402 -20.911   8.639
   19   1HB   ARG   3          2HB       ARG   3  -4.187 -18.512   9.275
   20   2HB   ARG   3          1HB       ARG   3  -3.560 -18.169   7.670
   21   1HG   ARG   3          2HG       ARG   3  -5.673 -18.888   6.688
   22   2HG   ARG   3          1HG       ARG   3  -6.303 -19.240   8.296
   23   1HD   ARG   3          2HD       ARG   3  -5.984 -16.868   8.902
   24   2HD   ARG   3          1HD       ARG   3  -5.444 -16.541   7.254
   25    HE   ARG   3           HE       ARG   3  -7.869 -17.680   6.886
   26   1HH1  ARG   3          1HH1      ARG   3  -6.769 -15.009   8.862
   27   2HH1  ARG   3          2HH1      ARG   3  -8.291 -14.180   8.814
   28   1HH2  ARG   3          1HH2      ARG   3  -9.863 -16.594   6.805
   29   2HH2  ARG   3          2HH2      ARG   3 -10.059 -15.082   7.635
   30    H    THR   4           H        THR   4  -4.404 -22.478   7.067
   31    HA   THR   4           HA       THR   4  -3.180 -22.134   4.517
   32    HB   THR   4           HB       THR   4  -4.666 -24.116   3.889
   33    HG1  THR   4           1HG      THR   4  -6.219 -23.687   5.585
   34   1HG2  THR   4          1HG2      THR   4  -2.785 -24.356   6.236
   35   2HG2  THR   4          2HG2      THR   4  -2.348 -24.416   4.530
   36   3HG2  THR   4          3HG2      THR   4  -3.331 -25.699   5.234
   37    H    ILE   5           H        ILE   5  -3.855 -20.718   3.072
   38    HA   ILE   5           HA       ILE   5  -6.741 -20.441   2.606
   39    HB   ILE   5           HB       ILE   5  -6.233 -17.957   2.131
   40   1HG1  ILE   5          2HG1      ILE   5  -4.467 -17.131   3.852
   41   2HG1  ILE   5          1HG1      ILE   5  -3.825 -18.766   3.748
   42   1HG2  ILE   5          1HG2      ILE   5  -6.636 -17.381   4.514
   43   2HG2  ILE   5          2HG2      ILE   5  -6.361 -19.077   4.917
   44   3HG2  ILE   5          3HG2      ILE   5  -7.708 -18.626   3.875
   45   1HD1  ILE   5          1HD1      ILE   5  -2.624 -17.245   2.288
   46   2HD1  ILE   5          2HD1      ILE   5  -4.122 -16.842   1.451
   47   3HD1  ILE   5          3HD1      ILE   5  -3.470 -18.477   1.353
   48    H    PHE   6           H        PHE   6  -7.174 -19.250   0.524
   49    HA   PHE   6           HA       PHE   6  -5.224 -20.078  -1.505
   50   1HB   PHE   6          2HB       PHE   6  -8.159 -19.374  -1.730
   51   2HB   PHE   6          1HB       PHE   6  -7.120 -19.677  -3.118
   52    HD1  PHE   6           1HD      PHE   6  -5.996 -21.940  -3.298
   53    HD2  PHE   6           2HD      PHE   6  -9.182 -21.131  -0.597
   54    HE1  PHE   6           1HE      PHE   6  -6.440 -24.349  -3.110
   55    HE2  PHE   6           2HE      PHE   6  -9.633 -23.542  -0.403
   56    HZ   PHE   6           HZ       PHE   6  -8.261 -25.154  -1.659
   57    H    CYS   7           H        CYS   7  -3.808 -18.523  -1.819
   58    HA   CYS   7           HA       CYS   7  -4.166 -15.817  -1.210
   59   1HB   CYS   7          2HB       CYS   7  -1.968 -16.929  -1.363
   60   2HB   CYS   7          1HB       CYS   7  -2.171 -17.064  -3.106
   61    HG   CYS   7           HG       CYS   7  -2.331 -13.974  -1.731
   62    H    THR   8           H        THR   8  -4.553 -13.995  -2.470
   63    HA   THR   8           HA       THR   8  -6.260 -14.340  -4.726
   64    HB   THR   8           HB       THR   8  -5.811 -11.733  -4.809
   65    HG1  THR   8           1HG      THR   8  -4.541 -11.069  -3.262
   66   1HG2  THR   8          1HG2      THR   8  -7.540 -11.432  -3.083
   67   2HG2  THR   8          2HG2      THR   8  -7.296 -13.096  -2.557
   68   3HG2  THR   8          3HG2      THR   8  -7.933 -12.766  -4.167
   69    H    TYR   9           H        TYR   9  -2.899 -13.312  -4.333
   70    HA   TYR   9           HA       TYR   9  -2.627 -12.756  -7.159
   71   1HB   TYR   9          2HB       TYR   9  -1.445 -11.320  -5.589
   72   2HB   TYR   9          1HB       TYR   9  -0.595 -12.706  -4.914
   73    HD1  TYR   9           1HD      TYR   9  -1.037 -10.801  -8.088
   74    HD2  TYR   9           2HD      TYR   9   1.473 -13.338  -5.783
   75    HE1  TYR   9           1HE      TYR   9   0.772 -10.490  -9.724
   76    HE2  TYR   9           2HE      TYR   9   3.288 -13.035  -7.410
   77    HH   TYR   9           HH       TYR   9   3.543 -12.431  -9.791
   78    H    LEU  10           H        LEU  10  -1.419 -15.179  -4.850
   79    HA   LEU  10           HA       LEU  10   0.023 -16.582  -6.913
   80   1HB   LEU  10          2HB       LEU  10  -0.648 -17.560  -4.137
   81   2HB   LEU  10          1HB       LEU  10   0.583 -18.196  -5.209
   82    HG   LEU  10           HG       LEU  10   0.636 -15.438  -3.975
   83   1HD1  LEU  10          1HD1      LEU  10   0.919 -17.148  -2.281
   84   2HD1  LEU  10          2HD1      LEU  10   2.456 -16.341  -2.593
   85   3HD1  LEU  10          3HD1      LEU  10   2.150 -17.946  -3.259
   86   1HD2  LEU  10          1HD2      LEU  10   1.799 -15.547  -6.116
   87   2HD2  LEU  10          2HD2      LEU  10   2.707 -16.954  -5.562
   88   3HD2  LEU  10          3HD2      LEU  10   2.946 -15.389  -4.784
   89    H    GLN  11           H        GLN  11  -3.043 -16.854  -5.277
   90    HA   GLN  11           HA       GLN  11  -4.798 -18.248  -5.429
   91   1HB   GLN  11          2HB       GLN  11  -3.898 -18.032  -8.285
   92   2HB   GLN  11          1HB       GLN  11  -5.350 -18.929  -7.835
   93   1HG   GLN  11          2HG       GLN  11  -6.304 -16.969  -6.818
   94   2HG   GLN  11          1HG       GLN  11  -4.827 -16.056  -7.111
   95   1HE2  GLN  11          1HE2      GLN  11  -5.998 -14.502  -8.205
   96   2HE2  GLN  11          2HE2      GLN  11  -6.576 -14.760  -9.820
   97    H    ARG  12           H        ARG  12  -2.652 -19.455  -4.424
   98    HA   ARG  12           HA       ARG  12  -3.163 -22.240  -5.188
   99   1HB   ARG  12          2HB       ARG  12  -0.874 -22.847  -4.835
  100   2HB   ARG  12          1HB       ARG  12  -0.851 -21.459  -5.912
  101   1HG   ARG  12          2HG       ARG  12  -0.336 -19.997  -4.017
  102   2HG   ARG  12          1HG       ARG  12  -0.351 -21.395  -2.941
  103   1HD   ARG  12          2HD       ARG  12   1.452 -22.363  -4.473
  104   2HD   ARG  12          1HD       ARG  12   1.592 -20.735  -5.135
  105    HE   ARG  12           HE       ARG  12   1.876 -21.158  -2.242
  106   1HH1  ARG  12          1HH1      ARG  12   3.282 -20.185  -5.303
  107   2HH1  ARG  12          2HH1      ARG  12   4.716 -19.542  -4.575
  108   1HH2  ARG  12          1HH2      ARG  12   3.758 -20.307  -1.288
  109   2HH2  ARG  12          2HH2      ARG  12   4.994 -19.619  -2.295
  110    H    ASP  13           H        ASP  13  -2.454 -23.676  -3.239
  111    HA   ASP  13           HA       ASP  13  -3.614 -22.702  -0.824
  112   1HB   ASP  13          2HB       ASP  13  -3.537 -25.119  -1.410
  113   2HB   ASP  13          1HB       ASP  13  -1.789 -25.094  -1.212
  114    H    ALA  14           H        ALA  14  -2.686 -21.176   0.376
  115    HA   ALA  14           HA       ALA  14   0.248 -21.181   0.576
  116   1HB   ALA  14          1HB       ALA  14  -0.460 -19.504  -1.067
  117   2HB   ALA  14          2HB       ALA  14   0.288 -18.769   0.350
  118   3HB   ALA  14          3HB       ALA  14  -1.464 -18.738   0.165
  119    H    GLU  15           H        GLU  15   0.843 -19.357   2.249
  120    HA   GLU  15           HA       GLU  15  -0.584 -20.061   4.698
  121   1HB   GLU  15          2HB       GLU  15   1.832 -20.578   4.602
  122   2HB   GLU  15          1HB       GLU  15   2.177 -18.882   4.299
  123   1HG   GLU  15          2HG       GLU  15   2.622 -19.311   6.588
  124   2HG   GLU  15          1HG       GLU  15   1.142 -18.352   6.500
  125    H    GLY  16           H        GLY  16  -1.731 -18.558   5.758
  126   1HA   GLY  16          2HA       GLY  16  -2.082 -15.915   4.889
  127   2HA   GLY  16          1HA       GLY  16  -2.442 -16.500   6.512
  128    H    GLN  17           H        GLN  17  -0.816 -14.188   5.000
  129    HA   GLN  17           HA       GLN  17   1.850 -14.322   5.606
  130   1HB   GLN  17          2HB       GLN  17   0.680 -12.500   4.323
  131   2HB   GLN  17          1HB       GLN  17   0.229 -11.793   5.871
  132   1HG   GLN  17          2HG       GLN  17   2.906 -12.147   6.188
  133   2HG   GLN  17          1HG       GLN  17   2.786 -11.779   4.468
  134   1HE2  GLN  17          1HE2      GLN  17   2.308 -10.602   7.691
  135   2HE2  GLN  17          2HE2      GLN  17   2.112  -8.938   7.268
  136    H    ASP  18           H        ASP  18  -0.548 -12.641   7.629
  137    HA   ASP  18           HA       ASP  18   0.385 -13.765  10.044
  138   1HB   ASP  18          2HB       ASP  18   2.155 -11.912   9.279
  139   2HB   ASP  18          1HB       ASP  18   0.971 -10.835  10.015
  140    H    PHE  19           H        PHE  19  -0.357 -11.653  11.768
  141    HA   PHE  19           HA       PHE  19  -3.202 -11.358  11.040
  142   1HB   PHE  19          2HB       PHE  19  -1.963 -11.887  13.748
  143   2HB   PHE  19          1HB       PHE  19  -3.663 -11.506  13.495
  144    HD1  PHE  19           1HD      PHE  19  -5.052 -13.064  12.093
  145    HD2  PHE  19           2HD      PHE  19  -1.157 -14.069  13.474
  146    HE1  PHE  19           1HE      PHE  19  -5.525 -15.440  11.673
  147    HE2  PHE  19           2HE      PHE  19  -1.619 -16.449  13.059
  148    HZ   PHE  19           HZ       PHE  19  -3.803 -17.139  12.154
  149    H    GLN  20           H        GLN  20  -3.910  -9.759  13.255
  150    HA   GLN  20           HA       GLN  20  -3.054  -7.219  12.229
  151   1HB   GLN  20          2HB       GLN  20  -4.920  -7.982  14.473
  152   2HB   GLN  20          1HB       GLN  20  -4.565  -6.312  14.039
  153   1HG   GLN  20          2HG       GLN  20  -5.783  -8.386  12.227
  154   2HG   GLN  20          1HG       GLN  20  -6.645  -7.077  13.037
  155   1HE2  GLN  20          1HE2      GLN  20  -6.366  -4.974  12.329
  156   2HE2  GLN  20          2HE2      GLN  20  -5.682  -4.603  10.784
  157    H    LEU  21           H        LEU  21  -0.909  -7.015  12.674
  158    HA   LEU  21           HA       LEU  21  -0.175  -6.893  15.506
  159   1HB   LEU  21          2HB       LEU  21   2.208  -6.725  14.280
  160   2HB   LEU  21          1HB       LEU  21   1.454  -8.229  14.762
  161    HG   LEU  21           HG       LEU  21   0.534  -8.412  12.419
  162   1HD1  LEU  21          1HD1      LEU  21   2.525  -6.232  11.824
  163   2HD1  LEU  21          2HD1      LEU  21   0.774  -6.040  11.804
  164   3HD1  LEU  21          3HD1      LEU  21   1.555  -7.125  10.656
  165   1HD2  LEU  21          1HD2      LEU  21   2.473  -9.680  13.184
  166   2HD2  LEU  21          2HD2      LEU  21   3.532  -8.347  12.723
  167   3HD2  LEU  21          3HD2      LEU  21   2.630  -9.225  11.488
  168    H    TYR  22           H        TYR  22  -0.351  -4.948  12.597
  169    HA   TYR  22           HA       TYR  22   0.239  -2.596  14.186
  170   1HB   TYR  22          2HB       TYR  22   1.943  -3.434  11.853
  171   2HB   TYR  22          1HB       TYR  22   1.822  -1.750  12.350
  172    HD1  TYR  22           1HD      TYR  22   2.512  -1.139  14.704
  173    HD2  TYR  22           2HD      TYR  22   3.357  -4.934  12.986
  174    HE1  TYR  22           1HE      TYR  22   4.243  -1.514  16.404
  175    HE2  TYR  22           2HE      TYR  22   5.090  -5.322  14.681
  176    HH   TYR  22           HH       TYR  22   6.425  -4.227  16.246
  177    HA   PRO  23           HA       PRO  23  -1.701  -1.110  10.056
  178   1HB   PRO  23          2HB       PRO  23  -2.673  -3.471   8.645
  179   2HB   PRO  23          1HB       PRO  23  -1.651  -2.160   8.054
  180   1HG   PRO  23          2HG       PRO  23  -0.705  -4.656   8.444
  181   2HG   PRO  23          1HG       PRO  23   0.294  -3.211   8.691
  182   1HD   PRO  23          2HD       PRO  23  -1.122  -4.903  10.723
  183   2HD   PRO  23          1HD       PRO  23   0.521  -4.228  10.770
  184    H    GLY  24           H        GLY  24  -3.981  -1.017   9.165
  185   1HA   GLY  24          2HA       GLY  24  -5.815  -1.671  11.337
  186   2HA   GLY  24          1HA       GLY  24  -6.140  -0.592   9.985
  187    H    GLU  25           H        GLU  25  -8.096  -1.528   9.448
  188    HA   GLU  25           HA       GLU  25  -8.673  -4.227   9.250
  189   1HB   GLU  25          2HB       GLU  25 -10.429  -2.582   9.173
  190   2HB   GLU  25          1HB       GLU  25  -9.787  -1.902   7.683
  191   1HG   GLU  25          2HG       GLU  25 -10.268  -4.021   6.539
  192   2HG   GLU  25          1HG       GLU  25 -10.985  -4.640   8.023
  193    H    LEU  26           H        LEU  26  -7.316  -2.063   6.798
  194    HA   LEU  26           HA       LEU  26  -7.399  -3.847   4.644
  195   1HB   LEU  26          2HB       LEU  26  -5.539  -1.558   5.242
  196   2HB   LEU  26          1HB       LEU  26  -5.517  -2.439   3.725
  197    HG   LEU  26           HG       LEU  26  -7.886  -0.916   4.803
  198   1HD1  LEU  26          1HD1      LEU  26  -7.418   0.687   3.030
  199   2HD1  LEU  26          2HD1      LEU  26  -5.973  -0.220   2.583
  200   3HD1  LEU  26          3HD1      LEU  26  -6.065   0.572   4.155
  201   1HD2  LEU  26          1HD2      LEU  26  -8.746  -1.247   2.487
  202   2HD2  LEU  26          2HD2      LEU  26  -8.631  -2.723   3.441
  203   3HD2  LEU  26          3HD2      LEU  26  -7.417  -2.374   2.211
  204    H    GLY  27           H        GLY  27  -5.302  -3.688   7.378
  205   1HA   GLY  27          2HA       GLY  27  -3.085  -5.111   6.423
  206   2HA   GLY  27          1HA       GLY  27  -3.640  -5.085   8.092
  207    H    LYS  28           H        LYS  28  -5.870  -6.392   8.264
  208    HA   LYS  28           HA       LYS  28  -5.052  -9.076   7.741
  209   1HB   LYS  28          2HB       LYS  28  -7.034  -9.759   8.949
  210   2HB   LYS  28          1HB       LYS  28  -6.239  -8.451   9.809
  211   1HG   LYS  28          2HG       LYS  28  -7.885  -6.874   8.839
  212   2HG   LYS  28          1HG       LYS  28  -8.719  -8.253   8.114
  213   1HD   LYS  28          2HD       LYS  28  -9.034  -9.209  10.364
  214   2HD   LYS  28          1HD       LYS  28  -8.256  -7.788  11.061
  215   1HE   LYS  28          2HE       LYS  28 -10.626  -7.513  11.238
  216   2HE   LYS  28          1HE       LYS  28 -10.027  -6.384  10.025
  217   1HZ   LYS  28          1HZ       LYS  28 -11.368  -8.980   9.501
  218   2HZ   LYS  28          2HZ       LYS  28 -10.725  -7.971   8.310
  219   3HZ   LYS  28          3HZ       LYS  28 -12.025  -7.442   9.251
  220    H    ARG  29           H        ARG  29  -7.150  -6.808   6.204
  221    HA   ARG  29           HA       ARG  29  -8.665  -8.604   4.628
  222   1HB   ARG  29          2HB       ARG  29  -9.310  -6.266   4.957
  223   2HB   ARG  29          1HB       ARG  29  -7.858  -5.732   4.128
  224   1HG   ARG  29          2HG       ARG  29  -8.661  -6.672   2.047
  225   2HG   ARG  29          1HG       ARG  29 -10.095  -7.301   2.863
  226   1HD   ARG  29          2HD       ARG  29 -10.890  -5.104   3.323
  227   2HD   ARG  29          1HD       ARG  29  -9.369  -4.382   2.808
  228    HE   ARG  29           HE       ARG  29 -10.423  -5.807   0.652
  229   1HH1  ARG  29          1HH1      ARG  29 -11.218  -3.002   2.580
  230   2HH1  ARG  29          2HH1      ARG  29 -11.994  -2.161   1.277
  231   1HH2  ARG  29          1HH2      ARG  29 -11.424  -4.699  -1.080
  232   2HH2  ARG  29          2HH2      ARG  29 -12.113  -3.128  -0.811
  233    H    ILE  30           H        ILE  30  -5.421  -7.403   4.406
  234    HA   ILE  30           HA       ILE  30  -5.094  -8.593   1.757
  235    HB   ILE  30           HB       ILE  30  -3.169  -7.005   3.461
  236   1HG1  ILE  30          2HG1      ILE  30  -4.545  -6.321   0.853
  237   2HG1  ILE  30          1HG1      ILE  30  -5.077  -5.768   2.437
  238   1HG2  ILE  30          1HG2      ILE  30  -2.802  -8.098   0.672
  239   2HG2  ILE  30          2HG2      ILE  30  -1.962  -8.646   2.123
  240   3HG2  ILE  30          3HG2      ILE  30  -1.692  -7.015   1.510
  241   1HD1  ILE  30          1HD1      ILE  30  -2.950  -4.595   2.727
  242   2HD1  ILE  30          2HD1      ILE  30  -3.835  -4.041   1.304
  243   3HD1  ILE  30          3HD1      ILE  30  -2.455  -5.124   1.118
  244    H    TYR  31           H        TYR  31  -3.838  -8.919   5.065
  245    HA   TYR  31           HA       TYR  31  -1.920 -10.911   4.491
  246   1HB   TYR  31          2HB       TYR  31  -3.281 -10.253   7.107
  247   2HB   TYR  31          1HB       TYR  31  -1.864 -11.277   6.941
  248    HD1  TYR  31           1HD      TYR  31  -1.224  -8.933   4.555
  249    HD2  TYR  31           2HD      TYR  31  -1.564  -9.208   8.787
  250    HE1  TYR  31           1HE      TYR  31   0.216  -6.954   4.795
  251    HE2  TYR  31           2HE      TYR  31  -0.124  -7.232   9.037
  252    HH   TYR  31           HH       TYR  31   0.731  -5.227   6.379
  253    H    ASN  32           H        ASN  32  -5.308 -11.173   4.696
  254    HA   ASN  32           HA       ASN  32  -5.318 -13.891   5.684
  255   1HB   ASN  32          2HB       ASN  32  -7.730 -13.805   5.380
  256   2HB   ASN  32          1HB       ASN  32  -7.173 -12.359   6.211
  257   1HD2  ASN  32          1HD2      ASN  32  -9.623 -12.609   4.875
  258   2HD2  ASN  32          2HD2      ASN  32  -9.634 -11.494   3.557
  259    H    GLU  33           H        GLU  33  -5.053 -12.334   2.626
  260    HA   GLU  33           HA       GLU  33  -5.275 -14.964   1.336
  261   1HB   GLU  33          2HB       GLU  33  -6.397 -12.370   0.262
  262   2HB   GLU  33          1HB       GLU  33  -6.289 -13.867  -0.656
  263   1HG   GLU  33          2HG       GLU  33  -7.723 -14.955   1.047
  264   2HG   GLU  33          1HG       GLU  33  -7.907 -13.390   1.835
  265    H    ILE  34           H        ILE  34  -3.098 -12.949   2.228
  266    HA   ILE  34           HA       ILE  34  -1.553 -13.240  -0.255
  267    HB   ILE  34           HB       ILE  34  -1.662 -10.891   1.606
  268   1HG1  ILE  34          2HG1      ILE  34  -2.991 -10.870  -0.461
  269   2HG1  ILE  34          1HG1      ILE  34  -1.731  -9.640  -0.497
  270   1HG2  ILE  34          1HG2      ILE  34   0.431 -10.027   0.669
  271   2HG2  ILE  34          2HG2      ILE  34   0.677 -11.549  -0.189
  272   3HG2  ILE  34          3HG2      ILE  34   0.694 -11.516   1.575
  273   1HD1  ILE  34          1HD1      ILE  34  -0.341 -11.208  -1.838
  274   2HD1  ILE  34          2HD1      ILE  34  -1.822 -10.676  -2.636
  275   3HD1  ILE  34          3HD1      ILE  34  -1.734 -12.286  -1.922
  276    H    SER  35           H        SER  35   0.273 -14.314  -0.089
  277    HA   SER  35           HA       SER  35   1.110 -15.297   2.513
  278   1HB   SER  35          2HB       SER  35   0.908 -16.866   0.601
  279   2HB   SER  35          1HB       SER  35   2.149 -15.953  -0.258
  280    HG   SER  35           HG       SER  35   3.446 -17.325   0.695
  281    H    LYS  36           H        LYS  36   3.390 -15.293   3.055
  282    HA   LYS  36           HA       LYS  36   4.681 -12.862   3.122
  283   1HB   LYS  36          2HB       LYS  36   5.854 -15.646   3.186
  284   2HB   LYS  36          1HB       LYS  36   6.764 -14.194   3.575
  285   1HG   LYS  36          2HG       LYS  36   4.284 -15.071   5.037
  286   2HG   LYS  36          1HG       LYS  36   5.929 -15.460   5.542
  287   1HD   LYS  36          2HD       LYS  36   6.408 -13.008   5.605
  288   2HD   LYS  36          1HD       LYS  36   4.695 -12.720   5.297
  289   1HE   LYS  36          2HE       LYS  36   5.126 -12.553   7.666
  290   2HE   LYS  36          1HE       LYS  36   4.149 -13.985   7.346
  291   1HZ   LYS  36          1HZ       LYS  36   7.079 -13.945   7.825
  292   2HZ   LYS  36          2HZ       LYS  36   6.172 -15.323   7.460
  293   3HZ   LYS  36          3HZ       LYS  36   5.897 -14.493   8.904
  294    H    ASP  37           H        ASP  37   4.841 -15.402   0.724
  295    HA   ASP  37           HA       ASP  37   7.039 -14.602  -0.771
  296   1HB   ASP  37          2HB       ASP  37   4.487 -15.781  -1.884
  297   2HB   ASP  37          1HB       ASP  37   6.095 -15.878  -2.594
  298    H    ALA  38           H        ALA  38   3.626 -13.939  -1.522
  299    HA   ALA  38           HA       ALA  38   4.147 -12.154  -3.624
  300   1HB   ALA  38          1HB       ALA  38   1.676 -12.390  -1.912
  301   2HB   ALA  38          2HB       ALA  38   2.017 -13.310  -3.376
  302   3HB   ALA  38          3HB       ALA  38   1.779 -11.565  -3.468
  303    H    TRP  39           H        TRP  39   3.646 -11.639  -0.179
  304    HA   TRP  39           HA       TRP  39   3.470  -8.836  -0.229
  305   1HB   TRP  39          2HB       TRP  39   2.914 -10.257   1.732
  306   2HB   TRP  39          1HB       TRP  39   4.628 -10.587   1.953
  307    HD1  TRP  39           HD       TRP  39   5.984  -8.871   3.357
  308    HE1  TRP  39           1HE      TRP  39   5.434  -6.627   4.489
  309    HE3  TRP  39           3HE      TRP  39   1.347  -8.072   1.357
  310    HZ2  TRP  39           2HZ      TRP  39   3.313  -4.758   4.527
  311    HZ3  TRP  39           3HZ      TRP  39   0.125  -6.032   1.991
  312    HH2  TRP  39           HH       TRP  39   1.086  -4.413   3.544
  313    H    ALA  40           H        ALA  40   6.255 -11.010   0.038
  314    HA   ALA  40           HA       ALA  40   8.194  -8.960   0.334
  315   1HB   ALA  40          1HB       ALA  40   8.631 -11.281   0.975
  316   2HB   ALA  40          2HB       ALA  40   9.837 -10.686  -0.167
  317   3HB   ALA  40          3HB       ALA  40   8.554 -11.763  -0.719
  318    H    GLN  41           H        GLN  41   6.940 -10.725  -2.461
  319    HA   GLN  41           HA       GLN  41   8.599  -9.675  -4.446
  320   1HB   GLN  41          2HB       GLN  41   5.660 -10.349  -4.688
  321   2HB   GLN  41          1HB       GLN  41   6.800 -10.216  -6.018
  322   1HG   GLN  41          2HG       GLN  41   8.029 -12.142  -5.166
  323   2HG   GLN  41          1HG       GLN  41   6.906 -12.255  -3.806
  324   1HE2  GLN  41          1HE2      GLN  41   7.542 -14.175  -5.937
  325   2HE2  GLN  41          2HE2      GLN  41   6.034 -14.547  -6.691
  326    H    TRP  42           H        TRP  42   5.583  -8.457  -3.077
  327    HA   TRP  42           HA       TRP  42   5.346  -6.299  -4.880
  328   1HB   TRP  42          2HB       TRP  42   3.455  -7.288  -3.587
  329   2HB   TRP  42          1HB       TRP  42   4.104  -6.516  -2.139
  330    HD1  TRP  42           HD       TRP  42   2.604  -4.475  -1.641
  331    HE1  TRP  42           1HE      TRP  42   1.632  -2.537  -3.035
  332    HE3  TRP  42           3HE      TRP  42   4.152  -5.953  -6.282
  333    HZ2  TRP  42           2HZ      TRP  42   1.538  -1.754  -5.747
  334    HZ3  TRP  42           3HZ      TRP  42   3.584  -4.561  -8.218
  335    HH2  TRP  42           HH       TRP  42   2.304  -2.510  -7.960
  336    H    GLN  43           H        GLN  43   6.465  -6.452  -1.500
  337    HA   GLN  43           HA       GLN  43   7.019  -3.712  -1.266
  338   1HB   GLN  43          2HB       GLN  43   8.201  -6.094   0.162
  339   2HB   GLN  43          1HB       GLN  43   8.617  -4.433   0.565
  340   1HG   GLN  43          2HG       GLN  43   6.093  -4.080   0.850
  341   2HG   GLN  43          1HG       GLN  43   5.994  -5.840   0.881
  342   1HE2  GLN  43          1HE2      GLN  43   5.463  -3.809   2.957
  343   2HE2  GLN  43          2HE2      GLN  43   6.450  -4.251   4.306
  344    H    HIS  44           H        HIS  44   8.931  -6.378  -2.534
  345    HA   HIS  44           HA       HIS  44  11.379  -5.031  -2.810
  346   1HB   HIS  44          2HB       HIS  44  11.145  -7.466  -3.098
  347   2HB   HIS  44          1HB       HIS  44  10.209  -7.205  -4.562
  348    HD1  HIS  44           1HD      HIS  44  13.711  -7.068  -3.235
  349    HD2  HIS  44           2HD      HIS  44  11.706  -6.626  -6.850
  350    HE1  HIS  44           1HE      HIS  44  15.497  -7.035  -4.997
  351    HE2  HIS  44           2HE      HIS  44  14.275  -6.631  -7.164
  352    H    LYS  45           H        LYS  45   8.701  -5.422  -5.133
  353    HA   LYS  45           HA       LYS  45   9.864  -3.893  -7.197
  354   1HB   LYS  45          2HB       LYS  45   7.910  -5.496  -7.378
  355   2HB   LYS  45          1HB       LYS  45   6.906  -4.241  -6.678
  356   1HG   LYS  45          2HG       LYS  45   8.463  -3.892  -9.236
  357   2HG   LYS  45          1HG       LYS  45   6.799  -4.461  -9.177
  358   1HD   LYS  45          2HD       LYS  45   7.802  -1.779  -8.208
  359   2HD   LYS  45          1HD       LYS  45   6.894  -2.079  -9.690
  360   1HE   LYS  45          2HE       LYS  45   5.005  -2.901  -8.338
  361   2HE   LYS  45          1HE       LYS  45   5.912  -2.537  -6.874
  362   1HZ   LYS  45          1HZ       LYS  45   4.819  -0.631  -8.863
  363   2HZ   LYS  45          2HZ       LYS  45   5.990  -0.180  -7.735
  364   3HZ   LYS  45          3HZ       LYS  45   4.482  -0.728  -7.206
  365    H    GLN  46           H        GLN  46   7.541  -3.020  -4.644
  366    HA   GLN  46           HA       GLN  46   7.088  -0.414  -5.606
  367   1HB   GLN  46          2HB       GLN  46   5.689  -1.763  -3.925
  368   2HB   GLN  46          1HB       GLN  46   6.819  -1.172  -2.708
  369   1HG   GLN  46          2HG       GLN  46   4.949   0.291  -2.715
  370   2HG   GLN  46          1HG       GLN  46   6.303   1.143  -3.475
  371   1HE2  GLN  46          1HE2      GLN  46   4.988   2.531  -4.652
  372   2HE2  GLN  46          2HE2      GLN  46   4.035   1.995  -6.002
  373    H    THR  47           H        THR  47   9.211  -1.607  -3.024
  374    HA   THR  47           HA       THR  47  10.202   0.876  -2.202
  375    HB   THR  47           HB       THR  47  11.625  -1.793  -2.146
  376    HG1  THR  47           1HG      THR  47   9.866  -2.120  -0.936
  377   1HG2  THR  47          1HG2      THR  47  13.130   0.111  -1.731
  378   2HG2  THR  47          2HG2      THR  47  12.893  -0.856  -0.276
  379   3HG2  THR  47          3HG2      THR  47  12.048   0.682  -0.461
  380    H    MET  48           H        MET  48  11.154  -1.247  -4.841
  381    HA   MET  48           HA       MET  48  13.543   0.001  -5.575
  382   1HB   MET  48          2HB       MET  48  12.803  -2.130  -6.538
  383   2HB   MET  48          1HB       MET  48  11.488  -1.304  -7.364
  384   1HG   MET  48          2HG       MET  48  13.328  -1.763  -8.878
  385   2HG   MET  48          1HG       MET  48  13.086  -0.029  -8.678
  386   1HE   MET  48          1HE       MET  48  16.520  -2.409  -6.713
  387   2HE   MET  48          2HE       MET  48  15.378  -3.108  -7.859
  388   3HE   MET  48          3HE       MET  48  14.827  -2.609  -6.261
  389    H    LEU  49           H        LEU  49  10.210   0.652  -6.661
  390    HA   LEU  49           HA       LEU  49  10.942   2.741  -8.426
  391   1HB   LEU  49          2HB       LEU  49   8.293   2.300  -7.047
  392   2HB   LEU  49          1HB       LEU  49   8.570   3.341  -8.430
  393    HG   LEU  49           HG       LEU  49   8.698   0.331  -8.357
  394   1HD1  LEU  49          1HD1      LEU  49   6.900   0.475  -9.968
  395   2HD1  LEU  49          2HD1      LEU  49   6.978   2.236  -9.933
  396   3HD1  LEU  49          3HD1      LEU  49   6.470   1.348  -8.497
  397   1HD2  LEU  49          1HD2      LEU  49  10.527   1.129  -9.738
  398   2HD2  LEU  49          2HD2      LEU  49   9.429   2.196 -10.612
  399   3HD2  LEU  49          3HD2      LEU  49   9.251   0.446 -10.745
  400    H    ILE  50           H        ILE  50   9.988   2.659  -5.053
  401    HA   ILE  50           HA       ILE  50   9.741   5.399  -4.573
  402    HB   ILE  50           HB       ILE  50  10.665   3.207  -2.708
  403   1HG1  ILE  50          2HG1      ILE  50   7.964   4.515  -3.096
  404   2HG1  ILE  50          1HG1      ILE  50   8.408   2.901  -3.639
  405   1HG2  ILE  50          1HG2      ILE  50  10.116   4.715  -0.874
  406   2HG2  ILE  50          2HG2      ILE  50   9.717   5.989  -2.025
  407   3HG2  ILE  50          3HG2      ILE  50  11.378   5.409  -1.894
  408   1HD1  ILE  50          1HD1      ILE  50   8.230   3.848  -0.790
  409   2HD1  ILE  50          2HD1      ILE  50   8.748   2.241  -1.298
  410   3HD1  ILE  50          3HD1      ILE  50   7.101   2.779  -1.620
  411    H    ASN  51           H        ASN  51  12.594   3.320  -4.634
  412    HA   ASN  51           HA       ASN  51  14.334   5.446  -3.751
  413   1HB   ASN  51          2HB       ASN  51  14.788   2.611  -4.627
  414   2HB   ASN  51          1HB       ASN  51  16.143   3.722  -4.456
  415   1HD2  ASN  51          1HD2      ASN  51  13.697   1.907  -2.810
  416   2HD2  ASN  51          2HD2      ASN  51  14.318   2.143  -1.211
  417    H    GLU  52           H        GLU  52  13.448   3.961  -6.822
  418    HA   GLU  52           HA       GLU  52  15.437   5.229  -8.377
  419   1HB   GLU  52          2HB       GLU  52  12.725   4.133  -9.088
  420   2HB   GLU  52          1HB       GLU  52  13.802   4.841 -10.283
  421   1HG   GLU  52          2HG       GLU  52  15.531   3.163  -9.526
  422   2HG   GLU  52          1HG       GLU  52  14.231   2.373  -8.634
  423    H    LYS  53           H        LYS  53  12.114   6.164  -7.564
  424    HA   LYS  53           HA       LYS  53  12.383   8.648  -9.035
  425   1HB   LYS  53          2HB       LYS  53  10.129   7.643  -7.287
  426   2HB   LYS  53          1HB       LYS  53  10.070   9.067  -8.320
  427   1HG   LYS  53          2HG       LYS  53  10.433   7.601 -10.283
  428   2HG   LYS  53          1HG       LYS  53  10.358   6.205  -9.208
  429   1HD   LYS  53          2HD       LYS  53   8.083   6.849  -8.550
  430   2HD   LYS  53          1HD       LYS  53   8.160   8.223  -9.652
  431   1HE   LYS  53          2HE       LYS  53   8.339   5.312 -10.415
  432   2HE   LYS  53          1HE       LYS  53   6.945   6.362 -10.655
  433   1HZ   LYS  53          1HZ       LYS  53   9.608   6.641 -11.946
  434   2HZ   LYS  53          2HZ       LYS  53   8.338   7.745 -12.121
  435   3HZ   LYS  53          3HZ       LYS  53   8.166   6.165 -12.695
  436    H    LYS  54           H        LYS  54  12.950   7.504  -5.895
  437    HA   LYS  54           HA       LYS  54  13.445   8.435  -3.895
  438   1HB   LYS  54          2HB       LYS  54  14.250  10.765  -5.645
  439   2HB   LYS  54          1HB       LYS  54  14.672  10.594  -3.947
  440   1HG   LYS  54          2HG       LYS  54  15.969   8.626  -4.415
  441   2HG   LYS  54          1HG       LYS  54  15.451   8.643  -6.100
  442   1HD   LYS  54          2HD       LYS  54  16.571  10.808  -6.401
  443   2HD   LYS  54          1HD       LYS  54  17.125  10.742  -4.727
  444   1HE   LYS  54          2HE       LYS  54  18.376   8.712  -5.200
  445   2HE   LYS  54          1HE       LYS  54  17.779   8.709  -6.857
  446   1HZ   LYS  54          1HZ       LYS  54  19.979   9.602  -6.810
  447   2HZ   LYS  54          2HZ       LYS  54  19.565  10.729  -5.620
  448   3HZ   LYS  54          3HZ       LYS  54  18.910  10.860  -7.172
  449    H    LEU  55           H        LEU  55  11.001   8.354  -3.789
  450    HA   LEU  55           HA       LEU  55   9.926  11.068  -3.518
  451   1HB   LEU  55          2HB       LEU  55   7.667   9.972  -3.823
  452   2HB   LEU  55          1HB       LEU  55   8.698  10.078  -5.233
  453    HG   LEU  55           HG       LEU  55   9.367   7.630  -4.609
  454   1HD1  LEU  55          1HD1      LEU  55   7.538   6.382  -3.568
  455   2HD1  LEU  55          2HD1      LEU  55   6.706   7.897  -3.223
  456   3HD1  LEU  55          3HD1      LEU  55   8.256   7.547  -2.459
  457   1HD2  LEU  55          1HD2      LEU  55   6.661   8.307  -5.751
  458   2HD2  LEU  55          2HD2      LEU  55   7.530   6.791  -5.980
  459   3HD2  LEU  55          3HD2      LEU  55   8.185   8.289  -6.637
  460    H    ASN  56           H        ASN  56   9.090  11.721  -1.670
  461    HA   ASN  56           HA       ASN  56   9.157   9.900   0.619
  462   1HB   ASN  56          2HB       ASN  56  10.239  12.235   0.599
  463   2HB   ASN  56          1HB       ASN  56   8.602  12.872   0.664
  464   1HD2  ASN  56          1HD2      ASN  56   7.601  10.782   2.446
  465   2HD2  ASN  56          2HD2      ASN  56   8.280  11.117   3.999
  466    H    MET  57           H        MET  57   7.320   9.088   1.469
  467    HA   MET  57           HA       MET  57   4.833   9.581   0.143
  468   1HB   MET  57          2HB       MET  57   5.603   7.841   2.470
  469   2HB   MET  57          1HB       MET  57   3.945   7.972   1.898
  470   1HG   MET  57          2HG       MET  57   6.311   7.009   0.312
  471   2HG   MET  57          1HG       MET  57   5.006   6.018   0.964
  472   1HE   MET  57          1HE       MET  57   4.377   5.911  -2.913
  473   2HE   MET  57          2HE       MET  57   4.660   4.958  -1.457
  474   3HE   MET  57          3HE       MET  57   5.945   5.974  -2.107
  475    H    MET  58           H        MET  58   5.737  11.945   1.394
  476    HA   MET  58           HA       MET  58   3.783  12.335   3.548
  477   1HB   MET  58          2HB       MET  58   4.845  14.493   3.921
  478   2HB   MET  58          1HB       MET  58   6.060  13.223   3.910
  479   1HG   MET  58          2HG       MET  58   6.776  13.829   1.714
  480   2HG   MET  58          1HG       MET  58   5.444  14.969   1.543
  481   1HE   MET  58          1HE       MET  58   7.487  14.518   4.887
  482   2HE   MET  58          2HE       MET  58   8.869  15.569   4.576
  483   3HE   MET  58          3HE       MET  58   8.646  14.102   3.625
  484    H    ASN  59           H        ASN  59   3.994  12.426   0.290
  485    HA   ASN  59           HA       ASN  59   2.069  14.627   0.002
  486   1HB   ASN  59          2HB       ASN  59   4.169  13.531  -1.845
  487   2HB   ASN  59          1HB       ASN  59   2.802  14.431  -2.486
  488   1HD2  ASN  59          1HD2      ASN  59   4.130  16.082  -3.230
  489   2HD2  ASN  59          2HD2      ASN  59   4.874  17.218  -2.155
  490    H    ALA  60           H        ALA  60   0.132  14.262  -0.910
  491    HA   ALA  60           HA       ALA  60  -0.956  11.701  -0.547
  492   1HB   ALA  60          1HB       ALA  60  -3.032  12.660  -1.313
  493   2HB   ALA  60          2HB       ALA  60  -2.173  14.031  -2.017
  494   3HB   ALA  60          3HB       ALA  60  -2.195  13.806  -0.267
  495    H    GLU  61           H        GLU  61   0.192  13.317  -3.451
  496    HA   GLU  61           HA       GLU  61  -1.122  11.773  -5.366
  497   1HB   GLU  61          2HB       GLU  61   1.610  13.042  -5.540
  498   2HB   GLU  61          1HB       GLU  61   0.709  12.405  -6.909
  499   1HG   GLU  61          2HG       GLU  61   0.066  14.787  -5.208
  500   2HG   GLU  61          1HG       GLU  61   0.359  14.722  -6.944
  501    H    HIS  62           H        HIS  62   1.963  11.183  -3.738
  502    HA   HIS  62           HA       HIS  62   2.508   8.805  -5.252
  503   1HB   HIS  62          2HB       HIS  62   3.746   9.708  -2.640
  504   2HB   HIS  62          1HB       HIS  62   4.377   8.466  -3.713
  505    HD1  HIS  62           1HD      HIS  62   4.999   9.448  -6.221
  506    HD2  HIS  62           2HD      HIS  62   4.805  12.139  -3.065
  507    HE1  HIS  62           1HE      HIS  62   6.262  11.479  -6.991
  508    HE2  HIS  62           2HE      HIS  62   6.277  13.028  -5.003
  509    H    ARG  63           H        ARG  63   0.964   9.603  -2.247
  510    HA   ARG  63           HA       ARG  63   0.944   7.105  -0.992
  511   1HB   ARG  63          2HB       ARG  63   0.332   9.193   0.133
  512   2HB   ARG  63          1HB       ARG  63  -1.109   9.318  -0.866
  513   1HG   ARG  63          2HG       ARG  63  -1.749   7.036   0.131
  514   2HG   ARG  63          1HG       ARG  63  -0.512   7.390   1.340
  515   1HD   ARG  63          2HD       ARG  63  -2.901   9.096   0.684
  516   2HD   ARG  63          1HD       ARG  63  -2.708   8.092   2.121
  517    HE   ARG  63           HE       ARG  63  -0.640   9.624   2.464
  518   1HH1  ARG  63          1HH1      ARG  63  -3.748  10.602   1.189
  519   2HH1  ARG  63          2HH1      ARG  63  -3.605  12.237   1.751
  520   1HH2  ARG  63          1HH2      ARG  63  -0.454  11.747   3.228
  521   2HH2  ARG  63          2HH2      ARG  63  -1.737  12.884   2.944
  522    H    LYS  64           H        LYS  64  -1.555   8.612  -3.058
  523    HA   LYS  64           HA       LYS  64  -3.190   6.277  -3.012
  524   1HB   LYS  64          2HB       LYS  64  -4.557   7.370  -4.696
  525   2HB   LYS  64          1HB       LYS  64  -4.158   8.496  -3.408
  526   1HG   LYS  64          2HG       LYS  64  -2.769   9.756  -4.756
  527   2HG   LYS  64          1HG       LYS  64  -2.500   8.431  -5.892
  528   1HD   LYS  64          2HD       LYS  64  -4.793   8.627  -6.693
  529   2HD   LYS  64          1HD       LYS  64  -5.107   9.910  -5.526
  530   1HE   LYS  64          2HE       LYS  64  -2.944  10.123  -7.601
  531   2HE   LYS  64          1HE       LYS  64  -4.606  10.614  -7.921
  532   1HZ   LYS  64          1HZ       LYS  64  -3.054  12.417  -7.154
  533   2HZ   LYS  64          2HZ       LYS  64  -3.044  11.664  -5.635
  534   3HZ   LYS  64          3HZ       LYS  64  -4.489  12.262  -6.270
  535    H    LEU  65           H        LEU  65  -0.611   7.427  -5.073
  536    HA   LEU  65           HA       LEU  65  -1.106   5.751  -7.284
  537   1HB   LEU  65          2HB       LEU  65   0.524   7.710  -7.124
  538   2HB   LEU  65          1HB       LEU  65   1.629   6.603  -6.338
  539    HG   LEU  65           HG       LEU  65   0.523   5.925  -9.041
  540   1HD1  LEU  65          1HD1      LEU  65   1.378   8.192  -9.263
  541   2HD1  LEU  65          2HD1      LEU  65   2.441   7.038 -10.069
  542   3HD1  LEU  65          3HD1      LEU  65   2.890   7.705  -8.501
  543   1HD2  LEU  65          1HD2      LEU  65   2.665   4.763  -9.256
  544   2HD2  LEU  65          2HD2      LEU  65   1.765   4.209  -7.843
  545   3HD2  LEU  65          3HD2      LEU  65   3.123   5.317  -7.645
  546    H    LEU  66           H        LEU  66   0.877   5.291  -4.374
  547    HA   LEU  66           HA       LEU  66   1.748   2.684  -4.945
  548   1HB   LEU  66          2HB       LEU  66   2.693   4.141  -3.172
  549   2HB   LEU  66          1HB       LEU  66   1.224   3.937  -2.242
  550    HG   LEU  66           HG       LEU  66   2.840   1.524  -3.007
  551   1HD1  LEU  66          1HD1      LEU  66   4.446   3.062  -2.025
  552   2HD1  LEU  66          2HD1      LEU  66   4.091   1.740  -0.916
  553   3HD1  LEU  66          3HD1      LEU  66   3.374   3.328  -0.648
  554   1HD2  LEU  66          1HD2      LEU  66   0.638   1.186  -1.993
  555   2HD2  LEU  66          2HD2      LEU  66   1.118   2.177  -0.614
  556   3HD2  LEU  66          3HD2      LEU  66   1.928   0.641  -0.923
  557    H    GLU  67           H        GLU  67  -1.144   3.880  -3.275
  558    HA   GLU  67           HA       GLU  67  -2.063   1.356  -2.423
  559   1HB   GLU  67          2HB       GLU  67  -2.827   3.585  -1.541
  560   2HB   GLU  67          1HB       GLU  67  -3.775   3.773  -3.010
  561   1HG   GLU  67          2HG       GLU  67  -5.074   1.807  -2.462
  562   2HG   GLU  67          1HG       GLU  67  -4.084   1.527  -1.031
  563    H    GLN  68           H        GLN  68  -2.711   3.260  -5.335
  564    HA   GLN  68           HA       GLN  68  -4.627   1.629  -6.530
  565   1HB   GLN  68          2HB       GLN  68  -2.437   3.313  -7.740
  566   2HB   GLN  68          1HB       GLN  68  -3.657   2.500  -8.708
  567   1HG   GLN  68          2HG       GLN  68  -5.404   3.784  -7.729
  568   2HG   GLN  68          1HG       GLN  68  -4.305   4.473  -6.535
  569   1HE2  GLN  68          1HE2      GLN  68  -2.167   4.804  -8.524
  570   2HE2  GLN  68          2HE2      GLN  68  -2.624   6.169  -9.477
  571    H    GLU  69           H        GLU  69  -1.088   1.500  -6.806
  572    HA   GLU  69           HA       GLU  69  -0.961  -0.780  -8.455
  573   1HB   GLU  69          2HB       GLU  69   1.028   0.255  -6.430
  574   2HB   GLU  69          1HB       GLU  69   1.371  -0.976  -7.629
  575   1HG   GLU  69          2HG       GLU  69   0.886   0.684  -9.400
  576   2HG   GLU  69          1HG       GLU  69   0.711   1.908  -8.139
  577    H    MET  70           H        MET  70  -0.927  -0.370  -4.960
  578    HA   MET  70           HA       MET  70  -0.198  -2.948  -4.205
  579   1HB   MET  70          2HB       MET  70  -0.290  -0.874  -2.773
  580   2HB   MET  70          1HB       MET  70  -2.029  -1.100  -2.670
  581   1HG   MET  70          2HG       MET  70  -1.737  -3.195  -1.531
  582   2HG   MET  70          1HG       MET  70   0.012  -3.107  -1.745
  583   1HE   MET  70          1HE       MET  70  -0.139  -2.509   2.070
  584   2HE   MET  70          2HE       MET  70   0.661  -3.361   0.749
  585   3HE   MET  70          3HE       MET  70  -1.037  -3.676   1.102
  586    H    VAL  71           H        VAL  71  -3.437  -1.544  -4.573
  587    HA   VAL  71           HA       VAL  71  -4.831  -3.898  -3.842
  588    HB   VAL  71           HB       VAL  71  -5.795  -1.550  -5.483
  589   1HG1  VAL  71          1HG1      VAL  71  -7.238  -3.490  -5.764
  590   2HG1  VAL  71          2HG1      VAL  71  -8.043  -2.245  -4.808
  591   3HG1  VAL  71          3HG1      VAL  71  -7.361  -3.665  -4.015
  592   1HG2  VAL  71          1HG2      VAL  71  -6.764  -0.765  -3.359
  593   2HG2  VAL  71          2HG2      VAL  71  -5.003  -0.843  -3.311
  594   3HG2  VAL  71          3HG2      VAL  71  -5.963  -2.096  -2.524
  595    H    SER  72           H        SER  72  -3.695  -2.650  -6.946
  596    HA   SER  72           HA       SER  72  -5.253  -4.510  -8.473
  597   1HB   SER  72          2HB       SER  72  -3.785  -3.661 -10.373
  598   2HB   SER  72          1HB       SER  72  -4.770  -2.456  -9.543
  599    HG   SER  72           HG       SER  72  -3.022  -1.565  -8.721
  600    H    PHE  73           H        PHE  73  -2.238  -4.664  -6.870
  601    HA   PHE  73           HA       PHE  73  -1.363  -6.947  -8.479
  602   1HB   PHE  73          2HB       PHE  73   0.293  -5.192  -8.001
  603   2HB   PHE  73          1HB       PHE  73   0.068  -5.451  -6.276
  604    HD1  PHE  73           1HD      PHE  73   1.578  -6.718  -9.338
  605    HD2  PHE  73           2HD      PHE  73   0.960  -7.438  -5.191
  606    HE1  PHE  73           1HE      PHE  73   3.392  -8.375  -9.359
  607    HE2  PHE  73           2HE      PHE  73   2.770  -9.105  -5.206
  608    HZ   PHE  73           HZ       PHE  73   3.991  -9.571  -7.293
  609    H    LEU  74           H        LEU  74  -1.778  -6.114  -5.030
  610    HA   LEU  74           HA       LEU  74  -1.342  -8.809  -4.206
  611   1HB   LEU  74          2HB       LEU  74  -2.393  -6.405  -2.728
  612   2HB   LEU  74          1HB       LEU  74  -2.113  -7.960  -1.968
  613    HG   LEU  74           HG       LEU  74   0.017  -6.267  -3.286
  614   1HD1  LEU  74          1HD1      LEU  74  -0.592  -6.759  -0.375
  615   2HD1  LEU  74          2HD1      LEU  74  -0.818  -5.240  -1.242
  616   3HD1  LEU  74          3HD1      LEU  74   0.806  -5.884  -0.997
  617   1HD2  LEU  74          1HD2      LEU  74   1.578  -7.845  -2.259
  618   2HD2  LEU  74          2HD2      LEU  74   0.500  -8.664  -3.388
  619   3HD2  LEU  74          3HD2      LEU  74   0.224  -8.797  -1.652
  620    H    PHE  75           H        PHE  75  -4.201  -6.868  -4.846
  621    HA   PHE  75           HA       PHE  75  -5.901  -9.069  -3.936
  622   1HB   PHE  75          2HB       PHE  75  -6.505  -6.829  -3.141
  623   2HB   PHE  75          1HB       PHE  75  -6.623  -6.260  -4.803
  624    HD1  PHE  75           1HD      PHE  75  -8.694  -6.190  -5.797
  625    HD2  PHE  75           2HD      PHE  75  -8.036  -8.890  -2.576
  626    HE1  PHE  75           1HE      PHE  75 -11.071  -6.823  -5.846
  627    HE2  PHE  75           2HE      PHE  75 -10.410  -9.522  -2.614
  628    HZ   PHE  75           HZ       PHE  75 -11.932  -8.490  -4.253
  629    H    GLU  76           H        GLU  76  -5.200  -7.110  -6.781
  630    HA   GLU  76           HA       GLU  76  -5.613  -7.329  -8.984
  631   1HB   GLU  76          2HB       GLU  76  -5.826 -10.234  -8.221
  632   2HB   GLU  76          1HB       GLU  76  -5.972  -9.677  -9.881
  633   1HG   GLU  76          2HG       GLU  76  -3.683  -8.538  -9.424
  634   2HG   GLU  76          1HG       GLU  76  -3.585  -9.686  -8.091
  635    H    GLY  77           H        GLY  77  -7.425  -6.150  -9.244
  636   1HA   GLY  77          2HA       GLY  77  -9.613  -6.858 -10.438
  637   2HA   GLY  77          1HA       GLY  77 -10.002  -7.501  -8.851
  638    H    LYS  78           H        LYS  78  -8.494  -4.443  -9.905
  639    HA   LYS  78           HA       LYS  78 -10.761  -3.059  -8.635
  640   1HB   LYS  78          2HB       LYS  78  -9.264  -1.198  -8.113
  641   2HB   LYS  78          1HB       LYS  78  -8.726  -2.680  -7.346
  642   1HG   LYS  78          2HG       LYS  78  -6.744  -2.509  -8.304
  643   2HG   LYS  78          1HG       LYS  78  -7.472  -2.393  -9.905
  644   1HD   LYS  78          2HD       LYS  78  -6.167  -0.422  -9.545
  645   2HD   LYS  78          1HD       LYS  78  -7.866   0.028  -9.474
  646   1HE   LYS  78          2HE       LYS  78  -6.225  -0.542  -7.021
  647   2HE   LYS  78          1HE       LYS  78  -6.342   1.059  -7.735
  648   1HZ   LYS  78          1HZ       LYS  78  -8.794   0.885  -7.434
  649   2HZ   LYS  78          2HZ       LYS  78  -7.925   0.917  -5.987
  650   3HZ   LYS  78          3HZ       LYS  78  -8.553  -0.544  -6.562
  651    H    ASP  79           H        ASP  79 -11.069  -0.796  -9.571
  652    HA   ASP  79           HA       ASP  79 -11.249  -1.215 -12.459
  653   1HB   ASP  79          2HB       ASP  79 -13.065   0.422 -12.389
  654   2HB   ASP  79          1HB       ASP  79 -13.329  -0.855 -11.205
  655    H    VAL  80           H        VAL  80  -9.043   0.235 -10.652
  656    HA   VAL  80           HA       VAL  80  -8.966   2.734 -12.178
  657    HB   VAL  80           HB       VAL  80  -7.376   1.962  -9.724
  658   1HG1  VAL  80          1HG1      VAL  80  -7.568   4.603 -11.170
  659   2HG1  VAL  80          2HG1      VAL  80  -6.170   3.527 -11.163
  660   3HG1  VAL  80          3HG1      VAL  80  -6.691   4.306  -9.668
  661   1HG2  VAL  80          1HG2      VAL  80  -8.790   3.626  -8.583
  662   2HG2  VAL  80          2HG2      VAL  80  -9.719   2.261  -9.200
  663   3HG2  VAL  80          3HG2      VAL  80  -9.741   3.802 -10.057
  664    H    HIS  81           H        HIS  81  -7.688   2.868 -13.863
  665    HA   HIS  81           HA       HIS  81  -5.751   0.893 -14.534
  666   1HB   HIS  81          2HB       HIS  81  -6.994   2.134 -16.261
  667   2HB   HIS  81          1HB       HIS  81  -6.248   3.635 -15.730
  668    HD1  HIS  81           1HD      HIS  81  -5.621   0.592 -17.773
  669    HD2  HIS  81           2HD      HIS  81  -3.542   3.964 -16.511
  670    HE1  HIS  81           1HE      HIS  81  -3.544   0.677 -19.185
  671    HE2  HIS  81           2HE      HIS  81  -2.202   2.580 -18.241
  672    H    ILE  82           H        ILE  82  -3.600   0.869 -14.195
  673    HA   ILE  82           HA       ILE  82  -2.570   2.724 -12.246
  674    HB   ILE  82           HB       ILE  82  -1.175   0.424 -13.623
  675   1HG1  ILE  82          2HG1      ILE  82  -3.155  -0.322 -12.399
  676   2HG1  ILE  82          1HG1      ILE  82  -1.692  -0.829 -11.558
  677   1HG2  ILE  82          1HG2      ILE  82   0.367   0.521 -11.714
  678   2HG2  ILE  82          2HG2      ILE  82  -0.469   1.958 -11.125
  679   3HG2  ILE  82          3HG2      ILE  82   0.394   2.008 -12.662
  680   1HD1  ILE  82          1HD1      ILE  82  -3.460   1.494 -10.826
  681   2HD1  ILE  82          2HD1      ILE  82  -1.966   1.048 -10.000
  682   3HD1  ILE  82          3HD1      ILE  82  -3.345  -0.051  -9.985
  683    H    GLU  83           H        GLU  83  -1.487   4.482 -12.647
  684    HA   GLU  83           HA       GLU  83  -0.378   6.153 -13.662
  685   1HB   GLU  83          2HB       GLU  83   0.788   3.912 -15.314
  686   2HB   GLU  83          1HB       GLU  83   1.323   5.584 -15.412
  687   1HG   GLU  83          2HG       GLU  83   1.821   5.452 -12.948
  688   2HG   GLU  83          1HG       GLU  83   1.533   3.717 -13.069
  689    H    GLY  84           H        GLY  84  -2.384   6.984 -14.363
  690   1HA   GLY  84          2HA       GLY  84  -3.151   6.616 -17.124
  691   2HA   GLY  84          1HA       GLY  84  -3.852   7.760 -15.983
  692    H    TYR  85           H        TYR  85  -2.032   7.507 -18.716
  693    HA   TYR  85           HA       TYR  85  -0.112   9.574 -18.166
  694   1HB   TYR  85          2HB       TYR  85  -0.848   8.314 -20.814
  695   2HB   TYR  85          1HB       TYR  85   0.590   9.273 -20.482
  696    HD1  TYR  85           1HD      TYR  85  -0.975   6.009 -20.195
  697    HD2  TYR  85           2HD      TYR  85   2.400   8.341 -19.072
  698    HE1  TYR  85           1HE      TYR  85   0.227   3.953 -19.580
  699    HE2  TYR  85           2HE      TYR  85   3.614   6.293 -18.450
  700    HH   TYR  85           HH       TYR  85   2.502   3.169 -19.299
  701    H    THR  86           H        THR  86  -1.527  11.271 -17.557
  702    HA   THR  86           HA       THR  86  -2.993  12.519 -19.768
  703    HB   THR  86           HB       THR  86  -3.863  14.049 -17.930
  704    HG1  THR  86           1HG      THR  86  -2.180  13.452 -16.411
  705   1HG2  THR  86          1HG2      THR  86  -5.476  12.369 -17.100
  706   2HG2  THR  86          2HG2      THR  86  -4.460  11.092 -17.771
  707   3HG2  THR  86          3HG2      THR  86  -5.230  12.262 -18.843
  708    HA   PRO  87           HA       PRO  87   0.740  15.099 -19.692
  709   1HB   PRO  87          2HB       PRO  87   0.542  15.499 -22.488
  710   2HB   PRO  87          1HB       PRO  87   1.624  14.392 -21.645
  711   1HG   PRO  87          2HG       PRO  87  -0.494  13.664 -23.322
  712   2HG   PRO  87          1HG       PRO  87   0.359  12.597 -22.196
  713   1HD   PRO  87          2HD       PRO  87  -2.268  13.964 -21.892
  714   2HD   PRO  87          1HD       PRO  87  -1.724  12.395 -21.258
  715    H    GLU  88           H        GLU  88  -1.395  16.057 -22.365
  716    HA   GLU  88           HA       GLU  88  -1.237  18.805 -21.519
  717   1HB   GLU  88          2HB       GLU  88  -2.827  17.602 -23.792
  718   2HB   GLU  88          1HB       GLU  88  -2.469  19.307 -23.556
  719   1HG   GLU  88          2HG       GLU  88  -0.509  17.112 -24.182
  720   2HG   GLU  88          1HG       GLU  88  -1.018  18.427 -25.242
  721    H    ASP  89           H        ASP  89  -3.531  16.204 -21.373
  722    HA   ASP  89           HA       ASP  89  -5.678  17.881 -20.415
  723   1HB   ASP  89          2HB       ASP  89  -6.163  15.804 -21.670
  724   2HB   ASP  89          1HB       ASP  89  -5.389  14.864 -20.398
  725    H    LYS  90           H        LYS  90  -5.429  18.785 -18.459
  726    HA   LYS  90           HA       LYS  90  -3.970  17.321 -16.402
  727   1HB   LYS  90          2HB       LYS  90  -3.506  19.741 -16.760
  728   2HB   LYS  90          1HB       LYS  90  -5.157  20.099 -16.271
  729   1HG   LYS  90          2HG       LYS  90  -4.727  19.165 -14.068
  730   2HG   LYS  90          1HG       LYS  90  -3.083  18.760 -14.554
  731   1HD   LYS  90          2HD       LYS  90  -2.640  21.155 -14.939
  732   2HD   LYS  90          1HD       LYS  90  -4.262  21.524 -14.354
  733   1HE   LYS  90          2HE       LYS  90  -2.609  21.847 -12.594
  734   2HE   LYS  90          1HE       LYS  90  -3.714  20.535 -12.189
  735   1HZ   LYS  90          1HZ       LYS  90  -1.387  20.005 -11.695
  736   2HZ   LYS  90          2HZ       LYS  90  -0.996  20.173 -13.329
  737   3HZ   LYS  90          3HZ       LYS  90  -2.043  18.944 -12.835
  738    H    LYS  91           H        LYS  91  -4.954  16.166 -14.904
  739    HA   LYS  91           HA       LYS  91  -7.729  16.757 -14.206
  740   1HB   LYS  91          2HB       LYS  91  -7.511  14.985 -16.073
  741   2HB   LYS  91          1HB       LYS  91  -6.872  13.935 -14.818
  742   1HG   LYS  91          2HG       LYS  91  -9.209  13.497 -15.125
  743   2HG   LYS  91          1HG       LYS  91  -8.952  14.230 -13.543
  744   1HD   LYS  91          2HD       LYS  91 -10.893  15.237 -14.507
  745   2HD   LYS  91          1HD       LYS  91  -9.601  16.430 -14.538
  746   1HE   LYS  91          2HE       LYS  91 -10.289  14.697 -16.904
  747   2HE   LYS  91          1HE       LYS  91 -11.043  16.261 -16.617
  748   1HZ   LYS  91          1HZ       LYS  91  -8.564  17.040 -16.498
  749   2HZ   LYS  91          2HZ       LYS  91  -9.341  16.844 -17.983
  750   3HZ   LYS  91          3HZ       LYS  91  -8.284  15.646 -17.430
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  -1.866 -22.506  15.868
    2   2H    MET   1          2HT       MET   1  -2.891 -21.266  15.356
    3   3H    MET   1          3HT       MET   1  -1.709 -20.955  16.522
    4    HA   MET   1           HA       MET   1  -1.067 -20.080  14.365
    5   1HB   MET   1          2HB       MET   1   1.158 -21.086  14.263
    6   2HB   MET   1          1HB       MET   1   0.676 -20.844  15.936
    7   1HG   MET   1          2HG       MET   1   0.157 -23.185  16.173
    8   2HG   MET   1          1HG       MET   1   0.482 -23.461  14.462
    9   1HE   MET   1          1HE       MET   1   2.101 -25.453  15.056
   10   2HE   MET   1          2HE       MET   1   1.776 -25.204  16.771
   11   3HE   MET   1          3HE       MET   1   3.439 -25.325  16.198
   12    H    SER   2           H        SER   2   0.354 -21.158  12.413
   13    HA   SER   2           HA       SER   2   0.407 -22.339  10.488
   14   1HB   SER   2          2HB       SER   2   0.441 -24.321  11.980
   15   2HB   SER   2          1HB       SER   2  -1.321 -24.366  11.928
   16    HG   SER   2           HG       SER   2  -1.229 -25.272  10.035
   17    H    ARG   3           H        ARG   3  -0.659 -20.958   9.165
   18    HA   ARG   3           HA       ARG   3  -3.480 -21.593   8.678
   19   1HB   ARG   3          2HB       ARG   3  -3.840 -19.137   8.206
   20   2HB   ARG   3          1HB       ARG   3  -3.584 -19.555   9.892
   21   1HG   ARG   3          2HG       ARG   3  -1.152 -18.932   9.523
   22   2HG   ARG   3          1HG       ARG   3  -1.677 -18.223   7.997
   23   1HD   ARG   3          2HD       ARG   3  -2.745 -17.498  10.718
   24   2HD   ARG   3          1HD       ARG   3  -1.543 -16.573   9.822
   25    HE   ARG   3           HE       ARG   3  -4.130 -17.033   8.545
   26   1HH1  ARG   3          1HH1      ARG   3  -1.979 -14.851  10.241
   27   2HH1  ARG   3          2HH1      ARG   3  -2.822 -13.423   9.744
   28   1HH2  ARG   3          1HH2      ARG   3  -5.271 -15.165   7.925
   29   2HH2  ARG   3          2HH2      ARG   3  -4.714 -13.605   8.436
   30    H    THR   4           H        THR   4  -3.150 -22.746   6.850
   31    HA   THR   4           HA       THR   4  -1.728 -21.495   4.624
   32    HB   THR   4           HB       THR   4  -3.103 -24.190   4.653
   33    HG1  THR   4           1HG      THR   4  -0.639 -24.729   4.805
   34   1HG2  THR   4          1HG2      THR   4  -0.970 -23.016   2.861
   35   2HG2  THR   4          2HG2      THR   4  -2.653 -23.316   2.425
   36   3HG2  THR   4          3HG2      THR   4  -1.579 -24.669   2.774
   37    H    ILE   5           H        ILE   5  -2.799 -20.350   3.137
   38    HA   ILE   5           HA       ILE   5  -5.733 -20.575   3.111
   39    HB   ILE   5           HB       ILE   5  -5.748 -18.098   2.592
   40   1HG1  ILE   5          2HG1      ILE   5  -3.672 -16.951   3.724
   41   2HG1  ILE   5          1HG1      ILE   5  -2.854 -18.453   3.314
   42   1HG2  ILE   5          1HG2      ILE   5  -5.582 -17.455   4.944
   43   2HG2  ILE   5          2HG2      ILE   5  -4.748 -18.968   5.299
   44   3HG2  ILE   5          3HG2      ILE   5  -6.422 -18.993   4.747
   45   1HD1  ILE   5          1HD1      ILE   5  -3.391 -18.098   0.957
   46   2HD1  ILE   5          2HD1      ILE   5  -2.464 -16.757   1.633
   47   3HD1  ILE   5          3HD1      ILE   5  -4.200 -16.587   1.375
   48    H    PHE   6           H        PHE   6  -6.710 -19.547   1.148
   49    HA   PHE   6           HA       PHE   6  -5.243 -20.383  -1.227
   50   1HB   PHE   6          2HB       PHE   6  -7.608 -21.107  -0.895
   51   2HB   PHE   6          1HB       PHE   6  -8.104 -19.419  -0.940
   52    HD1  PHE   6           1HD      PHE   6  -8.411 -18.292  -2.988
   53    HD2  PHE   6           2HD      PHE   6  -6.625 -22.152  -2.921
   54    HE1  PHE   6           1HE      PHE   6  -8.627 -18.430  -5.430
   55    HE2  PHE   6           2HE      PHE   6  -6.840 -22.299  -5.364
   56    HZ   PHE   6           HZ       PHE   6  -7.841 -20.436  -6.624
   57    H    CYS   7           H        CYS   7  -3.841 -18.836  -1.848
   58    HA   CYS   7           HA       CYS   7  -4.274 -16.073  -1.310
   59   1HB   CYS   7          2HB       CYS   7  -2.015 -17.034  -1.417
   60   2HB   CYS   7          1HB       CYS   7  -2.244 -17.382  -3.127
   61    HG   CYS   7           HG       CYS   7  -2.689 -14.173  -2.227
   62    H    THR   8           H        THR   8  -5.148 -14.531  -2.520
   63    HA   THR   8           HA       THR   8  -6.826 -15.197  -4.666
   64    HB   THR   8           HB       THR   8  -6.918 -12.637  -4.928
   65    HG1  THR   8           1HG      THR   8  -6.010 -11.536  -3.111
   66   1HG2  THR   8          1HG2      THR   8  -8.262 -12.404  -2.900
   67   2HG2  THR   8          2HG2      THR   8  -7.552 -13.880  -2.246
   68   3HG2  THR   8          3HG2      THR   8  -8.579 -13.952  -3.679
   69    H    TYR   9           H        TYR   9  -3.697 -13.512  -4.599
   70    HA   TYR   9           HA       TYR   9  -3.628 -13.042  -7.394
   71   1HB   TYR   9          2HB       TYR   9  -2.328 -11.639  -5.918
   72   2HB   TYR   9          1HB       TYR   9  -1.424 -13.028  -5.322
   73    HD1  TYR   9           1HD      TYR   9  -2.079 -11.028  -8.387
   74    HD2  TYR   9           2HD      TYR   9   0.560 -13.692  -6.377
   75    HE1  TYR   9           1HE      TYR   9  -0.404 -10.695 -10.154
   76    HE2  TYR   9           2HE      TYR   9   2.242 -13.366  -8.139
   77    HH   TYR   9           HH       TYR   9   2.049 -10.901 -10.446
   78    H    LEU  10           H        LEU  10  -2.351 -15.636  -5.356
   79    HA   LEU  10           HA       LEU  10  -0.862 -16.777  -7.552
   80   1HB   LEU  10          2HB       LEU  10  -1.373 -17.829  -4.776
   81   2HB   LEU  10          1HB       LEU  10  -0.316 -18.581  -5.951
   82    HG   LEU  10           HG       LEU  10   0.086 -15.836  -4.755
   83   1HD1  LEU  10          1HD1      LEU  10   1.516 -18.439  -4.235
   84   2HD1  LEU  10          2HD1      LEU  10   0.442 -17.596  -3.118
   85   3HD1  LEU  10          3HD1      LEU  10   1.976 -16.865  -3.588
   86   1HD2  LEU  10          1HD2      LEU  10   2.286 -15.942  -5.840
   87   2HD2  LEU  10          2HD2      LEU  10   0.974 -15.985  -7.016
   88   3HD2  LEU  10          3HD2      LEU  10   1.832 -17.468  -6.598
   89    H    GLN  11           H        GLN  11  -3.971 -17.225  -6.079
   90    HA   GLN  11           HA       GLN  11  -5.724 -18.601  -6.510
   91   1HB   GLN  11          2HB       GLN  11  -4.243 -18.838  -9.125
   92   2HB   GLN  11          1HB       GLN  11  -5.763 -19.673  -8.836
   93   1HG   GLN  11          2HG       GLN  11  -5.347 -16.694  -8.716
   94   2HG   GLN  11          1HG       GLN  11  -6.086 -17.580 -10.048
   95   1HE2  GLN  11          1HE2      GLN  11  -6.511 -16.295  -6.885
   96   2HE2  GLN  11          2HE2      GLN  11  -8.202 -16.636  -6.737
   97    H    ARG  12           H        ARG  12  -3.480 -19.596  -5.089
   98    HA   ARG  12           HA       ARG  12  -3.850 -22.451  -5.398
   99   1HB   ARG  12          2HB       ARG  12  -1.282 -21.035  -5.997
  100   2HB   ARG  12          1HB       ARG  12  -1.222 -22.622  -5.248
  101   1HG   ARG  12          2HG       ARG  12  -2.166 -23.668  -7.092
  102   2HG   ARG  12          1HG       ARG  12  -2.826 -22.161  -7.729
  103   1HD   ARG  12          2HD       ARG  12   0.127 -22.669  -7.488
  104   2HD   ARG  12          1HD       ARG  12  -0.799 -23.105  -8.925
  105    HE   ARG  12           HE       ARG  12  -1.390 -20.455  -8.420
  106   1HH1  ARG  12          1HH1      ARG  12   1.522 -22.288  -9.086
  107   2HH1  ARG  12          2HH1      ARG  12   2.287 -20.988  -9.943
  108   1HH2  ARG  12          1HH2      ARG  12  -0.384 -18.760  -9.565
  109   2HH2  ARG  12          2HH2      ARG  12   1.210 -18.989 -10.214
  110    H    ASP  13           H        ASP  13  -2.450 -23.601  -3.650
  111    HA   ASP  13           HA       ASP  13  -3.134 -22.588  -1.111
  112   1HB   ASP  13          2HB       ASP  13  -1.033 -24.664  -1.776
  113   2HB   ASP  13          1HB       ASP  13  -1.753 -24.397  -0.194
  114    H    ALA  14           H        ALA  14  -2.114 -21.237   0.224
  115    HA   ALA  14           HA       ALA  14   0.732 -20.719  -0.170
  116   1HB   ALA  14          1HB       ALA  14   0.457 -18.362  -0.330
  117   2HB   ALA  14          2HB       ALA  14  -1.285 -18.490  -0.088
  118   3HB   ALA  14          3HB       ALA  14  -0.550 -19.109  -1.568
  119    H    GLU  15           H        GLU  15   1.524 -19.161   1.571
  120    HA   GLU  15           HA       GLU  15   0.460 -20.154   4.097
  121   1HB   GLU  15          2HB       GLU  15   2.911 -20.333   3.537
  122   2HB   GLU  15          1HB       GLU  15   2.993 -18.578   3.621
  123   1HG   GLU  15          2HG       GLU  15   2.149 -18.737   5.968
  124   2HG   GLU  15          1HG       GLU  15   2.334 -20.485   5.846
  125    H    GLY  16           H        GLY  16  -0.835 -18.938   5.271
  126   1HA   GLY  16          2HA       GLY  16  -1.548 -16.296   4.617
  127   2HA   GLY  16          1HA       GLY  16  -1.907 -17.107   6.138
  128    H    GLN  17           H        GLN  17  -1.012 -14.337   5.504
  129    HA   GLN  17           HA       GLN  17   1.709 -14.133   6.361
  130   1HB   GLN  17          2HB       GLN  17  -0.432 -12.039   6.006
  131   2HB   GLN  17          1HB       GLN  17   1.252 -11.688   6.331
  132   1HG   GLN  17          2HG       GLN  17   1.790 -12.963   4.220
  133   2HG   GLN  17          1HG       GLN  17   0.061 -12.940   3.883
  134   1HE2  GLN  17          1HE2      GLN  17   1.880 -10.357   5.415
  135   2HE2  GLN  17          2HE2      GLN  17   1.691  -9.216   4.137
  136    H    ASP  18           H        ASP  18   1.543 -11.869   8.027
  137    HA   ASP  18           HA       ASP  18   1.248 -13.149  10.557
  138   1HB   ASP  18          2HB       ASP  18   1.885 -10.300   9.792
  139   2HB   ASP  18          1HB       ASP  18   1.899 -10.893  11.449
  140    H    PHE  19           H        PHE  19   0.282 -11.130  12.206
  141    HA   PHE  19           HA       PHE  19  -2.566 -11.493  11.635
  142   1HB   PHE  19          2HB       PHE  19  -1.681 -12.530  13.686
  143   2HB   PHE  19          1HB       PHE  19  -1.164 -10.950  14.257
  144    HD1  PHE  19           1HD      PHE  19  -4.351 -12.222  12.769
  145    HD2  PHE  19           2HD      PHE  19  -2.425 -10.295  16.040
  146    HE1  PHE  19           1HE      PHE  19  -6.528 -11.916  13.870
  147    HE2  PHE  19           2HE      PHE  19  -4.599  -9.986  17.142
  148    HZ   PHE  19           HZ       PHE  19  -6.653 -10.801  16.058
  149    H    GLN  20           H        GLN  20  -1.361  -9.172  13.953
  150    HA   GLN  20           HA       GLN  20  -2.175  -6.962  12.205
  151   1HB   GLN  20          2HB       GLN  20  -2.959  -7.217  15.120
  152   2HB   GLN  20          1HB       GLN  20  -3.343  -5.872  14.058
  153   1HG   GLN  20          2HG       GLN  20  -4.279  -8.630  13.384
  154   2HG   GLN  20          1HG       GLN  20  -5.138  -7.669  14.584
  155   1HE2  GLN  20          1HE2      GLN  20  -3.582  -6.264  11.773
  156   2HE2  GLN  20          2HE2      GLN  20  -5.033  -5.811  10.961
  157    H    LEU  21           H        LEU  21  -0.372  -5.835  11.942
  158    HA   LEU  21           HA       LEU  21   1.588  -5.796  14.123
  159   1HB   LEU  21          2HB       LEU  21   2.033  -5.093  11.222
  160   2HB   LEU  21          1HB       LEU  21   3.262  -5.303  12.451
  161    HG   LEU  21           HG       LEU  21   2.334  -7.749  12.574
  162   1HD1  LEU  21          1HD1      LEU  21   1.477  -8.563  10.447
  163   2HD1  LEU  21          2HD1      LEU  21   1.474  -6.921   9.804
  164   3HD1  LEU  21          3HD1      LEU  21   0.399  -7.350  11.133
  165   1HD2  LEU  21          1HD2      LEU  21   3.935  -8.432  10.887
  166   2HD2  LEU  21          2HD2      LEU  21   4.583  -7.092  11.832
  167   3HD2  LEU  21          3HD2      LEU  21   3.952  -6.804  10.210
  168    H    TYR  22           H        TYR  22   0.994  -3.613  11.409
  169    HA   TYR  22           HA       TYR  22   0.711  -1.436  13.339
  170   1HB   TYR  22          2HB       TYR  22   1.681   0.091  11.661
  171   2HB   TYR  22          1HB       TYR  22   2.797  -1.168  12.163
  172    HD1  TYR  22           1HD      TYR  22   1.018   0.331   9.398
  173    HD2  TYR  22           2HD      TYR  22   3.288  -3.064  10.599
  174    HE1  TYR  22           1HE      TYR  22   1.401  -0.244   7.040
  175    HE2  TYR  22           2HE      TYR  22   3.681  -3.643   8.242
  176    HH   TYR  22           HH       TYR  22   3.034  -1.513   5.696
  177    HA   PRO  23           HA       PRO  23  -2.721  -0.696  10.197
  178   1HB   PRO  23          2HB       PRO  23  -3.438  -2.540   8.404
  179   2HB   PRO  23          1HB       PRO  23  -2.093  -1.436   8.093
  180   1HG   PRO  23          2HG       PRO  23  -2.048  -4.307   8.860
  181   2HG   PRO  23          1HG       PRO  23  -0.930  -3.398   7.831
  182   1HD   PRO  23          2HD       PRO  23  -0.552  -4.069  10.539
  183   2HD   PRO  23          1HD       PRO  23   0.413  -2.923   9.589
  184    H    GLY  24           H        GLY  24  -5.034  -1.607   9.869
  185   1HA   GLY  24          2HA       GLY  24  -5.563  -3.419  12.140
  186   2HA   GLY  24          1HA       GLY  24  -6.630  -2.112  11.645
  187    H    GLU  25           H        GLU  25  -8.381  -2.765  10.648
  188    HA   GLU  25           HA       GLU  25  -8.803  -5.444   9.923
  189   1HB   GLU  25          2HB       GLU  25 -10.379  -2.940   9.349
  190   2HB   GLU  25          1HB       GLU  25 -10.940  -4.552   8.921
  191   1HG   GLU  25          2HG       GLU  25 -10.291  -3.601  11.700
  192   2HG   GLU  25          1HG       GLU  25 -11.908  -3.793  11.019
  193    H    LEU  26           H        LEU  26  -8.189  -2.570   7.933
  194    HA   LEU  26           HA       LEU  26  -8.596  -3.862   5.452
  195   1HB   LEU  26          2HB       LEU  26  -8.614  -1.427   5.689
  196   2HB   LEU  26          1HB       LEU  26  -6.917  -1.446   6.130
  197    HG   LEU  26           HG       LEU  26  -6.357  -2.298   3.882
  198   1HD1  LEU  26          1HD1      LEU  26  -8.448  -3.425   3.360
  199   2HD1  LEU  26          2HD1      LEU  26  -8.052  -2.238   2.117
  200   3HD1  LEU  26          3HD1      LEU  26  -9.288  -1.874   3.321
  201   1HD2  LEU  26          1HD2      LEU  26  -7.980   0.244   3.895
  202   2HD2  LEU  26          2HD2      LEU  26  -6.782  -0.212   2.684
  203   3HD2  LEU  26          3HD2      LEU  26  -6.281   0.095   4.347
  204    H    GLY  27           H        GLY  27  -5.768  -3.375   7.495
  205   1HA   GLY  27          2HA       GLY  27  -3.855  -4.481   5.727
  206   2HA   GLY  27          1HA       GLY  27  -3.690  -4.362   7.475
  207    H    LYS  28           H        LYS  28  -5.703  -5.926   8.398
  208    HA   LYS  28           HA       LYS  28  -4.659  -8.519   8.159
  209   1HB   LYS  28          2HB       LYS  28  -5.933  -7.668  10.116
  210   2HB   LYS  28          1HB       LYS  28  -7.398  -7.699   9.147
  211   1HG   LYS  28          2HG       LYS  28  -7.276 -10.087   8.946
  212   2HG   LYS  28          1HG       LYS  28  -5.716 -10.117   9.765
  213   1HD   LYS  28          2HD       LYS  28  -7.160 -10.706  11.471
  214   2HD   LYS  28          1HD       LYS  28  -7.015  -8.966  11.707
  215   1HE   LYS  28          2HE       LYS  28  -9.247 -10.269  10.158
  216   2HE   LYS  28          1HE       LYS  28  -9.345  -9.888  11.874
  217   1HZ   LYS  28          1HZ       LYS  28  -8.989  -7.952   9.652
  218   2HZ   LYS  28          2HZ       LYS  28  -8.965  -7.539  11.296
  219   3HZ   LYS  28          3HZ       LYS  28 -10.373  -8.162  10.596
  220    H    ARG  29           H        ARG  29  -7.298  -6.879   6.540
  221    HA   ARG  29           HA       ARG  29  -8.485  -9.081   5.285
  222   1HB   ARG  29          2HB       ARG  29  -9.455  -6.792   5.385
  223   2HB   ARG  29          1HB       ARG  29  -8.262  -6.266   4.205
  224   1HG   ARG  29          2HG       ARG  29  -9.172  -7.833   2.576
  225   2HG   ARG  29          1HG       ARG  29 -10.364  -8.377   3.760
  226   1HD   ARG  29          2HD       ARG  29 -11.270  -6.092   3.863
  227   2HD   ARG  29          1HD       ARG  29 -10.107  -5.588   2.639
  228    HE   ARG  29           HE       ARG  29 -11.454  -7.704   1.520
  229   1HH1  ARG  29          1HH1      ARG  29 -12.365  -4.598   2.853
  230   2HH1  ARG  29          2HH1      ARG  29 -13.733  -4.407   1.811
  231   1HH2  ARG  29          1HH2      ARG  29 -13.269  -7.464   0.149
  232   2HH2  ARG  29          2HH2      ARG  29 -14.252  -6.039   0.275
  233    H    ILE  30           H        ILE  30  -5.716  -7.089   4.357
  234    HA   ILE  30           HA       ILE  30  -5.365  -8.472   1.859
  235    HB   ILE  30           HB       ILE  30  -3.389  -6.735   3.352
  236   1HG1  ILE  30          2HG1      ILE  30  -5.302  -6.022   1.114
  237   2HG1  ILE  30          1HG1      ILE  30  -5.511  -5.569   2.803
  238   1HG2  ILE  30          1HG2      ILE  30  -2.289  -8.131   1.715
  239   2HG2  ILE  30          2HG2      ILE  30  -2.347  -6.471   1.120
  240   3HG2  ILE  30          3HG2      ILE  30  -3.469  -7.674   0.487
  241   1HD1  ILE  30          1HD1      ILE  30  -3.459  -4.250   2.700
  242   2HD1  ILE  30          2HD1      ILE  30  -4.636  -3.722   1.497
  243   3HD1  ILE  30          3HD1      ILE  30  -3.255  -4.703   1.008
  244    H    TYR  31           H        TYR  31  -4.022  -8.696   5.108
  245    HA   TYR  31           HA       TYR  31  -1.847 -10.367   4.518
  246   1HB   TYR  31          2HB       TYR  31  -3.394  -9.981   7.075
  247   2HB   TYR  31          1HB       TYR  31  -1.926 -10.941   6.967
  248    HD1  TYR  31           1HD      TYR  31  -2.523  -8.407   8.663
  249    HD2  TYR  31           2HD      TYR  31  -0.550  -9.008   4.941
  250    HE1  TYR  31           1HE      TYR  31  -1.179  -6.386   9.052
  251    HE2  TYR  31           2HE      TYR  31   0.795  -6.988   5.318
  252    HH   TYR  31           HH       TYR  31   0.725  -4.932   6.602
  253    H    ASN  32           H        ASN  32  -5.220 -11.159   4.837
  254    HA   ASN  32           HA       ASN  32  -4.464 -13.980   5.070
  255   1HB   ASN  32          2HB       ASN  32  -6.566 -14.496   5.955
  256   2HB   ASN  32          1HB       ASN  32  -6.156 -12.957   6.690
  257   1HD2  ASN  32          1HD2      ASN  32  -6.860 -11.454   4.231
  258   2HD2  ASN  32          2HD2      ASN  32  -8.580 -11.462   4.170
  259    H    GLU  33           H        GLU  33  -5.069 -11.869   2.654
  260    HA   GLU  33           HA       GLU  33  -6.310 -13.917   0.932
  261   1HB   GLU  33          2HB       GLU  33  -5.850 -10.980   0.357
  262   2HB   GLU  33          1HB       GLU  33  -6.677 -12.118  -0.695
  263   1HG   GLU  33          2HG       GLU  33  -7.607 -11.276   2.034
  264   2HG   GLU  33          1HG       GLU  33  -8.208 -10.640   0.508
  265    H    ILE  34           H        ILE  34  -3.489 -11.966   1.466
  266    HA   ILE  34           HA       ILE  34  -2.216 -13.060  -0.933
  267    HB   ILE  34           HB       ILE  34  -1.786 -10.553   0.647
  268   1HG1  ILE  34          2HG1      ILE  34  -3.297 -10.583  -1.305
  269   2HG1  ILE  34          1HG1      ILE  34  -1.915  -9.522  -1.548
  270   1HG2  ILE  34          1HG2      ILE  34   0.439 -11.541   0.488
  271   2HG2  ILE  34          2HG2      ILE  34   0.304 -10.120  -0.547
  272   3HG2  ILE  34          3HG2      ILE  34   0.237 -11.734  -1.252
  273   1HD1  ILE  34          1HD1      ILE  34  -2.289 -12.279  -2.688
  274   2HD1  ILE  34          2HD1      ILE  34  -0.820 -11.318  -2.848
  275   3HD1  ILE  34          3HD1      ILE  34  -2.330 -10.748  -3.562
  276    H    SER  35           H        SER  35  -0.358 -14.174  -0.831
  277    HA   SER  35           HA       SER  35   0.377 -15.350   1.691
  278   1HB   SER  35          2HB       SER  35   0.296 -16.566  -0.541
  279   2HB   SER  35          1HB       SER  35   1.764 -15.689  -0.972
  280    HG   SER  35           HG       SER  35   2.749 -17.286   0.011
  281    H    LYS  36           H        LYS  36   2.442 -15.228   2.628
  282    HA   LYS  36           HA       LYS  36   3.760 -12.792   2.741
  283   1HB   LYS  36          2HB       LYS  36   4.883 -15.558   3.232
  284   2HB   LYS  36          1HB       LYS  36   5.677 -14.062   3.701
  285   1HG   LYS  36          2HG       LYS  36   3.881 -13.538   5.227
  286   2HG   LYS  36          1HG       LYS  36   2.982 -14.962   4.696
  287   1HD   LYS  36          2HD       LYS  36   4.782 -16.400   5.509
  288   2HD   LYS  36          1HD       LYS  36   5.681 -14.981   6.044
  289   1HE   LYS  36          2HE       LYS  36   3.908 -14.436   7.617
  290   2HE   LYS  36          1HE       LYS  36   2.961 -15.813   7.046
  291   1HZ   LYS  36          1HZ       LYS  36   4.808 -17.264   7.768
  292   2HZ   LYS  36          2HZ       LYS  36   4.076 -16.429   9.045
  293   3HZ   LYS  36          3HZ       LYS  36   5.573 -15.913   8.454
  294    H    ASP  37           H        ASP  37   4.116 -15.435   0.508
  295    HA   ASP  37           HA       ASP  37   6.556 -14.761  -0.703
  296   1HB   ASP  37          2HB       ASP  37   4.130 -15.998  -2.033
  297   2HB   ASP  37          1HB       ASP  37   5.794 -16.092  -2.601
  298    H    ALA  38           H        ALA  38   3.256 -14.065  -1.835
  299    HA   ALA  38           HA       ALA  38   4.053 -12.389  -3.949
  300   1HB   ALA  38          1HB       ALA  38   1.896 -13.462  -3.975
  301   2HB   ALA  38          2HB       ALA  38   1.674 -11.712  -4.025
  302   3HB   ALA  38          3HB       ALA  38   1.410 -12.592  -2.521
  303    H    TRP  39           H        TRP  39   3.154 -11.724  -0.599
  304    HA   TRP  39           HA       TRP  39   3.074  -8.928  -0.724
  305   1HB   TRP  39          2HB       TRP  39   2.332 -10.244   1.229
  306   2HB   TRP  39          1HB       TRP  39   3.999 -10.695   1.554
  307    HD1  TRP  39           HD       TRP  39   5.529  -8.934   2.786
  308    HE1  TRP  39           1HE      TRP  39   5.028  -6.725   4.008
  309    HE3  TRP  39           3HE      TRP  39   0.760  -8.145   1.124
  310    HZ2  TRP  39           2HZ      TRP  39   2.899  -4.897   4.235
  311    HZ3  TRP  39           3HZ      TRP  39  -0.438  -6.142   1.894
  312    HH2  TRP  39           HH       TRP  39   0.611  -4.553   3.418
  313    H    ALA  40           H        ALA  40   5.769 -11.127   0.008
  314    HA   ALA  40           HA       ALA  40   7.755  -9.181   0.323
  315   1HB   ALA  40          1HB       ALA  40   8.056 -11.502   1.004
  316   2HB   ALA  40          2HB       ALA  40   9.350 -10.984  -0.077
  317   3HB   ALA  40          3HB       ALA  40   8.047 -12.005  -0.686
  318    H    GLN  41           H        GLN  41   6.802 -11.037  -2.561
  319    HA   GLN  41           HA       GLN  41   8.661 -10.014  -4.360
  320   1HB   GLN  41          2HB       GLN  41   5.784 -10.714  -4.975
  321   2HB   GLN  41          1HB       GLN  41   7.101 -10.626  -6.133
  322   1HG   GLN  41          2HG       GLN  41   8.206 -12.495  -4.957
  323   2HG   GLN  41          1HG       GLN  41   6.801 -12.610  -3.895
  324   1HE2  GLN  41          1HE2      GLN  41   4.960 -11.943  -6.093
  325   2HE2  GLN  41          2HE2      GLN  41   4.844 -13.375  -7.052
  326    H    TRP  42           H        TRP  42   5.438  -8.785  -3.534
  327    HA   TRP  42           HA       TRP  42   5.475  -6.707  -5.450
  328   1HB   TRP  42          2HB       TRP  42   3.370  -7.539  -4.588
  329   2HB   TRP  42          1HB       TRP  42   3.808  -7.056  -2.952
  330    HD1  TRP  42           HD       TRP  42   2.515  -4.971  -2.262
  331    HE1  TRP  42           1HE      TRP  42   1.718  -2.820  -3.423
  332    HE3  TRP  42           3HE      TRP  42   4.226  -5.907  -6.991
  333    HZ2  TRP  42           2HZ      TRP  42   1.805  -1.672  -5.986
  334    HZ3  TRP  42           3HZ      TRP  42   3.829  -4.225  -8.741
  335    HH2  TRP  42           HH       TRP  42   2.642  -2.153  -8.246
  336    H    GLN  43           H        GLN  43   5.958  -6.656  -1.912
  337    HA   GLN  43           HA       GLN  43   6.370  -3.850  -1.875
  338   1HB   GLN  43          2HB       GLN  43   6.956  -5.966   0.183
  339   2HB   GLN  43          1HB       GLN  43   7.153  -4.243   0.472
  340   1HG   GLN  43          2HG       GLN  43   4.575  -5.601  -0.287
  341   2HG   GLN  43          1HG       GLN  43   5.032  -5.109   1.341
  342   1HE2  GLN  43          1HE2      GLN  43   3.338  -3.698   1.601
  343   2HE2  GLN  43          2HE2      GLN  43   3.209  -2.211   0.734
  344    H    HIS  44           H        HIS  44   8.563  -6.564  -2.244
  345    HA   HIS  44           HA       HIS  44  10.979  -5.153  -1.833
  346   1HB   HIS  44          2HB       HIS  44  10.256  -7.593  -3.434
  347   2HB   HIS  44          1HB       HIS  44  11.868  -6.902  -3.556
  348    HD1  HIS  44           1HD      HIS  44  10.198  -6.875  -0.215
  349    HD2  HIS  44           2HD      HIS  44  12.931  -9.199  -2.313
  350    HE1  HIS  44           1HE      HIS  44  11.217  -8.419   1.485
  351    HE2  HIS  44           2HE      HIS  44  12.753  -9.912   0.164
  352    H    LYS  45           H        LYS  45   8.990  -5.681  -4.695
  353    HA   LYS  45           HA       LYS  45  10.686  -4.262  -6.488
  354   1HB   LYS  45          2HB       LYS  45   8.730  -6.031  -6.861
  355   2HB   LYS  45          1HB       LYS  45   7.764  -4.575  -7.013
  356   1HG   LYS  45          2HG       LYS  45  10.179  -5.263  -8.676
  357   2HG   LYS  45          1HG       LYS  45   8.496  -5.413  -9.179
  358   1HD   LYS  45          2HD       LYS  45   8.209  -2.998  -8.937
  359   2HD   LYS  45          1HD       LYS  45   9.892  -2.849  -8.428
  360   1HE   LYS  45          2HE       LYS  45   9.670  -2.257 -10.768
  361   2HE   LYS  45          1HE       LYS  45  10.616  -3.735 -10.599
  362   1HZ   LYS  45          1HZ       LYS  45   7.721  -3.670 -11.255
  363   2HZ   LYS  45          2HZ       LYS  45   8.733  -5.025 -11.252
  364   3HZ   LYS  45          3HZ       LYS  45   8.956  -3.805 -12.400
  365    H    GLN  46           H        GLN  46   7.697  -3.460  -4.762
  366    HA   GLN  46           HA       GLN  46   7.275  -0.930  -5.872
  367   1HB   GLN  46          2HB       GLN  46   5.614  -2.266  -4.567
  368   2HB   GLN  46          1HB       GLN  46   6.491  -1.851  -3.102
  369   1HG   GLN  46          2HG       GLN  46   4.561  -0.437  -3.338
  370   2HG   GLN  46          1HG       GLN  46   6.031   0.520  -3.516
  371   1HE2  GLN  46          1HE2      GLN  46   4.903   2.125  -4.614
  372   2HE2  GLN  46          2HE2      GLN  46   4.358   1.934  -6.247
  373    H    THR  47           H        THR  47   8.835  -1.807  -2.778
  374    HA   THR  47           HA       THR  47   9.518   0.793  -1.993
  375    HB   THR  47           HB       THR  47  11.070  -1.731  -1.375
  376    HG1  THR  47           1HG      THR  47   9.065  -2.174  -0.648
  377   1HG2  THR  47          1HG2      THR  47  10.785   0.853   0.167
  378   2HG2  THR  47          2HG2      THR  47  12.210   0.360  -0.747
  379   3HG2  THR  47          3HG2      THR  47  11.711  -0.564   0.669
  380    H    MET  48           H        MET  48  11.189  -1.531  -4.044
  381    HA   MET  48           HA       MET  48  13.597  -0.160  -4.421
  382   1HB   MET  48          2HB       MET  48  13.294  -2.445  -5.169
  383   2HB   MET  48          1HB       MET  48  12.030  -1.952  -6.285
  384   1HG   MET  48          2HG       MET  48  13.694  -0.653  -7.554
  385   2HG   MET  48          1HG       MET  48  14.949  -1.239  -6.461
  386   1HE   MET  48          1HE       MET  48  16.323  -2.119  -8.566
  387   2HE   MET  48          2HE       MET  48  15.049  -1.556  -9.648
  388   3HE   MET  48          3HE       MET  48  15.654  -3.206  -9.781
  389    H    LEU  49           H        LEU  49  10.541   0.015  -6.219
  390    HA   LEU  49           HA       LEU  49  11.432   1.902  -8.123
  391   1HB   LEU  49          2HB       LEU  49   8.661   1.188  -7.184
  392   2HB   LEU  49          1HB       LEU  49   8.984   2.262  -8.529
  393    HG   LEU  49           HG       LEU  49   9.593  -0.679  -8.344
  394   1HD1  LEU  49          1HD1      LEU  49   8.141  -0.794 -10.315
  395   2HD1  LEU  49          2HD1      LEU  49   7.855   0.943 -10.196
  396   3HD1  LEU  49          3HD1      LEU  49   7.307  -0.133  -8.911
  397   1HD2  LEU  49          1HD2      LEU  49  10.480   1.328 -10.407
  398   2HD2  LEU  49          2HD2      LEU  49  10.494  -0.414 -10.661
  399   3HD2  LEU  49          3HD2      LEU  49  11.498   0.301  -9.400
  400    H    ILE  50           H        ILE  50   9.889   2.254  -4.981
  401    HA   ILE  50           HA       ILE  50   9.319   5.005  -5.127
  402    HB   ILE  50           HB       ILE  50  10.018   3.355  -2.689
  403   1HG1  ILE  50          2HG1      ILE  50   7.332   4.140  -3.839
  404   2HG1  ILE  50          1HG1      ILE  50   8.064   2.546  -3.983
  405   1HG2  ILE  50          1HG2      ILE  50   8.681   6.050  -2.892
  406   2HG2  ILE  50          2HG2      ILE  50  10.283   5.728  -2.231
  407   3HG2  ILE  50          3HG2      ILE  50   8.850   5.103  -1.414
  408   1HD1  ILE  50          1HD1      ILE  50   7.979   2.308  -1.545
  409   2HD1  ILE  50          2HD1      ILE  50   6.382   2.568  -2.247
  410   3HD1  ILE  50          3HD1      ILE  50   7.213   3.892  -1.429
  411    H    ASN  51           H        ASN  51  12.242   3.262  -4.220
  412    HA   ASN  51           HA       ASN  51  13.641   5.655  -3.439
  413   1HB   ASN  51          2HB       ASN  51  14.424   2.774  -3.739
  414   2HB   ASN  51          1HB       ASN  51  15.655   4.015  -3.530
  415   1HD2  ASN  51          1HD2      ASN  51  13.043   2.282  -2.046
  416   2HD2  ASN  51          2HD2      ASN  51  13.360   2.806  -0.427
  417    H    GLU  52           H        GLU  52  13.466   3.565  -6.247
  418    HA   GLU  52           HA       GLU  52  15.565   4.656  -7.743
  419   1HB   GLU  52          2HB       GLU  52  14.437   2.575  -8.363
  420   2HB   GLU  52          1HB       GLU  52  12.953   3.459  -8.677
  421   1HG   GLU  52          2HG       GLU  52  14.118   4.692 -10.472
  422   2HG   GLU  52          1HG       GLU  52  15.535   3.679 -10.202
  423    H    LYS  53           H        LYS  53  12.095   5.424  -7.807
  424    HA   LYS  53           HA       LYS  53  12.595   7.635  -9.631
  425   1HB   LYS  53          2HB       LYS  53  10.039   6.439  -8.560
  426   2HB   LYS  53          1HB       LYS  53  10.104   7.767  -9.713
  427   1HG   LYS  53          2HG       LYS  53  11.186   6.363 -11.341
  428   2HG   LYS  53          1HG       LYS  53  11.294   5.042 -10.175
  429   1HD   LYS  53          2HD       LYS  53   8.687   6.246 -11.082
  430   2HD   LYS  53          1HD       LYS  53   9.434   4.853 -11.863
  431   1HE   LYS  53          2HE       LYS  53   9.439   3.745  -9.597
  432   2HE   LYS  53          1HE       LYS  53   8.431   5.074  -9.032
  433   1HZ   LYS  53          1HZ       LYS  53   7.064   3.213  -9.661
  434   2HZ   LYS  53          2HZ       LYS  53   7.763   3.160 -11.199
  435   3HZ   LYS  53          3HZ       LYS  53   6.807   4.478 -10.753
  436    H    LYS  54           H        LYS  54  12.649   7.289  -6.367
  437    HA   LYS  54           HA       LYS  54  12.580   8.715  -4.596
  438   1HB   LYS  54          2HB       LYS  54  12.846  10.807  -6.765
  439   2HB   LYS  54          1HB       LYS  54  13.116  11.083  -5.051
  440   1HG   LYS  54          2HG       LYS  54  14.704   9.205  -6.789
  441   2HG   LYS  54          1HG       LYS  54  15.208  10.820  -6.289
  442   1HD   LYS  54          2HD       LYS  54  15.100  10.094  -3.933
  443   2HD   LYS  54          1HD       LYS  54  14.668   8.470  -4.473
  444   1HE   LYS  54          2HE       LYS  54  17.230   9.936  -5.097
  445   2HE   LYS  54          1HE       LYS  54  17.044   8.606  -3.956
  446   1HZ   LYS  54          1HZ       LYS  54  16.328   7.209  -5.836
  447   2HZ   LYS  54          2HZ       LYS  54  17.915   7.772  -6.004
  448   3HZ   LYS  54          3HZ       LYS  54  16.669   8.483  -6.897
  449    H    LEU  55           H        LEU  55  10.137   7.824  -5.273
  450    HA   LEU  55           HA       LEU  55   8.202   9.819  -5.836
  451   1HB   LEU  55          2HB       LEU  55   7.831   7.175  -4.428
  452   2HB   LEU  55          1HB       LEU  55   6.558   8.155  -5.128
  453    HG   LEU  55           HG       LEU  55   8.769   6.773  -6.651
  454   1HD1  LEU  55          1HD1      LEU  55   7.149   5.201  -5.814
  455   2HD1  LEU  55          2HD1      LEU  55   6.913   5.411  -7.549
  456   3HD1  LEU  55          3HD1      LEU  55   5.821   6.196  -6.406
  457   1HD2  LEU  55          1HD2      LEU  55   8.160   8.835  -7.758
  458   2HD2  LEU  55          2HD2      LEU  55   6.447   8.443  -7.617
  459   3HD2  LEU  55          3HD2      LEU  55   7.490   7.468  -8.651
  460    H    ASN  56           H        ASN  56   7.668  11.463  -4.547
  461    HA   ASN  56           HA       ASN  56   8.106  11.258  -1.685
  462   1HB   ASN  56          2HB       ASN  56   7.751  13.596  -1.555
  463   2HB   ASN  56          1HB       ASN  56   8.642  13.352  -3.050
  464   1HD2  ASN  56          1HD2      ASN  56   7.663  13.811  -5.000
  465   2HD2  ASN  56          2HD2      ASN  56   6.134  14.618  -5.111
  466    H    MET  57           H        MET  57   6.549  11.221  -0.140
  467    HA   MET  57           HA       MET  57   3.856  10.551  -1.079
  468   1HB   MET  57          2HB       MET  57   5.116  10.170   1.645
  469   2HB   MET  57          1HB       MET  57   3.519   9.609   1.166
  470   1HG   MET  57          2HG       MET  57   6.146   8.695   0.017
  471   2HG   MET  57          1HG       MET  57   5.112   7.789   1.122
  472   1HE   MET  57          1HE       MET  57   4.886   5.960  -2.410
  473   2HE   MET  57          2HE       MET  57   5.432   5.806  -0.739
  474   3HE   MET  57          3HE       MET  57   6.275   6.889  -1.846
  475    H    MET  58           H        MET  58   5.243  13.247  -0.604
  476    HA   MET  58           HA       MET  58   3.663  14.506   1.449
  477   1HB   MET  58          2HB       MET  58   5.386  15.740  -0.715
  478   2HB   MET  58          1HB       MET  58   4.781  16.556   0.721
  479   1HG   MET  58          2HG       MET  58   6.128  15.169   2.142
  480   2HG   MET  58          1HG       MET  58   6.636  14.190   0.770
  481   1HE   MET  58          1HE       MET  58   9.176  14.401   1.200
  482   2HE   MET  58          2HE       MET  58   8.791  15.236   2.704
  483   3HE   MET  58          3HE       MET  58   9.986  15.915   1.600
  484    H    ASN  59           H        ASN  59   3.747  14.377  -2.069
  485    HA   ASN  59           HA       ASN  59   1.239  15.816  -2.294
  486   1HB   ASN  59          2HB       ASN  59   3.168  14.625  -4.261
  487   2HB   ASN  59          1HB       ASN  59   1.529  15.010  -4.770
  488   1HD2  ASN  59          1HD2      ASN  59   2.271  16.560  -6.199
  489   2HD2  ASN  59          2HD2      ASN  59   2.841  18.105  -5.650
  490    H    ALA  60           H        ALA  60  -0.719  14.938  -2.747
  491    HA   ALA  60           HA       ALA  60  -1.291  12.327  -1.905
  492   1HB   ALA  60          1HB       ALA  60  -3.534  12.711  -2.790
  493   2HB   ALA  60          2HB       ALA  60  -2.955  14.121  -3.677
  494   3HB   ALA  60          3HB       ALA  60  -2.952  14.127  -1.914
  495    H    GLU  61           H        GLU  61  -0.320  13.591  -4.962
  496    HA   GLU  61           HA       GLU  61  -1.169  11.806  -6.840
  497   1HB   GLU  61          2HB       GLU  61   1.651  12.872  -6.614
  498   2HB   GLU  61          1HB       GLU  61   0.896  12.251  -8.073
  499   1HG   GLU  61          2HG       GLU  61  -0.666  14.101  -8.084
  500   2HG   GLU  61          1HG       GLU  61   0.012  14.701  -6.569
  501    H    HIS  62           H        HIS  62   1.870  11.453  -4.999
  502    HA   HIS  62           HA       HIS  62   2.200   8.809  -6.134
  503   1HB   HIS  62          2HB       HIS  62   4.026  10.231  -4.201
  504   2HB   HIS  62          1HB       HIS  62   4.414   8.823  -5.181
  505    HD1  HIS  62           1HD      HIS  62   4.392   9.319  -7.879
  506    HD2  HIS  62           2HD      HIS  62   4.613  12.606  -5.345
  507    HE1  HIS  62           1HE      HIS  62   5.196  11.226  -9.308
  508    HE2  HIS  62           2HE      HIS  62   5.392  13.184  -7.738
  509    H    ARG  63           H        ARG  63   1.039  10.191  -3.221
  510    HA   ARG  63           HA       ARG  63   1.475   7.962  -1.519
  511   1HB   ARG  63          2HB       ARG  63   0.950  10.200  -0.649
  512   2HB   ARG  63          1HB       ARG  63  -0.638  10.127  -1.394
  513   1HG   ARG  63          2HG       ARG  63  -0.744   9.699   1.001
  514   2HG   ARG  63          1HG       ARG  63  -1.267   8.296   0.070
  515   1HD   ARG  63          2HD       ARG  63   1.592   8.312   0.687
  516   2HD   ARG  63          1HD       ARG  63   0.557   8.266   2.114
  517    HE   ARG  63           HE       ARG  63  -0.434   6.355   0.353
  518   1HH1  ARG  63          1HH1      ARG  63   2.544   6.935   2.121
  519   2HH1  ARG  63          2HH1      ARG  63   2.908   5.249   2.289
  520   1HH2  ARG  63          1HH2      ARG  63   0.042   4.143   0.604
  521   2HH2  ARG  63          2HH2      ARG  63   1.511   3.671   1.412
  522    H    LYS  64           H        LYS  64  -1.483   9.080  -3.211
  523    HA   LYS  64           HA       LYS  64  -2.852   6.643  -2.745
  524   1HB   LYS  64          2HB       LYS  64  -4.572   7.452  -4.173
  525   2HB   LYS  64          1HB       LYS  64  -3.966   8.835  -3.279
  526   1HG   LYS  64          2HG       LYS  64  -2.642   9.499  -5.245
  527   2HG   LYS  64          1HG       LYS  64  -3.320   8.134  -6.136
  528   1HD   LYS  64          2HD       LYS  64  -5.576   9.049  -5.798
  529   2HD   LYS  64          1HD       LYS  64  -4.883  10.424  -4.939
  530   1HE   LYS  64          2HE       LYS  64  -5.355  11.098  -7.185
  531   2HE   LYS  64          1HE       LYS  64  -3.607  10.985  -6.998
  532   1HZ   LYS  64          1HZ       LYS  64  -3.624   8.882  -8.124
  533   2HZ   LYS  64          2HZ       LYS  64  -4.426  10.019  -9.086
  534   3HZ   LYS  64          3HZ       LYS  64  -5.313   8.880  -8.208
  535    H    LEU  65           H        LEU  65  -0.531   7.667  -5.068
  536    HA   LEU  65           HA       LEU  65  -0.865   5.826  -7.119
  537   1HB   LEU  65          2HB       LEU  65   0.803   7.559  -7.240
  538   2HB   LEU  65          1HB       LEU  65   1.645   6.910  -5.848
  539    HG   LEU  65           HG       LEU  65   2.185   4.878  -7.200
  540   1HD1  LEU  65          1HD1      LEU  65   1.083   6.538  -9.459
  541   2HD1  LEU  65          2HD1      LEU  65   0.401   5.034  -8.845
  542   3HD1  LEU  65          3HD1      LEU  65   1.979   5.030  -9.631
  543   1HD2  LEU  65          1HD2      LEU  65   3.769   6.729  -6.890
  544   2HD2  LEU  65          2HD2      LEU  65   3.134   7.501  -8.344
  545   3HD2  LEU  65          3HD2      LEU  65   3.959   5.947  -8.459
  546    H    LEU  66           H        LEU  66   0.981   5.469  -4.101
  547    HA   LEU  66           HA       LEU  66   1.784   2.814  -4.487
  548   1HB   LEU  66          2HB       LEU  66   2.440   4.635  -2.699
  549   2HB   LEU  66          1HB       LEU  66   1.179   3.871  -1.754
  550    HG   LEU  66           HG       LEU  66   3.577   2.410  -2.870
  551   1HD1  LEU  66          1HD1      LEU  66   4.425   2.440  -0.566
  552   2HD1  LEU  66          2HD1      LEU  66   3.094   3.501  -0.102
  553   3HD1  LEU  66          3HD1      LEU  66   4.305   4.057  -1.257
  554   1HD2  LEU  66          1HD2      LEU  66   2.942   0.654  -1.299
  555   2HD2  LEU  66          2HD2      LEU  66   1.644   0.975  -2.449
  556   3HD2  LEU  66          3HD2      LEU  66   1.536   1.597  -0.802
  557    H    GLU  67           H        GLU  67  -1.032   4.170  -2.784
  558    HA   GLU  67           HA       GLU  67  -2.255   1.808  -1.978
  559   1HB   GLU  67          2HB       GLU  67  -3.235   4.536  -2.647
  560   2HB   GLU  67          1HB       GLU  67  -4.435   3.258  -2.553
  561   1HG   GLU  67          2HG       GLU  67  -4.218   4.462  -0.446
  562   2HG   GLU  67          1HG       GLU  67  -3.788   2.761  -0.280
  563    H    GLN  68           H        GLN  68  -2.774   3.575  -5.023
  564    HA   GLN  68           HA       GLN  68  -4.604   1.804  -6.166
  565   1HB   GLN  68          2HB       GLN  68  -2.582   3.598  -7.509
  566   2HB   GLN  68          1HB       GLN  68  -3.910   2.799  -8.334
  567   1HG   GLN  68          2HG       GLN  68  -5.525   4.100  -7.242
  568   2HG   GLN  68          1HG       GLN  68  -4.372   4.667  -6.036
  569   1HE2  GLN  68          1HE2      GLN  68  -2.293   5.153  -8.031
  570   2HE2  GLN  68          2HE2      GLN  68  -2.748   6.602  -8.853
  571    H    GLU  69           H        GLU  69  -1.054   1.941  -6.560
  572    HA   GLU  69           HA       GLU  69  -0.864  -0.226  -8.338
  573   1HB   GLU  69          2HB       GLU  69   1.169   0.778  -6.332
  574   2HB   GLU  69          1HB       GLU  69   1.516  -0.360  -7.625
  575   1HG   GLU  69          2HG       GLU  69   0.782   1.407  -9.247
  576   2HG   GLU  69          1HG       GLU  69   0.721   2.528  -7.886
  577    H    MET  70           H        MET  70  -0.742  -0.084  -4.813
  578    HA   MET  70           HA       MET  70  -0.061  -2.757  -4.321
  579   1HB   MET  70          2HB       MET  70   0.023  -1.059  -2.579
  580   2HB   MET  70          1HB       MET  70  -1.723  -0.861  -2.654
  581   1HG   MET  70          2HG       MET  70  -1.964  -3.223  -1.936
  582   2HG   MET  70          1HG       MET  70  -0.214  -3.298  -1.740
  583   1HE   MET  70          1HE       MET  70   0.400  -0.773   1.179
  584   2HE   MET  70          2HE       MET  70   0.461  -0.414  -0.545
  585   3HE   MET  70          3HE       MET  70   1.133  -1.928   0.064
  586    H    VAL  71           H        VAL  71  -3.271  -1.216  -4.397
  587    HA   VAL  71           HA       VAL  71  -4.750  -3.553  -3.916
  588    HB   VAL  71           HB       VAL  71  -5.600  -1.067  -5.419
  589   1HG1  VAL  71          1HG1      VAL  71  -7.307  -3.185  -4.113
  590   2HG1  VAL  71          2HG1      VAL  71  -7.068  -3.001  -5.850
  591   3HG1  VAL  71          3HG1      VAL  71  -7.881  -1.733  -4.931
  592   1HG2  VAL  71          1HG2      VAL  71  -5.923  -1.827  -2.517
  593   2HG2  VAL  71          2HG2      VAL  71  -6.583  -0.382  -3.282
  594   3HG2  VAL  71          3HG2      VAL  71  -4.836  -0.591  -3.152
  595    H    SER  72           H        SER  72  -3.462  -2.181  -6.881
  596    HA   SER  72           HA       SER  72  -4.955  -3.740  -8.692
  597   1HB   SER  72          2HB       SER  72  -2.212  -2.512  -9.037
  598   2HB   SER  72          1HB       SER  72  -3.244  -3.099 -10.341
  599    HG   SER  72           HG       SER  72  -3.663  -0.897  -8.609
  600    H    PHE  73           H        PHE  73  -1.932  -4.361  -6.995
  601    HA   PHE  73           HA       PHE  73  -1.456  -6.741  -8.606
  602   1HB   PHE  73          2HB       PHE  73   0.404  -5.184  -8.103
  603   2HB   PHE  73          1HB       PHE  73   0.223  -5.556  -6.392
  604    HD1  PHE  73           1HD      PHE  73   1.262  -6.862  -9.656
  605    HD2  PHE  73           2HD      PHE  73   1.046  -7.607  -5.474
  606    HE1  PHE  73           1HE      PHE  73   2.811  -8.753  -9.917
  607    HE2  PHE  73           2HE      PHE  73   2.598  -9.499  -5.727
  608    HZ   PHE  73           HZ       PHE  73   3.482 -10.073  -7.949
  609    H    LEU  74           H        LEU  74  -1.994  -5.889  -5.197
  610    HA   LEU  74           HA       LEU  74  -1.713  -8.638  -4.370
  611   1HB   LEU  74          2HB       LEU  74  -2.505  -6.154  -2.861
  612   2HB   LEU  74          1HB       LEU  74  -2.306  -7.728  -2.119
  613    HG   LEU  74           HG       LEU  74  -0.136  -6.117  -3.473
  614   1HD1  LEU  74          1HD1      LEU  74   0.792  -5.898  -1.246
  615   2HD1  LEU  74          2HD1      LEU  74  -0.543  -6.833  -0.573
  616   3HD1  LEU  74          3HD1      LEU  74  -0.848  -5.251  -1.287
  617   1HD2  LEU  74          1HD2      LEU  74   0.201  -8.515  -3.801
  618   2HD2  LEU  74          2HD2      LEU  74   0.016  -8.785  -2.070
  619   3HD2  LEU  74          3HD2      LEU  74   1.386  -7.855  -2.675
  620    H    PHE  75           H        PHE  75  -4.385  -6.308  -4.531
  621    HA   PHE  75           HA       PHE  75  -6.275  -8.361  -3.695
  622   1HB   PHE  75          2HB       PHE  75  -6.416  -5.998  -2.857
  623   2HB   PHE  75          1HB       PHE  75  -6.804  -5.487  -4.493
  624    HD1  PHE  75           1HD      PHE  75  -7.997  -7.358  -1.571
  625    HD2  PHE  75           2HD      PHE  75  -8.978  -5.803  -5.407
  626    HE1  PHE  75           1HE      PHE  75 -10.381  -7.765  -1.122
  627    HE2  PHE  75           2HE      PHE  75 -11.364  -6.208  -4.967
  628    HZ   PHE  75           HZ       PHE  75 -12.066  -7.188  -2.821
  629    H    GLU  76           H        GLU  76  -5.517  -6.371  -6.478
  630    HA   GLU  76           HA       GLU  76  -6.077  -6.403  -8.652
  631   1HB   GLU  76          2HB       GLU  76  -5.165  -8.724  -8.491
  632   2HB   GLU  76          1HB       GLU  76  -6.805  -9.306  -8.238
  633   1HG   GLU  76          2HG       GLU  76  -7.428  -8.307 -10.423
  634   2HG   GLU  76          1HG       GLU  76  -5.730  -7.911 -10.674
  635    H    GLY  77           H        GLY  77  -7.757  -4.995  -8.530
  636   1HA   GLY  77          2HA       GLY  77 -10.190  -5.533  -9.529
  637   2HA   GLY  77          1HA       GLY  77 -10.409  -5.925  -7.831
  638    H    LYS  78           H        LYS  78  -8.513  -3.339  -9.341
  639    HA   LYS  78           HA       LYS  78 -10.016  -1.428  -7.707
  640   1HB   LYS  78          2HB       LYS  78  -8.173   0.161  -8.223
  641   2HB   LYS  78          1HB       LYS  78  -7.644  -1.273  -7.360
  642   1HG   LYS  78          2HG       LYS  78  -5.986  -1.029  -8.920
  643   2HG   LYS  78          1HG       LYS  78  -7.061  -2.157  -9.738
  644   1HD   LYS  78          2HD       LYS  78  -8.030  -0.335 -11.021
  645   2HD   LYS  78          1HD       LYS  78  -7.024   0.826 -10.157
  646   1HE   LYS  78          2HE       LYS  78  -6.065   0.360 -12.330
  647   2HE   LYS  78          1HE       LYS  78  -5.015  -0.264 -11.061
  648   1HZ   LYS  78          1HZ       LYS  78  -6.902  -1.862 -12.707
  649   2HZ   LYS  78          2HZ       LYS  78  -5.943  -2.477 -11.458
  650   3HZ   LYS  78          3HZ       LYS  78  -5.218  -1.850 -12.849
  651    H    ASP  79           H        ASP  79 -11.199   0.180  -8.545
  652    HA   ASP  79           HA       ASP  79 -11.713   0.109 -11.409
  653   1HB   ASP  79          2HB       ASP  79 -13.038   1.566  -9.121
  654   2HB   ASP  79          1HB       ASP  79 -13.474   1.848 -10.801
  655    H    VAL  80           H        VAL  80 -10.232   2.095  -8.993
  656    HA   VAL  80           HA       VAL  80 -10.091   4.498 -10.500
  657    HB   VAL  80           HB       VAL  80  -8.369   3.638  -8.168
  658   1HG1  VAL  80          1HG1      VAL  80  -7.446   5.528  -9.381
  659   2HG1  VAL  80          2HG1      VAL  80  -8.065   6.046  -7.813
  660   3HG1  VAL  80          3HG1      VAL  80  -8.991   6.372  -9.279
  661   1HG2  VAL  80          1HG2      VAL  80 -10.735   3.518  -7.594
  662   2HG2  VAL  80          2HG2      VAL  80 -10.971   5.165  -8.180
  663   3HG2  VAL  80          3HG2      VAL  80  -9.957   4.868  -6.768
  664    H    HIS  81           H        HIS  81  -8.973   4.630 -12.348
  665    HA   HIS  81           HA       HIS  81  -6.724   2.927 -12.870
  666   1HB   HIS  81          2HB       HIS  81  -8.049   5.125 -14.440
  667   2HB   HIS  81          1HB       HIS  81  -6.551   4.375 -14.989
  668    HD1  HIS  81           1HD      HIS  81  -9.731   4.180 -16.054
  669    HD2  HIS  81           2HD      HIS  81  -7.276   1.249 -14.426
  670    HE1  HIS  81           1HE      HIS  81 -10.693   1.987 -16.816
  671    HE2  HIS  81           2HE      HIS  81  -9.054   0.254 -16.013
  672    H    ILE  82           H        ILE  82  -4.584   3.606 -13.319
  673    HA   ILE  82           HA       ILE  82  -3.805   5.499 -11.247
  674    HB   ILE  82           HB       ILE  82  -2.069   3.507 -12.703
  675   1HG1  ILE  82          2HG1      ILE  82  -3.535   3.218 -10.072
  676   2HG1  ILE  82          1HG1      ILE  82  -3.950   2.388 -11.563
  677   1HG2  ILE  82          1HG2      ILE  82  -1.711   4.996 -10.104
  678   2HG2  ILE  82          2HG2      ILE  82  -0.827   5.277 -11.604
  679   3HG2  ILE  82          3HG2      ILE  82  -0.619   3.760 -10.728
  680   1HD1  ILE  82          1HD1      ILE  82  -1.393   2.051 -10.012
  681   2HD1  ILE  82          2HD1      ILE  82  -1.815   1.210 -11.504
  682   3HD1  ILE  82          3HD1      ILE  82  -2.754   0.929 -10.036
  683    H    GLU  83           H        GLU  83  -4.065   7.447 -12.371
  684    HA   GLU  83           HA       GLU  83  -3.280   9.297 -13.410
  685   1HB   GLU  83          2HB       GLU  83  -1.236   8.465 -12.090
  686   2HB   GLU  83          1HB       GLU  83  -0.610   7.926 -13.642
  687   1HG   GLU  83          2HG       GLU  83  -0.851  10.261 -14.471
  688   2HG   GLU  83          1HG       GLU  83  -1.289  10.741 -12.831
  689    H    GLY  84           H        GLY  84  -4.115   6.831 -15.038
  690   1HA   GLY  84          2HA       GLY  84  -2.669   7.064 -17.508
  691   2HA   GLY  84          1HA       GLY  84  -4.163   6.170 -17.255
  692    H    TYR  85           H        TYR  85  -6.040   7.794 -16.663
  693    HA   TYR  85           HA       TYR  85  -5.928  10.040 -18.555
  694   1HB   TYR  85          2HB       TYR  85  -8.206   8.139 -17.993
  695   2HB   TYR  85          1HB       TYR  85  -8.435   9.684 -18.806
  696    HD1  TYR  85           1HD      TYR  85  -7.507  10.066 -21.031
  697    HD2  TYR  85           2HD      TYR  85  -7.157   6.276 -19.130
  698    HE1  TYR  85           1HE      TYR  85  -6.907   9.047 -23.185
  699    HE2  TYR  85           2HE      TYR  85  -6.555   5.248 -21.282
  700    HH   TYR  85           HH       TYR  85  -5.609   7.002 -23.950
  701    H    THR  86           H        THR  86  -6.884  11.956 -17.915
  702    HA   THR  86           HA       THR  86  -7.717  12.084 -15.101
  703    HB   THR  86           HB       THR  86  -5.916  14.109 -16.440
  704    HG1  THR  86           1HG      THR  86  -5.293  11.701 -15.495
  705   1HG2  THR  86          1HG2      THR  86  -6.722  13.717 -13.556
  706   2HG2  THR  86          2HG2      THR  86  -7.267  15.014 -14.619
  707   3HG2  THR  86          3HG2      THR  86  -5.570  14.915 -14.144
  708    HA   PRO  87           HA       PRO  87 -11.024  14.372 -17.234
  709   1HB   PRO  87          2HB       PRO  87 -12.337  14.073 -14.628
  710   2HB   PRO  87          1HB       PRO  87 -12.883  13.536 -16.218
  711   1HG   PRO  87          2HG       PRO  87 -12.069  11.802 -14.320
  712   2HG   PRO  87          1HG       PRO  87 -11.807  11.505 -16.047
  713   1HD   PRO  87          2HD       PRO  87  -9.879  12.506 -13.982
  714   2HD   PRO  87          1HD       PRO  87  -9.620  11.336 -15.296
  715    H    GLU  88           H        GLU  88 -11.643  16.528 -16.994
  716    HA   GLU  88           HA       GLU  88 -10.062  18.047 -15.125
  717   1HB   GLU  88          2HB       GLU  88 -11.794  18.761 -17.443
  718   2HB   GLU  88          1HB       GLU  88 -11.418  19.997 -16.246
  719   1HG   GLU  88          2HG       GLU  88  -9.402  18.366 -17.770
  720   2HG   GLU  88          1HG       GLU  88  -9.859  20.032 -18.129
  721    H    ASP  89           H        ASP  89 -11.047  17.045 -13.325
  722    HA   ASP  89           HA       ASP  89 -12.939  18.854 -12.143
  723   1HB   ASP  89          2HB       ASP  89 -14.388  17.075 -13.201
  724   2HB   ASP  89          1HB       ASP  89 -13.589  15.896 -12.167
  725    H    LYS  90           H        LYS  90 -11.506  19.397 -10.604
  726    HA   LYS  90           HA       LYS  90  -9.606  17.554  -9.567
  727   1HB   LYS  90          2HB       LYS  90 -10.342  20.362  -8.747
  728   2HB   LYS  90          1HB       LYS  90  -9.078  19.438  -7.956
  729   1HG   LYS  90          2HG       LYS  90  -7.977  20.830  -9.496
  730   2HG   LYS  90          1HG       LYS  90  -7.985  19.229 -10.232
  731   1HD   LYS  90          2HD       LYS  90  -9.808  19.846 -11.680
  732   2HD   LYS  90          1HD       LYS  90  -9.983  21.399 -10.863
  733   1HE   LYS  90          2HE       LYS  90  -8.816  21.713 -12.953
  734   2HE   LYS  90          1HE       LYS  90  -7.715  22.020 -11.613
  735   1HZ   LYS  90          1HZ       LYS  90  -7.832  19.569 -13.287
  736   2HZ   LYS  90          2HZ       LYS  90  -6.857  19.740 -11.920
  737   3HZ   LYS  90          3HZ       LYS  90  -6.598  20.726 -13.267
  738    H    LYS  91           H        LYS  91 -10.424  15.895  -8.495
  739    HA   LYS  91           HA       LYS  91 -12.491  16.302  -6.486
  740   1HB   LYS  91          2HB       LYS  91 -12.693  14.467  -8.143
  741   2HB   LYS  91          1HB       LYS  91 -11.227  13.746  -7.497
  742   1HG   LYS  91          2HG       LYS  91 -12.316  13.406  -5.355
  743   2HG   LYS  91          1HG       LYS  91 -13.783  14.177  -5.963
  744   1HD   LYS  91          2HD       LYS  91 -12.535  11.668  -7.089
  745   2HD   LYS  91          1HD       LYS  91 -13.918  11.712  -5.995
  746   1HE   LYS  91          2HE       LYS  91 -15.163  13.034  -7.672
  747   2HE   LYS  91          1HE       LYS  91 -13.789  12.904  -8.768
  748   1HZ   LYS  91          1HZ       LYS  91 -15.517  11.276  -9.260
  749   2HZ   LYS  91          2HZ       LYS  91 -15.352  10.610  -7.714
  750   3HZ   LYS  91          3HZ       LYS  91 -14.072  10.520  -8.814
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1   0.762 -24.664  14.249
    2   2H    MET   1          2HT       MET   1   1.460 -25.317  12.857
    3   3H    MET   1          3HT       MET   1  -0.198 -24.982  12.896
    4    HA   MET   1           HA       MET   1   0.229 -22.634  13.083
    5   1HB   MET   1          2HB       MET   1   3.124 -23.495  12.889
    6   2HB   MET   1          1HB       MET   1   2.574 -21.835  12.715
    7   1HG   MET   1          2HG       MET   1   1.652 -21.940  15.004
    8   2HG   MET   1          1HG       MET   1   2.323 -23.560  15.166
    9   1HE   MET   1          1HE       MET   1   6.157 -22.942  15.103
   10   2HE   MET   1          2HE       MET   1   5.137 -23.369  13.730
   11   3HE   MET   1          3HE       MET   1   4.859 -24.120  15.302
   12    H    SER   2           H        SER   2   0.226 -25.116  11.118
   13    HA   SER   2           HA       SER   2   1.137 -23.795   8.699
   14   1HB   SER   2          2HB       SER   2  -0.183 -26.497   9.059
   15   2HB   SER   2          1HB       SER   2   0.591 -25.905   7.590
   16    HG   SER   2           HG       SER   2   1.704 -26.979   9.856
   17    H    ARG   3           H        ARG   3  -0.287 -22.079   8.493
   18    HA   ARG   3           HA       ARG   3  -3.147 -22.672   8.355
   19   1HB   ARG   3          2HB       ARG   3  -2.371 -20.735   9.708
   20   2HB   ARG   3          1HB       ARG   3  -1.727 -20.005   8.247
   21   1HG   ARG   3          2HG       ARG   3  -3.997 -19.933   7.303
   22   2HG   ARG   3          1HG       ARG   3  -4.625 -20.601   8.810
   23   1HD   ARG   3          2HD       ARG   3  -3.171 -17.982   8.474
   24   2HD   ARG   3          1HD       ARG   3  -4.893 -18.194   8.789
   25    HE   ARG   3           HE       ARG   3  -3.960 -19.391  10.911
   26   1HH1  ARG   3          1HH1      ARG   3  -2.757 -16.464   9.413
   27   2HH1  ARG   3          2HH1      ARG   3  -2.105 -15.831  10.888
   28   1HH2  ARG   3          1HH2      ARG   3  -3.093 -18.560  12.845
   29   2HH2  ARG   3          2HH2      ARG   3  -2.266 -17.025  12.832
   30    H    THR   4           H        THR   4  -3.337 -23.689   6.393
   31    HA   THR   4           HA       THR   4  -2.175 -22.505   4.021
   32    HB   THR   4           HB       THR   4  -4.047 -24.874   4.176
   33    HG1  THR   4           1HG      THR   4  -1.782 -25.916   3.950
   34   1HG2  THR   4          1HG2      THR   4  -1.988 -24.023   2.136
   35   2HG2  THR   4          2HG2      THR   4  -3.740 -23.967   1.938
   36   3HG2  THR   4          3HG2      THR   4  -2.917 -25.519   2.085
   37    H    ILE   5           H        ILE   5  -3.162 -20.890   3.007
   38    HA   ILE   5           HA       ILE   5  -6.107 -20.853   2.955
   39    HB   ILE   5           HB       ILE   5  -5.889 -18.341   2.677
   40   1HG1  ILE   5          2HG1      ILE   5  -3.766 -17.454   3.892
   41   2HG1  ILE   5          1HG1      ILE   5  -3.058 -19.005   3.467
   42   1HG2  ILE   5          1HG2      ILE   5  -6.713 -19.334   4.717
   43   2HG2  ILE   5          2HG2      ILE   5  -5.688 -17.951   5.100
   44   3HG2  ILE   5          3HG2      ILE   5  -5.067 -19.591   5.293
   45   1HD1  ILE   5          1HD1      ILE   5  -4.127 -16.953   1.540
   46   2HD1  ILE   5          2HD1      ILE   5  -3.453 -18.521   1.097
   47   3HD1  ILE   5          3HD1      ILE   5  -2.430 -17.309   1.867
   48    H    PHE   6           H        PHE   6  -6.956 -19.544   1.083
   49    HA   PHE   6           HA       PHE   6  -5.493 -20.287  -1.333
   50   1HB   PHE   6          2HB       PHE   6  -7.881 -20.959  -1.103
   51   2HB   PHE   6          1HB       PHE   6  -8.328 -19.259  -1.031
   52    HD1  PHE   6           1HD      PHE   6  -8.664 -18.021  -2.996
   53    HD2  PHE   6           2HD      PHE   6  -6.776 -21.830  -3.190
   54    HE1  PHE   6           1HE      PHE   6  -8.816 -17.972  -5.452
   55    HE2  PHE   6           2HE      PHE   6  -6.928 -21.789  -5.642
   56    HZ   PHE   6           HZ       PHE   6  -7.947 -19.855  -6.776
   57    H    CYS   7           H        CYS   7  -4.147 -18.783  -2.051
   58    HA   CYS   7           HA       CYS   7  -4.553 -16.007  -1.322
   59   1HB   CYS   7          2HB       CYS   7  -2.284 -15.721  -2.388
   60   2HB   CYS   7          1HB       CYS   7  -2.335 -16.822  -1.014
   61    HG   CYS   7           HG       CYS   7  -2.222 -19.144  -2.525
   62    H    THR   8           H        THR   8  -4.930 -14.343  -2.700
   63    HA   THR   8           HA       THR   8  -6.401 -14.875  -5.036
   64    HB   THR   8           HB       THR   8  -5.145 -12.235  -4.265
   65    HG1  THR   8           1HG      THR   8  -7.004 -11.914  -3.009
   66   1HG2  THR   8          1HG2      THR   8  -7.631 -12.907  -5.854
   67   2HG2  THR   8          2HG2      THR   8  -6.123 -12.264  -6.507
   68   3HG2  THR   8          3HG2      THR   8  -7.103 -11.281  -5.418
   69    H    TYR   9           H        TYR   9  -3.130 -13.515  -4.638
   70    HA   TYR   9           HA       TYR   9  -2.815 -12.972  -7.391
   71   1HB   TYR   9          2HB       TYR   9  -1.612 -11.822  -5.510
   72   2HB   TYR   9          1HB       TYR   9  -0.596 -13.253  -5.368
   73    HD1  TYR   9           1HD      TYR   9  -1.720 -10.753  -7.893
   74    HD2  TYR   9           2HD      TYR   9   1.390 -13.344  -6.587
   75    HE1  TYR   9           1HE      TYR   9  -0.241  -9.843  -9.630
   76    HE2  TYR   9           2HE      TYR   9   2.880 -12.444  -8.328
   77    HH   TYR   9           HH       TYR   9   2.093  -9.627 -10.139
   78    H    LEU  10           H        LEU  10  -1.944 -15.776  -5.446
   79    HA   LEU  10           HA       LEU  10  -0.460 -16.882  -7.712
   80   1HB   LEU  10          2HB       LEU  10  -0.737 -17.902  -4.889
   81   2HB   LEU  10          1HB       LEU  10   0.247 -18.643  -6.136
   82    HG   LEU  10           HG       LEU  10   0.671 -15.880  -4.994
   83   1HD1  LEU  10          1HD1      LEU  10   1.183 -17.605  -3.367
   84   2HD1  LEU  10          2HD1      LEU  10   2.665 -16.855  -3.959
   85   3HD1  LEU  10          3HD1      LEU  10   2.185 -18.447  -4.549
   86   1HD2  LEU  10          1HD2      LEU  10   2.325 -17.488  -6.938
   87   2HD2  LEU  10          2HD2      LEU  10   2.784 -15.940  -6.228
   88   3HD2  LEU  10          3HD2      LEU  10   1.397 -16.035  -7.310
   89    H    GLN  11           H        GLN  11  -3.467 -17.238  -6.035
   90    HA   GLN  11           HA       GLN  11  -5.304 -18.517  -6.406
   91   1HB   GLN  11          2HB       GLN  11  -3.902 -18.910  -9.043
   92   2HB   GLN  11          1HB       GLN  11  -5.461 -19.643  -8.700
   93   1HG   GLN  11          2HG       GLN  11  -4.865 -16.691  -8.667
   94   2HG   GLN  11          1HG       GLN  11  -5.673 -17.569  -9.967
   95   1HE2  GLN  11          1HE2      GLN  11  -5.965 -16.274  -6.772
   96   2HE2  GLN  11          2HE2      GLN  11  -7.673 -16.493  -6.617
   97    H    ARG  12           H        ARG  12  -3.029 -19.660  -5.036
   98    HA   ARG  12           HA       ARG  12  -3.828 -22.441  -5.253
   99   1HB   ARG  12          2HB       ARG  12  -1.489 -23.248  -5.279
  100   2HB   ARG  12          1HB       ARG  12  -1.927 -22.387  -6.747
  101   1HG   ARG  12          2HG       ARG  12  -0.794 -20.377  -5.851
  102   2HG   ARG  12          1HG       ARG  12  -0.278 -21.333  -4.461
  103   1HD   ARG  12          2HD       ARG  12   0.920 -22.854  -5.945
  104   2HD   ARG  12          1HD       ARG  12   0.392 -21.915  -7.340
  105    HE   ARG  12           HE       ARG  12   1.983 -20.594  -5.262
  106   1HH1  ARG  12          1HH1      ARG  12   1.781 -21.919  -8.496
  107   2HH1  ARG  12          2HH1      ARG  12   3.182 -21.067  -9.069
  108   1HH2  ARG  12          1HH2      ARG  12   3.853 -19.494  -6.015
  109   2HH2  ARG  12          2HH2      ARG  12   4.353 -19.699  -7.664
  110    H    ASP  13           H        ASP  13  -2.358 -23.692  -3.491
  111    HA   ASP  13           HA       ASP  13  -3.208 -22.634  -1.002
  112   1HB   ASP  13          2HB       ASP  13  -1.329 -24.915  -1.637
  113   2HB   ASP  13          1HB       ASP  13  -1.917 -24.542  -0.023
  114    H    ALA  14           H        ALA  14  -2.243 -21.228   0.282
  115    HA   ALA  14           HA       ALA  14   0.682 -21.080   0.313
  116   1HB   ALA  14          1HB       ALA  14  -0.116 -19.317  -1.217
  117   2HB   ALA  14          2HB       ALA  14   0.679 -18.667   0.216
  118   3HB   ALA  14          3HB       ALA  14  -1.080 -18.643   0.096
  119    H    GLU  15           H        GLU  15   1.233 -19.338   2.168
  120    HA   GLU  15           HA       GLU  15  -0.169 -20.423   4.489
  121   1HB   GLU  15          2HB       GLU  15   1.789 -19.766   5.780
  122   2HB   GLU  15          1HB       GLU  15   2.254 -20.751   4.403
  123   1HG   GLU  15          2HG       GLU  15   2.866 -18.681   3.189
  124   2HG   GLU  15          1HG       GLU  15   2.527 -17.768   4.659
  125    H    GLY  16           H        GLY  16  -1.335 -19.237   5.815
  126   1HA   GLY  16          2HA       GLY  16  -2.116 -16.607   5.104
  127   2HA   GLY  16          1HA       GLY  16  -2.545 -17.448   6.587
  128    H    GLN  17           H        GLN  17  -1.145 -14.774   5.469
  129    HA   GLN  17           HA       GLN  17   1.220 -14.448   6.920
  130   1HB   GLN  17          2HB       GLN  17  -0.741 -12.716   5.563
  131   2HB   GLN  17          1HB       GLN  17   0.222 -11.926   6.796
  132   1HG   GLN  17          2HG       GLN  17   1.610 -13.602   4.781
  133   2HG   GLN  17          1HG       GLN  17   0.980 -12.035   4.279
  134   1HE2  GLN  17          1HE2      GLN  17   2.085 -12.567   7.534
  135   2HE2  GLN  17          2HE2      GLN  17   3.517 -11.612   7.411
  136    H    ASP  18           H        ASP  18   1.234 -14.980   9.058
  137    HA   ASP  18           HA       ASP  18  -0.851 -13.946  10.812
  138   1HB   ASP  18          2HB       ASP  18  -0.048 -16.308  11.026
  139   2HB   ASP  18          1HB       ASP  18   1.521 -15.685  11.523
  140    H    PHE  19           H        PHE  19  -0.178 -11.726  10.409
  141    HA   PHE  19           HA       PHE  19   1.726 -10.842  12.401
  142   1HB   PHE  19          2HB       PHE  19   2.171 -10.460   9.461
  143   2HB   PHE  19          1HB       PHE  19   2.716  -9.229  10.591
  144    HD1  PHE  19           1HD      PHE  19   4.352  -9.872  12.381
  145    HD2  PHE  19           2HD      PHE  19   3.419 -12.415   9.099
  146    HE1  PHE  19           1HE      PHE  19   6.429 -11.127  12.768
  147    HE2  PHE  19           2HE      PHE  19   5.493 -13.680   9.485
  148    HZ   PHE  19           HZ       PHE  19   7.004 -13.035  11.320
  149    H    GLN  20           H        GLN  20   0.793  -9.252  13.451
  150    HA   GLN  20           HA       GLN  20  -0.659  -7.210  11.922
  151   1HB   GLN  20          2HB       GLN  20  -1.565  -8.516  14.486
  152   2HB   GLN  20          1HB       GLN  20  -2.204  -6.978  13.924
  153   1HG   GLN  20          2HG       GLN  20  -2.365  -9.590  12.433
  154   2HG   GLN  20          1HG       GLN  20  -3.667  -8.853  13.366
  155   1HE2  GLN  20          1HE2      GLN  20  -3.538  -9.538  10.531
  156   2HE2  GLN  20          2HE2      GLN  20  -3.844  -8.071   9.673
  157    H    LEU  21           H        LEU  21   0.310  -5.305  12.214
  158    HA   LEU  21           HA       LEU  21   1.941  -4.955  14.643
  159   1HB   LEU  21          2HB       LEU  21   2.329  -3.685  11.925
  160   2HB   LEU  21          1HB       LEU  21   3.332  -3.397  13.330
  161    HG   LEU  21           HG       LEU  21   3.834  -5.935  13.230
  162   1HD1  LEU  21          1HD1      LEU  21   2.104  -6.542  11.628
  163   2HD1  LEU  21          2HD1      LEU  21   3.708  -6.905  10.990
  164   3HD1  LEU  21          3HD1      LEU  21   2.835  -5.482  10.421
  165   1HD2  LEU  21          1HD2      LEU  21   5.635  -5.544  11.613
  166   2HD2  LEU  21          2HD2      LEU  21   5.470  -4.214  12.758
  167   3HD2  LEU  21          3HD2      LEU  21   4.851  -4.045  11.116
  168    H    TYR  22           H        TYR  22   1.054  -2.536  12.271
  169    HA   TYR  22           HA       TYR  22  -0.405  -1.114  14.359
  170   1HB   TYR  22          2HB       TYR  22  -0.006   0.919  12.851
  171   2HB   TYR  22          1HB       TYR  22   1.345   0.281  13.772
  172    HD1  TYR  22           1HD      TYR  22   0.013   0.924  10.454
  173    HD2  TYR  22           2HD      TYR  22   3.135  -0.985  12.621
  174    HE1  TYR  22           1HE      TYR  22   1.353   0.784   8.398
  175    HE2  TYR  22           2HE      TYR  22   4.482  -1.127  10.572
  176    HH   TYR  22           HH       TYR  22   4.213  -1.101   8.175
  177    HA   PRO  23           HA       PRO  23  -3.402  -1.017  10.615
  178   1HB   PRO  23          2HB       PRO  23  -3.343  -3.093   8.895
  179   2HB   PRO  23          1HB       PRO  23  -2.382  -1.630   8.627
  180   1HG   PRO  23          2HG       PRO  23  -1.544  -4.273   9.754
  181   2HG   PRO  23          1HG       PRO  23  -0.702  -3.239   8.584
  182   1HD   PRO  23          2HD       PRO  23  -0.077  -3.316  11.232
  183   2HD   PRO  23          1HD       PRO  23   0.161  -1.879  10.221
  184    H    GLY  24           H        GLY  24  -5.391  -2.365  10.264
  185   1HA   GLY  24          2HA       GLY  24  -5.548  -4.529  12.264
  186   2HA   GLY  24          1HA       GLY  24  -6.772  -3.271  12.163
  187    H    GLU  25           H        GLU  25  -8.487  -3.637  10.943
  188    HA   GLU  25           HA       GLU  25  -8.957  -6.189   9.890
  189   1HB   GLU  25          2HB       GLU  25 -11.076  -5.204   9.034
  190   2HB   GLU  25          1HB       GLU  25 -10.776  -4.885  10.737
  191   1HG   GLU  25          2HG       GLU  25  -9.831  -2.650  10.001
  192   2HG   GLU  25          1HG       GLU  25 -10.537  -2.995   8.423
  193    H    LEU  26           H        LEU  26  -7.989  -3.195   8.300
  194    HA   LEU  26           HA       LEU  26  -8.333  -4.133   5.641
  195   1HB   LEU  26          2HB       LEU  26  -8.052  -1.745   6.192
  196   2HB   LEU  26          1HB       LEU  26  -6.403  -2.060   6.702
  197    HG   LEU  26           HG       LEU  26  -5.868  -2.778   4.379
  198   1HD1  LEU  26          1HD1      LEU  26  -8.628  -1.736   3.770
  199   2HD1  LEU  26          2HD1      LEU  26  -8.106  -3.417   3.670
  200   3HD1  LEU  26          3HD1      LEU  26  -7.417  -2.211   2.581
  201   1HD2  LEU  26          1HD2      LEU  26  -5.849  -0.515   3.435
  202   2HD2  LEU  26          2HD2      LEU  26  -5.346  -0.530   5.127
  203   3HD2  LEU  26          3HD2      LEU  26  -6.968   0.010   4.691
  204    H    GLY  27           H        GLY  27  -5.664  -4.206   7.942
  205   1HA   GLY  27          2HA       GLY  27  -3.753  -5.422   6.246
  206   2HA   GLY  27          1HA       GLY  27  -3.734  -5.446   8.005
  207    H    LYS  28           H        LYS  28  -6.001  -6.755   8.651
  208    HA   LYS  28           HA       LYS  28  -5.401  -9.442   8.412
  209   1HB   LYS  28          2HB       LYS  28  -8.092  -8.150   8.855
  210   2HB   LYS  28          1HB       LYS  28  -7.764  -9.859   9.093
  211   1HG   LYS  28          2HG       LYS  28  -6.175  -9.333  10.849
  212   2HG   LYS  28          1HG       LYS  28  -6.430  -7.608  10.583
  213   1HD   LYS  28          2HD       LYS  28  -8.785  -7.865  11.205
  214   2HD   LYS  28          1HD       LYS  28  -8.522  -9.589  11.477
  215   1HE   LYS  28          2HE       LYS  28  -6.914  -9.071  13.240
  216   2HE   LYS  28          1HE       LYS  28  -7.149  -7.345  12.957
  217   1HZ   LYS  28          1HZ       LYS  28  -9.452  -7.574  13.620
  218   2HZ   LYS  28          2HZ       LYS  28  -8.439  -8.141  14.848
  219   3HZ   LYS  28          3HZ       LYS  28  -9.255  -9.238  13.856
  220    H    ARG  29           H        ARG  29  -7.788  -7.587   6.529
  221    HA   ARG  29           HA       ARG  29  -8.759  -9.581   4.897
  222   1HB   ARG  29          2HB       ARG  29  -9.650  -7.307   4.879
  223   2HB   ARG  29          1HB       ARG  29  -8.168  -6.710   4.151
  224   1HG   ARG  29          2HG       ARG  29  -8.619  -8.086   2.158
  225   2HG   ARG  29          1HG       ARG  29 -10.140  -8.603   2.888
  226   1HD   ARG  29          2HD       ARG  29 -10.874  -6.257   2.970
  227   2HD   ARG  29          1HD       ARG  29  -9.370  -5.774   2.188
  228    HE   ARG  29           HE       ARG  29 -10.289  -7.490   0.395
  229   1HH1  ARG  29          1HH1      ARG  29 -11.975  -4.962   2.139
  230   2HH1  ARG  29          2HH1      ARG  29 -13.174  -4.742   0.906
  231   1HH2  ARG  29          1HH2      ARG  29 -11.863  -7.189  -1.228
  232   2HH2  ARG  29          2HH2      ARG  29 -13.098  -5.989  -1.018
  233    H    ILE  30           H        ILE  30  -5.948  -7.492   4.256
  234    HA   ILE  30           HA       ILE  30  -5.185  -8.678   1.834
  235    HB   ILE  30           HB       ILE  30  -3.409  -7.333   3.878
  236   1HG1  ILE  30          2HG1      ILE  30  -4.772  -6.147   1.451
  237   2HG1  ILE  30          1HG1      ILE  30  -5.340  -5.950   3.105
  238   1HG2  ILE  30          1HG2      ILE  30  -2.118  -8.602   2.275
  239   2HG2  ILE  30          2HG2      ILE  30  -1.944  -6.878   1.949
  240   3HG2  ILE  30          3HG2      ILE  30  -3.000  -7.863   0.940
  241   1HD1  ILE  30          1HD1      ILE  30  -3.276  -4.796   3.685
  242   2HD1  ILE  30          2HD1      ILE  30  -4.105  -3.999   2.347
  243   3HD1  ILE  30          3HD1      ILE  30  -2.691  -5.006   2.033
  244    H    TYR  31           H        TYR  31  -4.092  -9.292   5.156
  245    HA   TYR  31           HA       TYR  31  -2.096 -11.150   4.418
  246   1HB   TYR  31          2HB       TYR  31  -3.454 -10.646   7.064
  247   2HB   TYR  31          1HB       TYR  31  -2.072 -11.715   6.860
  248    HD1  TYR  31           1HD      TYR  31  -0.481 -10.074   4.897
  249    HD2  TYR  31           2HD      TYR  31  -2.563  -8.971   8.439
  250    HE1  TYR  31           1HE      TYR  31   1.043  -8.173   5.195
  251    HE2  TYR  31           2HE      TYR  31  -1.045  -7.060   8.741
  252    HH   TYR  31           HH       TYR  31   1.290  -6.444   8.050
  253    H    ASN  32           H        ASN  32  -5.450 -11.537   4.502
  254    HA   ASN  32           HA       ASN  32  -5.362 -14.362   5.167
  255   1HB   ASN  32          2HB       ASN  32  -7.533 -12.396   4.622
  256   2HB   ASN  32          1HB       ASN  32  -7.872 -14.092   4.295
  257   1HD2  ASN  32          1HD2      ASN  32  -7.138 -11.733   6.722
  258   2HD2  ASN  32          2HD2      ASN  32  -7.578 -12.707   8.091
  259    H    GLU  33           H        GLU  33  -5.516 -12.340   2.321
  260    HA   GLU  33           HA       GLU  33  -5.792 -14.765   0.677
  261   1HB   GLU  33          2HB       GLU  33  -6.607 -13.219  -1.115
  262   2HB   GLU  33          1HB       GLU  33  -7.655 -13.332   0.291
  263   1HG   GLU  33          2HG       GLU  33  -6.775 -11.216   1.129
  264   2HG   GLU  33          1HG       GLU  33  -5.718 -11.100  -0.282
  265    H    ILE  34           H        ILE  34  -3.581 -12.550   1.714
  266    HA   ILE  34           HA       ILE  34  -1.919 -12.984  -0.665
  267    HB   ILE  34           HB       ILE  34  -2.055 -10.642   1.206
  268   1HG1  ILE  34          2HG1      ILE  34  -3.380 -10.595  -0.856
  269   2HG1  ILE  34          1HG1      ILE  34  -2.101  -9.385  -0.903
  270   1HG2  ILE  34          1HG2      ILE  34   0.299 -11.328   1.152
  271   2HG2  ILE  34          2HG2      ILE  34   0.044  -9.789   0.327
  272   3HG2  ILE  34          3HG2      ILE  34   0.271 -11.266  -0.610
  273   1HD1  ILE  34          1HD1      ILE  34  -2.129 -12.046  -2.307
  274   2HD1  ILE  34          2HD1      ILE  34  -0.742 -10.960  -2.256
  275   3HD1  ILE  34          3HD1      ILE  34  -2.236 -10.446  -3.041
  276    H    SER  35           H        SER  35  -0.250 -14.222  -0.431
  277    HA   SER  35           HA       SER  35   0.550 -15.181   2.166
  278   1HB   SER  35          2HB       SER  35   0.412 -16.729   0.253
  279   2HB   SER  35          1HB       SER  35   1.638 -15.788  -0.600
  280    HG   SER  35           HG       SER  35   2.895 -17.240   0.324
  281    H    LYS  36           H        LYS  36   2.800 -15.215   2.769
  282    HA   LYS  36           HA       LYS  36   4.043 -12.723   2.903
  283   1HB   LYS  36          2HB       LYS  36   5.293 -15.463   3.209
  284   2HB   LYS  36          1HB       LYS  36   5.988 -13.952   3.780
  285   1HG   LYS  36          2HG       LYS  36   4.320 -13.685   5.422
  286   2HG   LYS  36          1HG       LYS  36   3.309 -14.937   4.703
  287   1HD   LYS  36          2HD       LYS  36   4.984 -16.615   5.280
  288   2HD   LYS  36          1HD       LYS  36   5.988 -15.363   6.015
  289   1HE   LYS  36          2HE       LYS  36   4.369 -14.958   7.712
  290   2HE   LYS  36          1HE       LYS  36   3.165 -15.948   6.887
  291   1HZ   LYS  36          1HZ       LYS  36   5.669 -16.902   8.161
  292   2HZ   LYS  36          2HZ       LYS  36   4.632 -17.879   7.245
  293   3HZ   LYS  36          3HZ       LYS  36   4.088 -17.185   8.693
  294    H    ASP  37           H        ASP  37   4.192 -15.227   0.525
  295    HA   ASP  37           HA       ASP  37   6.535 -14.543  -0.842
  296   1HB   ASP  37          2HB       ASP  37   3.944 -15.597  -2.012
  297   2HB   ASP  37          1HB       ASP  37   5.520 -15.645  -2.793
  298    H    ALA  38           H        ALA  38   3.197 -13.656  -1.709
  299    HA   ALA  38           HA       ALA  38   3.985 -11.806  -3.698
  300   1HB   ALA  38          1HB       ALA  38   1.616 -11.168  -3.757
  301   2HB   ALA  38          2HB       ALA  38   1.336 -12.107  -2.290
  302   3HB   ALA  38          3HB       ALA  38   1.827 -12.918  -3.777
  303    H    TRP  39           H        TRP  39   3.063 -11.460  -0.313
  304    HA   TRP  39           HA       TRP  39   2.839  -8.671  -0.221
  305   1HB   TRP  39          2HB       TRP  39   2.093 -10.159   1.603
  306   2HB   TRP  39          1HB       TRP  39   3.768 -10.566   1.957
  307    HD1  TRP  39           HD       TRP  39   4.959  -9.100   3.689
  308    HE1  TRP  39           1HE      TRP  39   4.423  -6.893   4.895
  309    HE3  TRP  39           3HE      TRP  39   0.748  -7.775   1.119
  310    HZ2  TRP  39           2HZ      TRP  39   2.477  -4.858   4.776
  311    HZ3  TRP  39           3HZ      TRP  39  -0.391  -5.677   1.723
  312    HH2  TRP  39           HH       TRP  39   0.453  -4.252   3.517
  313    H    ALA  40           H        ALA  40   5.642 -10.778   0.354
  314    HA   ALA  40           HA       ALA  40   7.440  -8.667   0.932
  315   1HB   ALA  40          1HB       ALA  40   9.198 -10.335   0.662
  316   2HB   ALA  40          2HB       ALA  40   8.034 -11.448  -0.055
  317   3HB   ALA  40          3HB       ALA  40   7.865 -10.960   1.630
  318    H    GLN  41           H        GLN  41   6.635 -10.396  -2.050
  319    HA   GLN  41           HA       GLN  41   8.647  -9.302  -3.671
  320   1HB   GLN  41          2HB       GLN  41   5.867 -10.203  -4.443
  321   2HB   GLN  41          1HB       GLN  41   7.148  -9.827  -5.586
  322   1HG   GLN  41          2HG       GLN  41   8.516 -11.622  -4.498
  323   2HG   GLN  41          1HG       GLN  41   7.072 -12.066  -3.587
  324   1HE2  GLN  41          1HE2      GLN  41   5.347 -11.352  -5.873
  325   2HE2  GLN  41          2HE2      GLN  41   5.509 -12.649  -7.005
  326    H    TRP  42           H        TRP  42   5.377  -8.142  -2.933
  327    HA   TRP  42           HA       TRP  42   5.440  -5.998  -4.766
  328   1HB   TRP  42          2HB       TRP  42   3.302  -6.746  -3.955
  329   2HB   TRP  42          1HB       TRP  42   3.761  -6.407  -2.286
  330    HD1  TRP  42           HD       TRP  42   2.405  -4.386  -1.511
  331    HE1  TRP  42           1HE      TRP  42   1.844  -2.063  -2.468
  332    HE3  TRP  42           3HE      TRP  42   4.496  -4.887  -6.157
  333    HZ2  TRP  42           2HZ      TRP  42   2.221  -0.639  -4.875
  334    HZ3  TRP  42           3HZ      TRP  42   4.351  -2.994  -7.723
  335    HH2  TRP  42           HH       TRP  42   3.238  -0.918  -7.094
  336    H    GLN  43           H        GLN  43   6.000  -6.062  -1.235
  337    HA   GLN  43           HA       GLN  43   6.568  -3.336  -0.987
  338   1HB   GLN  43          2HB       GLN  43   7.528  -5.684   0.649
  339   2HB   GLN  43          1HB       GLN  43   7.826  -4.010   1.091
  340   1HG   GLN  43          2HG       GLN  43   5.325  -3.685   1.052
  341   2HG   GLN  43          1HG       GLN  43   5.191  -5.436   0.916
  342   1HE2  GLN  43          1HE2      GLN  43   4.361  -3.571   3.060
  343   2HE2  GLN  43          2HE2      GLN  43   5.124  -4.162   4.493
  344    H    HIS  44           H        HIS  44   8.662  -6.068  -1.764
  345    HA   HIS  44           HA       HIS  44  11.104  -4.658  -1.740
  346   1HB   HIS  44          2HB       HIS  44  10.840  -7.155  -1.765
  347   2HB   HIS  44          1HB       HIS  44  10.386  -7.035  -3.462
  348    HD1  HIS  44           1HD      HIS  44  12.288  -7.728  -4.863
  349    HD2  HIS  44           2HD      HIS  44  13.535  -5.622  -1.503
  350    HE1  HIS  44           1HE      HIS  44  14.788  -7.584  -5.044
  351    HE2  HIS  44           2HE      HIS  44  15.509  -6.199  -3.069
  352    H    LYS  45           H        LYS  45   8.929  -5.513  -4.413
  353    HA   LYS  45           HA       LYS  45  10.321  -4.250  -6.473
  354   1HB   LYS  45          2HB       LYS  45   8.594  -5.763  -7.061
  355   2HB   LYS  45          1HB       LYS  45   7.404  -4.907  -6.094
  356   1HG   LYS  45          2HG       LYS  45   6.919  -4.453  -8.364
  357   2HG   LYS  45          1HG       LYS  45   7.614  -2.988  -7.678
  358   1HD   LYS  45          2HD       LYS  45   8.559  -3.309  -9.848
  359   2HD   LYS  45          1HD       LYS  45   9.813  -3.659  -8.656
  360   1HE   LYS  45          2HE       LYS  45   9.493  -6.031  -8.942
  361   2HE   LYS  45          1HE       LYS  45   8.100  -5.759  -9.986
  362   1HZ   LYS  45          1HZ       LYS  45   9.572  -4.719 -11.606
  363   2HZ   LYS  45          2HZ       LYS  45  10.058  -6.304 -11.273
  364   3HZ   LYS  45          3HZ       LYS  45  10.904  -5.006 -10.604
  365    H    GLN  46           H        GLN  46   7.718  -2.982  -4.392
  366    HA   GLN  46           HA       GLN  46   7.533  -0.519  -5.761
  367   1HB   GLN  46          2HB       GLN  46   5.807  -1.573  -4.199
  368   2HB   GLN  46          1HB       GLN  46   6.775  -0.917  -2.881
  369   1HG   GLN  46          2HG       GLN  46   6.569   1.321  -4.106
  370   2HG   GLN  46          1HG       GLN  46   5.270   0.546  -5.009
  371   1HE2  GLN  46          1HE2      GLN  46   5.188   2.798  -3.228
  372   2HE2  GLN  46          2HE2      GLN  46   4.065   2.400  -1.982
  373    H    THR  47           H        THR  47   9.221  -1.446  -2.758
  374    HA   THR  47           HA       THR  47  10.204   1.091  -2.110
  375    HB   THR  47           HB       THR  47  11.538  -1.582  -1.611
  376    HG1  THR  47           1HG      THR  47   9.618  -1.689  -0.576
  377   1HG2  THR  47          1HG2      THR  47  13.061   0.316  -1.275
  378   2HG2  THR  47          2HG2      THR  47  12.650  -0.462   0.255
  379   3HG2  THR  47          3HG2      THR  47  11.885   1.063  -0.195
  380    H    MET  48           H        MET  48  11.566  -1.450  -4.182
  381    HA   MET  48           HA       MET  48  13.928  -0.111  -4.913
  382   1HB   MET  48          2HB       MET  48  13.573  -2.482  -5.370
  383   2HB   MET  48          1HB       MET  48  12.258  -2.090  -6.471
  384   1HG   MET  48          2HG       MET  48  13.783  -1.043  -8.003
  385   2HG   MET  48          1HG       MET  48  15.120  -1.252  -6.873
  386   1HE   MET  48          1HE       MET  48  15.008  -2.165  -9.989
  387   2HE   MET  48          2HE       MET  48  15.826  -3.723  -9.907
  388   3HE   MET  48          3HE       MET  48  16.457  -2.349  -8.999
  389    H    LEU  49           H        LEU  49  10.706  -0.144  -6.318
  390    HA   LEU  49           HA       LEU  49  11.210   1.372  -8.615
  391   1HB   LEU  49          2HB       LEU  49   9.120   0.010  -7.786
  392   2HB   LEU  49          1HB       LEU  49   8.614   1.560  -7.141
  393    HG   LEU  49           HG       LEU  49   8.808   2.505  -9.453
  394   1HD1  LEU  49          1HD1      LEU  49   9.150  -0.402 -10.185
  395   2HD1  LEU  49          2HD1      LEU  49  10.357   0.870 -10.375
  396   3HD1  LEU  49          3HD1      LEU  49   8.871   0.918 -11.322
  397   1HD2  LEU  49          1HD2      LEU  49   6.715   1.504 -10.240
  398   2HD2  LEU  49          2HD2      LEU  49   6.656   1.835  -8.509
  399   3HD2  LEU  49          3HD2      LEU  49   6.910   0.188  -9.082
  400    H    ILE  50           H        ILE  50  10.190   2.341  -5.371
  401    HA   ILE  50           HA       ILE  50   9.836   5.086  -5.815
  402    HB   ILE  50           HB       ILE  50  10.752   3.658  -3.313
  403   1HG1  ILE  50          2HG1      ILE  50   8.001   4.627  -4.126
  404   2HG1  ILE  50          1HG1      ILE  50   8.545   2.954  -4.207
  405   1HG2  ILE  50          1HG2      ILE  50   9.679   6.461  -3.625
  406   2HG2  ILE  50          2HG2      ILE  50  11.329   6.016  -3.192
  407   3HG2  ILE  50          3HG2      ILE  50  10.000   5.648  -2.092
  408   1HD1  ILE  50          1HD1      ILE  50   7.192   3.319  -2.244
  409   2HD1  ILE  50          2HD1      ILE  50   8.264   4.619  -1.719
  410   3HD1  ILE  50          3HD1      ILE  50   8.856   2.959  -1.781
  411    H    ASN  51           H        ASN  51  12.721   3.245  -4.928
  412    HA   ASN  51           HA       ASN  51  14.355   5.561  -4.584
  413   1HB   ASN  51          2HB       ASN  51  15.024   2.633  -4.849
  414   2HB   ASN  51          1HB       ASN  51  16.244   3.878  -4.598
  415   1HD2  ASN  51          1HD2      ASN  51  16.866   3.058  -2.617
  416   2HD2  ASN  51          2HD2      ASN  51  15.870   3.166  -1.207
  417    H    GLU  52           H        GLU  52  13.721   3.355  -7.252
  418    HA   GLU  52           HA       GLU  52  15.758   4.332  -8.968
  419   1HB   GLU  52          2HB       GLU  52  13.105   3.049  -9.641
  420   2HB   GLU  52          1HB       GLU  52  14.387   3.355 -10.800
  421   1HG   GLU  52          2HG       GLU  52  15.862   1.896  -9.401
  422   2HG   GLU  52          1HG       GLU  52  14.428   1.462  -8.472
  423    H    LYS  53           H        LYS  53  12.289   5.051  -8.772
  424    HA   LYS  53           HA       LYS  53  12.354   7.074 -10.761
  425   1HB   LYS  53          2HB       LYS  53  10.329   6.504  -8.592
  426   2HB   LYS  53          1HB       LYS  53  10.081   7.631  -9.920
  427   1HG   LYS  53          2HG       LYS  53  10.286   5.797 -11.515
  428   2HG   LYS  53          1HG       LYS  53  10.552   4.673 -10.183
  429   1HD   LYS  53          2HD       LYS  53   8.344   5.084  -9.322
  430   2HD   LYS  53          1HD       LYS  53   8.074   6.357 -10.513
  431   1HE   LYS  53          2HE       LYS  53   8.540   3.449 -11.156
  432   2HE   LYS  53          1HE       LYS  53   6.963   4.234 -11.105
  433   1HZ   LYS  53          1HZ       LYS  53   9.195   4.888 -12.951
  434   2HZ   LYS  53          2HZ       LYS  53   7.731   5.726 -12.875
  435   3HZ   LYS  53          3HZ       LYS  53   7.752   4.107 -13.357
  436    H    LYS  54           H        LYS  54  12.971   7.023  -7.377
  437    HA   LYS  54           HA       LYS  54  13.346   8.564  -5.781
  438   1HB   LYS  54          2HB       LYS  54  14.227  10.217  -8.148
  439   2HB   LYS  54          1HB       LYS  54  14.460  10.700  -6.473
  440   1HG   LYS  54          2HG       LYS  54  15.729   8.543  -6.156
  441   2HG   LYS  54          1HG       LYS  54  15.674   8.356  -7.908
  442   1HD   LYS  54          2HD       LYS  54  16.858  10.461  -8.193
  443   2HD   LYS  54          1HD       LYS  54  16.860  10.716  -6.445
  444   1HE   LYS  54          2HE       LYS  54  18.142   8.592  -6.209
  445   2HE   LYS  54          1HE       LYS  54  18.247   8.511  -7.966
  446   1HZ   LYS  54          1HZ       LYS  54  20.237   9.471  -7.022
  447   2HZ   LYS  54          2HZ       LYS  54  19.338  10.676  -6.256
  448   3HZ   LYS  54          3HZ       LYS  54  19.422  10.633  -7.946
  449    H    LEU  55           H        LEU  55  11.114   8.563  -5.350
  450    HA   LEU  55           HA       LEU  55   9.848  11.141  -5.907
  451   1HB   LEU  55          2HB       LEU  55   7.657   9.960  -6.107
  452   2HB   LEU  55          1HB       LEU  55   8.770   9.658  -7.426
  453    HG   LEU  55           HG       LEU  55   9.362   7.484  -6.129
  454   1HD1  LEU  55          1HD1      LEU  55   7.539   6.580  -4.791
  455   2HD1  LEU  55          2HD1      LEU  55   6.658   8.099  -4.943
  456   3HD1  LEU  55          3HD1      LEU  55   8.185   8.051  -4.062
  457   1HD2  LEU  55          1HD2      LEU  55   7.562   6.293  -7.249
  458   2HD2  LEU  55          2HD2      LEU  55   8.208   7.565  -8.285
  459   3HD2  LEU  55          3HD2      LEU  55   6.672   7.803  -7.451
  460    H    ASN  56           H        ASN  56   8.216  11.736  -4.304
  461    HA   ASN  56           HA       ASN  56   8.904  10.567  -1.696
  462   1HB   ASN  56          2HB       ASN  56   7.947  13.335  -2.430
  463   2HB   ASN  56          1HB       ASN  56   8.072  12.760  -0.769
  464   1HD2  ASN  56          1HD2      ASN  56  10.113  12.409   0.121
  465   2HD2  ASN  56          2HD2      ASN  56  11.545  13.070  -0.585
  466    H    MET  57           H        MET  57   7.379   9.768  -0.394
  467    HA   MET  57           HA       MET  57   4.680   9.514  -1.417
  468   1HB   MET  57          2HB       MET  57   6.071   8.365   1.004
  469   2HB   MET  57          1HB       MET  57   4.358   8.123   0.685
  470   1HG   MET  57          2HG       MET  57   6.636   7.278  -1.088
  471   2HG   MET  57          1HG       MET  57   5.640   6.225  -0.082
  472   1HE   MET  57          1HE       MET  57   6.186   5.904  -3.283
  473   2HE   MET  57          2HE       MET  57   4.580   5.406  -3.818
  474   3HE   MET  57          3HE       MET  57   5.259   4.743  -2.333
  475    H    MET  58           H        MET  58   6.319  11.764   0.302
  476    HA   MET  58           HA       MET  58   4.319  12.606   2.155
  477   1HB   MET  58          2HB       MET  58   6.547  14.190   0.851
  478   2HB   MET  58          1HB       MET  58   5.594  14.722   2.227
  479   1HG   MET  58          2HG       MET  58   6.488  12.883   3.559
  480   2HG   MET  58          1HG       MET  58   7.435  12.341   2.173
  481   1HE   MET  58          1HE       MET  58  10.161  13.810   4.590
  482   2HE   MET  58          2HE       MET  58   9.661  12.404   3.652
  483   3HE   MET  58          3HE       MET  58   8.704  12.924   5.038
  484    H    ASN  59           H        ASN  59   4.706  12.738  -1.196
  485    HA   ASN  59           HA       ASN  59   3.023  15.068  -1.603
  486   1HB   ASN  59          2HB       ASN  59   4.277  13.149  -3.584
  487   2HB   ASN  59          1HB       ASN  59   3.391  14.605  -4.013
  488   1HD2  ASN  59          1HD2      ASN  59   5.152  15.426  -5.107
  489   2HD2  ASN  59          2HD2      ASN  59   6.523  16.086  -4.270
  490    H    ALA  60           H        ALA  60   0.917  15.008  -2.208
  491    HA   ALA  60           HA       ALA  60  -0.629  12.698  -1.747
  492   1HB   ALA  60          1HB       ALA  60  -2.502  13.999  -2.648
  493   2HB   ALA  60          2HB       ALA  60  -1.368  15.215  -3.239
  494   3HB   ALA  60          3HB       ALA  60  -1.545  14.941  -1.507
  495    H    GLU  61           H        GLU  61   1.061  13.826  -4.512
  496    HA   GLU  61           HA       GLU  61  -0.211  12.546  -6.620
  497   1HB   GLU  61          2HB       GLU  61   2.783  12.537  -6.265
  498   2HB   GLU  61          1HB       GLU  61   1.876  12.580  -7.764
  499   1HG   GLU  61          2HG       GLU  61   1.239  14.850  -7.395
  500   2HG   GLU  61          1HG       GLU  61   1.919  14.823  -5.768
  501    H    HIS  62           H        HIS  62   2.339  11.314  -4.485
  502    HA   HIS  62           HA       HIS  62   2.139   8.725  -5.792
  503   1HB   HIS  62          2HB       HIS  62   4.155   9.746  -3.783
  504   2HB   HIS  62          1HB       HIS  62   4.241   8.205  -4.634
  505    HD1  HIS  62           1HD      HIS  62   4.484   8.403  -7.316
  506    HD2  HIS  62           2HD      HIS  62   5.246  11.860  -5.133
  507    HE1  HIS  62           1HE      HIS  62   5.692   9.947  -8.890
  508    HE2  HIS  62           2HE      HIS  62   5.992  12.089  -7.602
  509    H    ARG  63           H        ARG  63   1.112  10.261  -2.931
  510    HA   ARG  63           HA       ARG  63   0.920   8.036  -1.216
  511   1HB   ARG  63          2HB       ARG  63   0.607  10.343  -0.436
  512   2HB   ARG  63          1HB       ARG  63  -0.862  10.479  -1.391
  513   1HG   ARG  63          2HG       ARG  63  -1.347  10.112   0.969
  514   2HG   ARG  63          1HG       ARG  63  -1.933   8.778  -0.027
  515   1HD   ARG  63          2HD       ARG  63  -0.887   7.928   1.992
  516   2HD   ARG  63          1HD       ARG  63   0.056   7.472   0.576
  517    HE   ARG  63           HE       ARG  63   1.097   9.863   1.600
  518   1HH1  ARG  63          1HH1      ARG  63   0.829   6.483   2.466
  519   2HH1  ARG  63          2HH1      ARG  63   2.261   6.482   3.441
  520   1HH2  ARG  63          1HH2      ARG  63   2.987   9.867   2.900
  521   2HH2  ARG  63          2HH2      ARG  63   3.479   8.407   3.693
  522    H    LYS  64           H        LYS  64  -1.443   9.431  -3.496
  523    HA   LYS  64           HA       LYS  64  -3.280   7.276  -3.140
  524   1HB   LYS  64          2HB       LYS  64  -4.453   8.216  -5.119
  525   2HB   LYS  64          1HB       LYS  64  -4.164   9.399  -3.854
  526   1HG   LYS  64          2HG       LYS  64  -2.424  10.428  -5.087
  527   2HG   LYS  64          1HG       LYS  64  -2.387   9.108  -6.259
  528   1HD   LYS  64          2HD       LYS  64  -4.540   9.715  -7.111
  529   2HD   LYS  64          1HD       LYS  64  -4.779  10.885  -5.813
  530   1HE   LYS  64          2HE       LYS  64  -2.563  11.084  -7.839
  531   2HE   LYS  64          1HE       LYS  64  -4.135  11.857  -8.040
  532   1HZ   LYS  64          1HZ       LYS  64  -2.440  13.343  -7.091
  533   2HZ   LYS  64          2HZ       LYS  64  -2.312  12.326  -5.744
  534   3HZ   LYS  64          3HZ       LYS  64  -3.766  13.132  -6.061
  535    H    LEU  65           H        LEU  65  -0.674   8.001  -5.411
  536    HA   LEU  65           HA       LEU  65  -1.069   5.960  -7.258
  537   1HB   LEU  65          2HB       LEU  65   0.681   7.702  -7.452
  538   2HB   LEU  65          1HB       LEU  65   1.573   6.925  -6.158
  539    HG   LEU  65           HG       LEU  65   1.774   4.891  -7.589
  540   1HD1  LEU  65          1HD1      LEU  65  -0.123   5.253  -9.052
  541   2HD1  LEU  65          2HD1      LEU  65   1.366   5.124  -9.989
  542   3HD1  LEU  65          3HD1      LEU  65   0.637   6.705  -9.709
  543   1HD2  LEU  65          1HD2      LEU  65   2.906   7.450  -8.711
  544   2HD2  LEU  65          2HD2      LEU  65   3.510   5.827  -9.044
  545   3HD2  LEU  65          3HD2      LEU  65   3.600   6.483  -7.409
  546    H    LEU  66           H        LEU  66   0.714   5.886  -4.186
  547    HA   LEU  66           HA       LEU  66   1.444   3.258  -4.000
  548   1HB   LEU  66          2HB       LEU  66   2.070   4.616  -2.209
  549   2HB   LEU  66          1HB       LEU  66   0.440   5.218  -1.970
  550    HG   LEU  66           HG       LEU  66  -0.122   2.803  -1.277
  551   1HD1  LEU  66          1HD1      LEU  66   1.694   1.529  -0.320
  552   2HD1  LEU  66          2HD1      LEU  66   2.852   2.749  -0.848
  553   3HD1  LEU  66          3HD1      LEU  66   1.968   1.798  -2.041
  554   1HD2  LEU  66          1HD2      LEU  66   0.555   3.273   1.040
  555   2HD2  LEU  66          2HD2      LEU  66  -0.145   4.687   0.253
  556   3HD2  LEU  66          3HD2      LEU  66   1.603   4.569   0.457
  557    H    GLU  67           H        GLU  67  -1.672   4.582  -2.866
  558    HA   GLU  67           HA       GLU  67  -2.915   2.178  -2.245
  559   1HB   GLU  67          2HB       GLU  67  -3.952   4.190  -1.548
  560   2HB   GLU  67          1HB       GLU  67  -4.005   4.824  -3.183
  561   1HG   GLU  67          2HG       GLU  67  -5.532   2.344  -2.618
  562   2HG   GLU  67          1HG       GLU  67  -6.148   3.864  -1.969
  563    H    GLN  68           H        GLN  68  -2.768   3.883  -5.322
  564    HA   GLN  68           HA       GLN  68  -4.485   2.241  -6.780
  565   1HB   GLN  68          2HB       GLN  68  -2.122   3.906  -7.641
  566   2HB   GLN  68          1HB       GLN  68  -3.216   3.123  -8.770
  567   1HG   GLN  68          2HG       GLN  68  -5.075   4.407  -7.919
  568   2HG   GLN  68          1HG       GLN  68  -4.041   5.137  -6.692
  569   1HE2  GLN  68          1HE2      GLN  68  -4.923   5.092 -10.036
  570   2HE2  GLN  68          2HE2      GLN  68  -4.084   6.531 -10.485
  571    H    GLU  69           H        GLU  69  -0.912   2.160  -6.781
  572    HA   GLU  69           HA       GLU  69  -0.769  -0.126  -8.431
  573   1HB   GLU  69          2HB       GLU  69   1.381   0.736  -6.503
  574   2HB   GLU  69          1HB       GLU  69   1.571  -0.082  -8.048
  575   1HG   GLU  69          2HG       GLU  69   0.644   1.985  -9.134
  576   2HG   GLU  69          1HG       GLU  69   0.758   2.765  -7.553
  577    H    MET  70           H        MET  70  -0.655   0.278  -4.926
  578    HA   MET  70           HA       MET  70   0.206  -2.288  -4.230
  579   1HB   MET  70          2HB       MET  70   0.145  -0.430  -2.640
  580   2HB   MET  70          1HB       MET  70  -1.609  -0.410  -2.706
  581   1HG   MET  70          2HG       MET  70  -1.682  -2.637  -1.710
  582   2HG   MET  70          1HG       MET  70   0.079  -2.673  -1.655
  583   1HE   MET  70          1HE       MET  70  -3.174  -0.959  -0.293
  584   2HE   MET  70          2HE       MET  70  -2.271   0.421  -0.921
  585   3HE   MET  70          3HE       MET  70  -2.512   0.242   0.816
  586    H    VAL  71           H        VAL  71  -3.128  -1.038  -4.360
  587    HA   VAL  71           HA       VAL  71  -4.346  -3.491  -3.700
  588    HB   VAL  71           HB       VAL  71  -5.507  -1.133  -5.191
  589   1HG1  VAL  71          1HG1      VAL  71  -6.934  -3.377  -3.773
  590   2HG1  VAL  71          2HG1      VAL  71  -6.813  -3.195  -5.521
  591   3HG1  VAL  71          3HG1      VAL  71  -7.685  -1.994  -4.568
  592   1HG2  VAL  71          1HG2      VAL  71  -5.580  -1.877  -2.271
  593   2HG2  VAL  71          2HG2      VAL  71  -6.447  -0.528  -3.005
  594   3HG2  VAL  71          3HG2      VAL  71  -4.683  -0.538  -2.986
  595    H    SER  72           H        SER  72  -3.467  -2.050  -6.805
  596    HA   SER  72           HA       SER  72  -4.846  -3.997  -8.368
  597   1HB   SER  72          2HB       SER  72  -2.656  -2.055  -9.120
  598   2HB   SER  72          1HB       SER  72  -3.580  -3.026 -10.265
  599    HG   SER  72           HG       SER  72  -4.884  -1.374 -10.232
  600    H    PHE  73           H        PHE  73  -1.908  -4.106  -6.649
  601    HA   PHE  73           HA       PHE  73  -0.892  -6.257  -8.356
  602   1HB   PHE  73          2HB       PHE  73   0.678  -4.492  -7.567
  603   2HB   PHE  73          1HB       PHE  73   0.397  -5.025  -5.914
  604    HD1  PHE  73           1HD      PHE  73   1.971  -5.837  -9.112
  605    HD2  PHE  73           2HD      PHE  73   1.339  -7.106  -5.099
  606    HE1  PHE  73           1HE      PHE  73   3.773  -7.497  -9.355
  607    HE2  PHE  73           2HE      PHE  73   3.140  -8.764  -5.335
  608    HZ   PHE  73           HZ       PHE  73   4.359  -8.960  -7.467
  609    H    LEU  74           H        LEU  74  -1.920  -5.657  -5.017
  610    HA   LEU  74           HA       LEU  74  -1.485  -8.384  -4.239
  611   1HB   LEU  74          2HB       LEU  74  -2.890  -6.113  -2.836
  612   2HB   LEU  74          1HB       LEU  74  -2.556  -7.674  -2.113
  613    HG   LEU  74           HG       LEU  74  -0.449  -5.741  -3.093
  614   1HD1  LEU  74          1HD1      LEU  74  -1.381  -6.398  -0.302
  615   2HD1  LEU  74          2HD1      LEU  74  -1.592  -4.863  -1.145
  616   3HD1  LEU  74          3HD1      LEU  74   0.025  -5.412  -0.703
  617   1HD2  LEU  74          1HD2      LEU  74  -0.210  -8.321  -1.544
  618   2HD2  LEU  74          2HD2      LEU  74   1.115  -7.226  -1.934
  619   3HD2  LEU  74          3HD2      LEU  74   0.263  -8.073  -3.224
  620    H    PHE  75           H        PHE  75  -4.397  -6.381  -4.751
  621    HA   PHE  75           HA       PHE  75  -6.046  -8.795  -4.643
  622   1HB   PHE  75          2HB       PHE  75  -6.852  -5.884  -4.866
  623   2HB   PHE  75          1HB       PHE  75  -7.963  -7.235  -4.701
  624    HD1  PHE  75           1HD      PHE  75  -5.932  -8.623  -2.644
  625    HD2  PHE  75           2HD      PHE  75  -7.872  -4.843  -2.910
  626    HE1  PHE  75           1HE      PHE  75  -5.845  -8.410  -0.197
  627    HE2  PHE  75           2HE      PHE  75  -7.783  -4.622  -0.461
  628    HZ   PHE  75           HZ       PHE  75  -6.772  -6.409   0.898
  629    H    GLU  76           H        GLU  76  -4.448  -6.866  -6.847
  630    HA   GLU  76           HA       GLU  76  -4.207  -6.946  -9.087
  631   1HB   GLU  76          2HB       GLU  76  -6.198  -9.203  -8.921
  632   2HB   GLU  76          1HB       GLU  76  -5.380  -8.719 -10.397
  633   1HG   GLU  76          2HG       GLU  76  -3.213  -9.215  -9.295
  634   2HG   GLU  76          1HG       GLU  76  -4.111  -9.820  -7.902
  635    H    GLY  77           H        GLY  77  -7.688  -7.687  -8.773
  636   1HA   GLY  77          2HA       GLY  77  -8.102  -5.818 -10.973
  637   2HA   GLY  77          1HA       GLY  77  -9.232  -7.044 -10.429
  638    H    LYS  78           H        LYS  78  -7.940  -3.836  -9.768
  639    HA   LYS  78           HA       LYS  78 -10.547  -3.253  -8.547
  640   1HB   LYS  78          2HB       LYS  78  -9.538  -1.483  -7.207
  641   2HB   LYS  78          1HB       LYS  78  -8.811  -3.037  -6.847
  642   1HG   LYS  78          2HG       LYS  78  -6.955  -1.737  -6.899
  643   2HG   LYS  78          1HG       LYS  78  -7.016  -2.225  -8.590
  644   1HD   LYS  78          2HD       LYS  78  -7.772  -0.147  -9.292
  645   2HD   LYS  78          1HD       LYS  78  -8.383   0.282  -7.693
  646   1HE   LYS  78          2HE       LYS  78  -5.457  -0.067  -8.320
  647   2HE   LYS  78          1HE       LYS  78  -6.288   1.483  -8.405
  648   1HZ   LYS  78          1HZ       LYS  78  -6.420   1.641  -6.157
  649   2HZ   LYS  78          2HZ       LYS  78  -5.064   0.624  -6.222
  650   3HZ   LYS  78          3HZ       LYS  78  -6.598  -0.026  -5.936
  651    H    ASP  79           H        ASP  79 -11.201  -0.903  -8.857
  652    HA   ASP  79           HA       ASP  79 -11.175  -0.713 -11.756
  653   1HB   ASP  79          2HB       ASP  79 -12.988   0.524  -9.692
  654   2HB   ASP  79          1HB       ASP  79 -13.180   0.728 -11.432
  655    H    VAL  80           H        VAL  80  -9.854   1.063  -9.147
  656    HA   VAL  80           HA       VAL  80  -9.804   3.620 -10.355
  657    HB   VAL  80           HB       VAL  80  -7.851   2.445  -8.368
  658   1HG1  VAL  80          1HG1      VAL  80  -8.379   5.311  -9.126
  659   2HG1  VAL  80          2HG1      VAL  80  -6.920   4.386  -9.480
  660   3HG1  VAL  80          3HG1      VAL  80  -7.333   4.774  -7.811
  661   1HG2  VAL  80          1HG2      VAL  80 -10.320   4.117  -7.921
  662   2HG2  VAL  80          2HG2      VAL  80  -9.173   3.630  -6.676
  663   3HG2  VAL  80          3HG2      VAL  80 -10.131   2.412  -7.518
  664    H    HIS  81           H        HIS  81  -8.728   4.288 -12.079
  665    HA   HIS  81           HA       HIS  81  -7.024   2.446 -13.482
  666   1HB   HIS  81          2HB       HIS  81  -7.994   5.231 -14.129
  667   2HB   HIS  81          1HB       HIS  81  -6.904   4.335 -15.180
  668    HD1  HIS  81           1HD      HIS  81  -7.919   2.523 -16.651
  669    HD2  HIS  81           2HD      HIS  81 -10.631   4.194 -13.977
  670    HE1  HIS  81           1HE      HIS  81 -10.185   1.722 -17.390
  671    HE2  HIS  81           2HE      HIS  81 -11.786   2.603 -15.654
  672    H    ILE  82           H        ILE  82  -4.880   2.433 -13.629
  673    HA   ILE  82           HA       ILE  82  -3.395   4.556 -12.232
  674    HB   ILE  82           HB       ILE  82  -2.247   1.916 -13.134
  675   1HG1  ILE  82          2HG1      ILE  82  -3.545   2.554 -10.482
  676   2HG1  ILE  82          1HG1      ILE  82  -4.157   1.430 -11.684
  677   1HG2  ILE  82          1HG2      ILE  82  -0.581   2.372 -11.410
  678   2HG2  ILE  82          2HG2      ILE  82  -1.415   3.869 -10.990
  679   3HG2  ILE  82          3HG2      ILE  82  -0.663   3.692 -12.576
  680   1HD1  ILE  82          1HD1      ILE  82  -1.601   1.149 -10.132
  681   2HD1  ILE  82          2HD1      ILE  82  -2.175   0.033 -11.370
  682   3HD1  ILE  82          3HD1      ILE  82  -3.091   0.243  -9.876
  683    H    GLU  83           H        GLU  83  -2.663   6.094 -13.567
  684    HA   GLU  83           HA       GLU  83  -1.695   7.154 -15.325
  685   1HB   GLU  83          2HB       GLU  83  -0.609   4.379 -15.784
  686   2HB   GLU  83          1HB       GLU  83  -0.187   5.736 -16.820
  687   1HG   GLU  83          2HG       GLU  83   0.207   5.800 -13.846
  688   2HG   GLU  83          1HG       GLU  83   1.425   5.165 -14.953
  689    H    GLY  84           H        GLY  84  -4.362   5.861 -15.503
  690   1HA   GLY  84          2HA       GLY  84  -4.601   5.291 -18.356
  691   2HA   GLY  84          1HA       GLY  84  -5.869   5.111 -17.150
  692    H    TYR  85           H        TYR  85  -4.103   8.004 -16.999
  693    HA   TYR  85           HA       TYR  85  -4.536  10.166 -17.454
  694   1HB   TYR  85          2HB       TYR  85  -5.978   8.907 -19.772
  695   2HB   TYR  85          1HB       TYR  85  -5.973  10.652 -19.529
  696    HD1  TYR  85           1HD      TYR  85  -4.093  11.957 -20.105
  697    HD2  TYR  85           2HD      TYR  85  -3.782   7.714 -20.080
  698    HE1  TYR  85           1HE      TYR  85  -1.893  12.116 -21.192
  699    HE2  TYR  85           2HE      TYR  85  -1.583   7.864 -21.167
  700    HH   TYR  85           HH       TYR  85  -0.332   9.459 -22.585
  701    H    THR  86           H        THR  86  -6.434   8.403 -15.838
  702    HA   THR  86           HA       THR  86  -8.745  10.158 -15.769
  703    HB   THR  86           HB       THR  86  -9.374   8.758 -13.752
  704    HG1  THR  86           1HG      THR  86  -8.024   7.273 -13.063
  705   1HG2  THR  86          1HG2      THR  86  -8.888   7.288 -16.346
  706   2HG2  THR  86          2HG2      THR  86 -10.286   8.294 -15.973
  707   3HG2  THR  86          3HG2      THR  86 -10.013   6.799 -15.079
  708    HA   PRO  87           HA       PRO  87  -6.378  12.875 -13.133
  709   1HB   PRO  87          2HB       PRO  87  -8.832  14.398 -12.733
  710   2HB   PRO  87          1HB       PRO  87  -7.363  14.859 -13.593
  711   1HG   PRO  87          2HG       PRO  87  -9.713  14.364 -14.852
  712   2HG   PRO  87          1HG       PRO  87  -8.136  14.066 -15.602
  713   1HD   PRO  87          2HD       PRO  87 -10.034  12.125 -14.342
  714   2HD   PRO  87          1HD       PRO  87  -9.045  11.954 -15.810
  715    H    GLU  88           H        GLU  88  -8.576  10.700 -12.119
  716    HA   GLU  88           HA       GLU  88  -9.440   9.987 -10.150
  717   1HB   GLU  88          2HB       GLU  88  -7.167  11.659  -9.064
  718   2HB   GLU  88          1HB       GLU  88  -8.146  10.578  -8.084
  719   1HG   GLU  88          2HG       GLU  88  -6.467   9.739 -10.435
  720   2HG   GLU  88          1HG       GLU  88  -5.997   9.593  -8.743
  721    H    ASP  89           H        ASP  89 -10.482  12.323 -11.404
  722    HA   ASP  89           HA       ASP  89 -11.042  14.492  -9.802
  723   1HB   ASP  89          2HB       ASP  89 -13.183  14.632 -11.220
  724   2HB   ASP  89          1HB       ASP  89 -11.642  14.660 -12.069
  725    H    LYS  90           H        LYS  90 -13.539  12.000 -10.411
  726    HA   LYS  90           HA       LYS  90 -14.444  12.339  -7.652
  727   1HB   LYS  90          2HB       LYS  90 -16.054  12.287  -9.619
  728   2HB   LYS  90          1HB       LYS  90 -15.664  10.582  -9.789
  729   1HG   LYS  90          2HG       LYS  90 -16.522  10.131  -7.573
  730   2HG   LYS  90          1HG       LYS  90 -16.835  11.848  -7.320
  731   1HD   LYS  90          2HD       LYS  90 -18.406  11.789  -9.245
  732   2HD   LYS  90          1HD       LYS  90 -18.151  10.046  -9.350
  733   1HE   LYS  90          2HE       LYS  90 -20.197  10.559  -8.124
  734   2HE   LYS  90          1HE       LYS  90 -19.014   9.774  -7.081
  735   1HZ   LYS  90          1HZ       LYS  90 -20.102  11.650  -5.989
  736   2HZ   LYS  90          2HZ       LYS  90 -19.531  12.700  -7.183
  737   3HZ   LYS  90          3HZ       LYS  90 -18.442  11.919  -6.151
  738    H    LYS  91           H        LYS  91 -12.597  10.303  -9.639
  739    HA   LYS  91           HA       LYS  91 -11.325   8.470  -9.277
  740   1HB   LYS  91          2HB       LYS  91 -10.764   9.595  -7.134
  741   2HB   LYS  91          1HB       LYS  91 -12.108   8.758  -6.374
  742   1HG   LYS  91          2HG       LYS  91 -11.013   6.602  -6.978
  743   2HG   LYS  91          1HG       LYS  91  -9.615   7.532  -7.525
  744   1HD   LYS  91          2HD       LYS  91  -9.457   8.530  -5.261
  745   2HD   LYS  91          1HD       LYS  91 -10.768   7.468  -4.739
  746   1HE   LYS  91          2HE       LYS  91  -8.766   6.407  -4.079
  747   2HE   LYS  91          1HE       LYS  91  -9.333   5.533  -5.500
  748   1HZ   LYS  91          1HZ       LYS  91  -7.205   7.600  -5.462
  749   2HZ   LYS  91          2HZ       LYS  91  -7.757   6.812  -6.853
  750   3HZ   LYS  91          3HZ       LYS  91  -6.969   5.931  -5.624
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1   1.026 -24.875  14.607
    2   2H    MET   1          2HT       MET   1  -0.031 -23.599  14.278
    3   3H    MET   1          3HT       MET   1   1.621 -23.427  13.967
    4    HA   MET   1           HA       MET   1   1.531 -25.088  12.259
    5   1HB   MET   1          2HB       MET   1  -0.249 -26.465  13.208
    6   2HB   MET   1          1HB       MET   1  -1.413 -25.175  12.958
    7   1HG   MET   1          2HG       MET   1  -1.676 -26.863  11.264
    8   2HG   MET   1          1HG       MET   1  -1.097 -25.365  10.538
    9   1HE   MET   1          1HE       MET   1  -1.025 -28.181   9.059
   10   2HE   MET   1          2HE       MET   1   0.572 -28.113   8.314
   11   3HE   MET   1          3HE       MET   1  -0.449 -26.678   8.336
   12    H    SER   2           H        SER   2   1.828 -23.955  10.449
   13    HA   SER   2           HA       SER   2   0.642 -21.368  10.134
   14   1HB   SER   2          2HB       SER   2   2.243 -22.980   8.130
   15   2HB   SER   2          1HB       SER   2   1.938 -21.245   8.080
   16    HG   SER   2           HG       SER   2   3.051 -22.117  10.439
   17    H    ARG   3           H        ARG   3  -1.169 -20.842   9.072
   18    HA   ARG   3           HA       ARG   3  -2.826 -22.982   8.093
   19   1HB   ARG   3          2HB       ARG   3  -3.768 -21.179   9.478
   20   2HB   ARG   3          1HB       ARG   3  -3.358 -20.008   8.232
   21   1HG   ARG   3          2HG       ARG   3  -5.719 -20.578   8.164
   22   2HG   ARG   3          1HG       ARG   3  -4.898 -21.098   6.690
   23   1HD   ARG   3          2HD       ARG   3  -4.778 -23.378   7.549
   24   2HD   ARG   3          1HD       ARG   3  -5.553 -22.868   9.046
   25    HE   ARG   3           HE       ARG   3  -7.384 -22.141   7.263
   26   1HH1  ARG   3          1HH1      ARG   3  -5.566 -25.114   7.555
   27   2HH1  ARG   3          2HH1      ARG   3  -6.816 -26.101   6.876
   28   1HH2  ARG   3          1HH2      ARG   3  -9.034 -23.419   6.361
   29   2HH2  ARG   3          2HH2      ARG   3  -8.809 -25.131   6.203
   30    H    THR   4           H        THR   4  -3.101 -23.579   6.076
   31    HA   THR   4           HA       THR   4  -1.797 -22.135   3.935
   32    HB   THR   4           HB       THR   4  -2.646 -24.081   2.542
   33    HG1  THR   4           1HG      THR   4  -4.348 -24.782   3.840
   34   1HG2  THR   4          1HG2      THR   4  -0.923 -24.685   4.952
   35   2HG2  THR   4          2HG2      THR   4  -0.369 -24.041   3.406
   36   3HG2  THR   4          3HG2      THR   4  -1.022 -25.677   3.498
   37    H    ILE   5           H        ILE   5  -2.880 -20.397   3.259
   38    HA   ILE   5           HA       ILE   5  -5.783 -20.593   2.866
   39    HB   ILE   5           HB       ILE   5  -5.667 -18.079   2.640
   40   1HG1  ILE   5          2HG1      ILE   5  -3.611 -17.127   3.928
   41   2HG1  ILE   5          1HG1      ILE   5  -2.823 -18.625   3.455
   42   1HG2  ILE   5          1HG2      ILE   5  -6.456 -19.179   4.658
   43   2HG2  ILE   5          2HG2      ILE   5  -5.560 -17.714   5.059
   44   3HG2  ILE   5          3HG2      ILE   5  -4.802 -19.294   5.258
   45   1HD1  ILE   5          1HD1      ILE   5  -2.274 -16.821   1.936
   46   2HD1  ILE   5          2HD1      ILE   5  -3.984 -16.569   1.586
   47   3HD1  ILE   5          3HD1      ILE   5  -3.197 -18.074   1.106
   48    H    PHE   6           H        PHE   6  -6.577 -19.238   0.940
   49    HA   PHE   6           HA       PHE   6  -4.938 -19.990  -1.371
   50   1HB   PHE   6          2HB       PHE   6  -7.885 -19.328  -1.174
   51   2HB   PHE   6          1HB       PHE   6  -7.043 -19.661  -2.683
   52    HD1  PHE   6           1HD      PHE   6  -5.834 -21.913  -2.869
   53    HD2  PHE   6           2HD      PHE   6  -8.818 -21.066   0.047
   54    HE1  PHE   6           1HE      PHE   6  -6.217 -24.323  -2.565
   55    HE2  PHE   6           2HE      PHE   6  -9.206 -23.474   0.356
   56    HZ   PHE   6           HZ       PHE   6  -7.899 -25.105  -0.953
   57    H    CYS   7           H        CYS   7  -3.558 -18.372  -1.704
   58    HA   CYS   7           HA       CYS   7  -4.116 -15.653  -1.195
   59   1HB   CYS   7          2HB       CYS   7  -1.837 -16.535  -1.188
   60   2HB   CYS   7          1HB       CYS   7  -1.958 -16.897  -2.907
   61    HG   CYS   7           HG       CYS   7  -2.499 -13.691  -2.013
   62    H    THR   8           H        THR   8  -4.898 -14.065  -2.425
   63    HA   THR   8           HA       THR   8  -6.493 -14.588  -4.649
   64    HB   THR   8           HB       THR   8  -6.339 -12.030  -4.949
   65    HG1  THR   8           1HG      THR   8  -4.806 -11.112  -3.820
   66   1HG2  THR   8          1HG2      THR   8  -8.176 -13.138  -3.772
   67   2HG2  THR   8          2HG2      THR   8  -7.729 -11.638  -2.959
   68   3HG2  THR   8          3HG2      THR   8  -7.212 -13.189  -2.296
   69    H    TYR   9           H        TYR   9  -3.245 -13.186  -4.482
   70    HA   TYR   9           HA       TYR   9  -3.092 -12.666  -7.281
   71   1HB   TYR   9          2HB       TYR   9  -1.889 -11.307  -5.647
   72   2HB   TYR   9          1HB       TYR   9  -0.945 -12.704  -5.151
   73    HD1  TYR   9           1HD      TYR   9   1.199 -12.836  -5.978
   74    HD2  TYR   9           2HD      TYR   9  -1.757 -10.854  -8.307
   75    HE1  TYR   9           1HE      TYR   9   2.906 -12.269  -7.653
   76    HE2  TYR   9           2HE      TYR   9  -0.055 -10.282  -9.989
   77    HH   TYR   9           HH       TYR   9   2.376 -10.005 -10.131
   78    H    LEU  10           H        LEU  10  -1.973 -15.273  -5.198
   79    HA   LEU  10           HA       LEU  10  -0.401 -16.445  -7.333
   80   1HB   LEU  10          2HB       LEU  10  -0.937 -17.418  -4.532
   81   2HB   LEU  10          1HB       LEU  10   0.162 -18.176  -5.668
   82    HG   LEU  10           HG       LEU  10   0.467 -15.395  -4.524
   83   1HD1  LEU  10          1HD1      LEU  10   1.984 -17.941  -3.972
   84   2HD1  LEU  10          2HD1      LEU  10   0.874 -17.130  -2.867
   85   3HD1  LEU  10          3HD1      LEU  10   2.382 -16.344  -3.337
   86   1HD2  LEU  10          1HD2      LEU  10   2.677 -15.454  -5.591
   87   2HD2  LEU  10          2HD2      LEU  10   1.373 -15.538  -6.774
   88   3HD2  LEU  10          3HD2      LEU  10   2.265 -16.997  -6.341
   89    H    GLN  11           H        GLN  11  -3.511 -16.895  -5.835
   90    HA   GLN  11           HA       GLN  11  -5.262 -18.267  -6.275
   91   1HB   GLN  11          2HB       GLN  11  -3.808 -18.391  -8.903
   92   2HB   GLN  11          1HB       GLN  11  -5.285 -19.306  -8.633
   93   1HG   GLN  11          2HG       GLN  11  -4.997 -16.318  -8.412
   94   2HG   GLN  11          1HG       GLN  11  -5.727 -17.196  -9.756
   95   1HE2  GLN  11          1HE2      GLN  11  -6.130 -16.076  -6.517
   96   2HE2  GLN  11          2HE2      GLN  11  -7.801 -16.488  -6.358
   97    H    ARG  12           H        ARG  12  -3.096 -19.356  -4.839
   98    HA   ARG  12           HA       ARG  12  -3.611 -22.178  -5.251
   99   1HB   ARG  12          2HB       ARG  12  -1.304 -22.842  -5.380
  100   2HB   ARG  12          1HB       ARG  12  -1.592 -21.661  -6.648
  101   1HG   ARG  12          2HG       ARG  12  -0.596 -19.927  -5.210
  102   2HG   ARG  12          1HG       ARG  12  -0.235 -21.167  -4.007
  103   1HD   ARG  12          2HD       ARG  12   1.727 -20.728  -5.358
  104   2HD   ARG  12          1HD       ARG  12   1.128 -22.358  -5.667
  105    HE   ARG  12           HE       ARG  12  -0.054 -21.047  -7.634
  106   1HH1  ARG  12          1HH1      ARG  12   3.248 -20.848  -6.494
  107   2HH1  ARG  12          2HH1      ARG  12   3.880 -20.369  -8.037
  108   1HH2  ARG  12          1HH2      ARG  12   0.776 -20.438  -9.663
  109   2HH2  ARG  12          2HH2      ARG  12   2.480 -20.156  -9.840
  110    H    ASP  13           H        ASP  13  -2.305 -23.420  -3.474
  111    HA   ASP  13           HA       ASP  13  -3.063 -22.418  -0.939
  112   1HB   ASP  13          2HB       ASP  13  -1.174 -24.670  -1.668
  113   2HB   ASP  13          1HB       ASP  13  -1.761 -24.349  -0.041
  114    H    ALA  14           H        ALA  14  -2.048 -21.038   0.355
  115    HA   ALA  14           HA       ALA  14   0.861 -20.781   0.196
  116   1HB   ALA  14          1HB       ALA  14  -0.086 -19.098  -1.339
  117   2HB   ALA  14          2HB       ALA  14   0.765 -18.373   0.024
  118   3HB   ALA  14          3HB       ALA  14  -0.997 -18.411   0.006
  119    H    GLU  15           H        GLU  15   1.455 -18.950   1.957
  120    HA   GLU  15           HA       GLU  15   0.269 -19.971   4.425
  121   1HB   GLU  15          2HB       GLU  15   2.222 -19.077   5.544
  122   2HB   GLU  15          1HB       GLU  15   2.746 -19.996   4.141
  123   1HG   GLU  15          2HG       GLU  15   3.033 -17.917   2.888
  124   2HG   GLU  15          1HG       GLU  15   2.525 -16.999   4.303
  125    H    GLY  16           H        GLY  16  -0.796 -18.666   5.905
  126   1HA   GLY  16          2HA       GLY  16  -1.737 -16.093   5.226
  127   2HA   GLY  16          1HA       GLY  16  -1.691 -16.766   6.856
  128    H    GLN  17           H        GLN  17  -0.455 -14.383   4.861
  129    HA   GLN  17           HA       GLN  17   2.243 -14.514   4.996
  130   1HB   GLN  17          2HB       GLN  17   2.328 -12.136   4.544
  131   2HB   GLN  17          1HB       GLN  17   1.047 -12.900   3.622
  132   1HG   GLN  17          2HG       GLN  17  -0.626 -11.940   4.952
  133   2HG   GLN  17          1HG       GLN  17   0.524 -11.484   6.210
  134   1HE2  GLN  17          1HE2      GLN  17   1.920  -9.745   5.849
  135   2HE2  GLN  17          2HE2      GLN  17   1.580  -8.547   4.652
  136    H    ASP  18           H        ASP  18   0.296 -12.672   7.396
  137    HA   ASP  18           HA       ASP  18   2.324 -13.031   9.386
  138   1HB   ASP  18          2HB       ASP  18   2.933 -11.066   7.612
  139   2HB   ASP  18          1HB       ASP  18   1.992 -10.152   8.789
  140    H    PHE  19           H        PHE  19   1.730 -10.620  10.806
  141    HA   PHE  19           HA       PHE  19  -1.044 -11.241  11.589
  142   1HB   PHE  19          2HB       PHE  19   1.172 -10.146  13.326
  143   2HB   PHE  19          1HB       PHE  19  -0.433 -10.644  13.859
  144    HD1  PHE  19           1HD      PHE  19  -1.061 -13.125  13.356
  145    HD2  PHE  19           2HD      PHE  19   2.919 -11.631  13.466
  146    HE1  PHE  19           1HE      PHE  19  -0.220 -15.406  13.731
  147    HE2  PHE  19           2HE      PHE  19   3.769 -13.908  13.843
  148    HZ   PHE  19           HZ       PHE  19   2.200 -15.797  13.970
  149    H    GLN  20           H        GLN  20  -1.912  -9.275  12.992
  150    HA   GLN  20           HA       GLN  20  -1.830  -6.983  11.219
  151   1HB   GLN  20          2HB       GLN  20  -3.530  -7.646  13.621
  152   2HB   GLN  20          1HB       GLN  20  -3.614  -6.099  12.787
  153   1HG   GLN  20          2HG       GLN  20  -4.192  -7.304  10.707
  154   2HG   GLN  20          1HG       GLN  20  -4.219  -8.808  11.627
  155   1HE2  GLN  20          1HE2      GLN  20  -5.780  -5.749  11.078
  156   2HE2  GLN  20          2HE2      GLN  20  -7.277  -6.158  11.838
  157    H    LEU  21           H        LEU  21  -0.485  -5.373  11.509
  158    HA   LEU  21           HA       LEU  21   0.861  -5.041  14.066
  159   1HB   LEU  21          2HB       LEU  21   1.260  -3.517  11.487
  160   2HB   LEU  21          1HB       LEU  21   2.298  -3.460  12.896
  161    HG   LEU  21           HG       LEU  21   2.548  -6.045  12.430
  162   1HD1  LEU  21          1HD1      LEU  21   1.799  -4.949   9.724
  163   2HD1  LEU  21          2HD1      LEU  21   0.936  -6.187  10.636
  164   3HD1  LEU  21          3HD1      LEU  21   2.552  -6.518  10.012
  165   1HD2  LEU  21          1HD2      LEU  21   3.928  -3.900  10.820
  166   2HD2  LEU  21          2HD2      LEU  21   4.519  -5.546  11.045
  167   3HD2  LEU  21          3HD2      LEU  21   4.383  -4.461  12.429
  168    H    TYR  22           H        TYR  22  -0.878  -2.992  11.747
  169    HA   TYR  22           HA       TYR  22  -2.269  -1.728  13.918
  170   1HB   TYR  22          2HB       TYR  22  -1.732   0.591  13.094
  171   2HB   TYR  22          1HB       TYR  22  -0.454  -0.249  13.951
  172    HD1  TYR  22           1HD      TYR  22  -1.456   1.322  10.846
  173    HD2  TYR  22           2HD      TYR  22   1.502  -1.126  12.675
  174    HE1  TYR  22           1HE      TYR  22   0.099   1.836   9.015
  175    HE2  TYR  22           2HE      TYR  22   3.060  -0.623  10.843
  176    HH   TYR  22           HH       TYR  22   3.042   0.142   8.555
  177    HA   PRO  23           HA       PRO  23  -4.400  -0.817   9.569
  178   1HB   PRO  23          2HB       PRO  23  -3.550  -3.410   8.368
  179   2HB   PRO  23          1HB       PRO  23  -3.884  -1.865   7.576
  180   1HG   PRO  23          2HG       PRO  23  -1.388  -2.657   7.884
  181   2HG   PRO  23          1HG       PRO  23  -1.818  -0.964   8.209
  182   1HD   PRO  23          2HD       PRO  23  -1.367  -3.209  10.148
  183   2HD   PRO  23          1HD       PRO  23  -0.799  -1.528  10.232
  184    H    GLY  24           H        GLY  24  -6.525  -1.443   9.598
  185   1HA   GLY  24          2HA       GLY  24  -7.133  -3.505  11.585
  186   2HA   GLY  24          1HA       GLY  24  -8.204  -2.216  11.064
  187    H    GLU  25           H        GLU  25  -9.819  -2.758   9.758
  188    HA   GLU  25           HA       GLU  25 -10.227  -5.467   9.098
  189   1HB   GLU  25          2HB       GLU  25 -12.302  -4.791   8.076
  190   2HB   GLU  25          1HB       GLU  25 -12.076  -3.885   9.560
  191   1HG   GLU  25          2HG       GLU  25 -11.528  -2.814   6.801
  192   2HG   GLU  25          1HG       GLU  25 -13.015  -2.557   7.705
  193    H    LEU  26           H        LEU  26  -9.299  -2.676   7.112
  194    HA   LEU  26           HA       LEU  26  -9.166  -4.115   4.675
  195   1HB   LEU  26          2HB       LEU  26  -9.264  -1.677   4.724
  196   2HB   LEU  26          1HB       LEU  26  -7.720  -1.610   5.550
  197    HG   LEU  26           HG       LEU  26  -6.620  -2.563   3.565
  198   1HD1  LEU  26          1HD1      LEU  26  -7.853  -2.705   1.452
  199   2HD1  LEU  26          2HD1      LEU  26  -9.351  -2.334   2.307
  200   3HD1  LEU  26          3HD1      LEU  26  -8.482  -3.828   2.657
  201   1HD2  LEU  26          1HD2      LEU  26  -6.809  -0.586   2.147
  202   2HD2  LEU  26          2HD2      LEU  26  -6.738  -0.141   3.852
  203   3HD2  LEU  26          3HD2      LEU  26  -8.278  -0.107   2.994
  204    H    GLY  27           H        GLY  27  -6.918  -3.532   7.292
  205   1HA   GLY  27          2HA       GLY  27  -4.601  -4.617   6.131
  206   2HA   GLY  27          1HA       GLY  27  -4.942  -4.539   7.852
  207    H    LYS  28           H        LYS  28  -6.993  -6.123   8.276
  208    HA   LYS  28           HA       LYS  28  -5.993  -8.708   8.269
  209   1HB   LYS  28          2HB       LYS  28  -7.768  -8.004   9.771
  210   2HB   LYS  28          1HB       LYS  28  -8.858  -7.749   8.415
  211   1HG   LYS  28          2HG       LYS  28  -8.600 -10.199   7.908
  212   2HG   LYS  28          1HG       LYS  28  -7.794 -10.350   9.468
  213   1HD   LYS  28          2HD       LYS  28  -9.770  -9.509  10.596
  214   2HD   LYS  28          1HD       LYS  28 -10.575  -9.262   9.044
  215   1HE   LYS  28          2HE       LYS  28  -9.661 -11.909  10.161
  216   2HE   LYS  28          1HE       LYS  28 -11.324 -11.325  10.121
  217   1HZ   LYS  28          1HZ       LYS  28 -10.950 -12.825   8.301
  218   2HZ   LYS  28          2HZ       LYS  28  -9.610 -11.942   7.769
  219   3HZ   LYS  28          3HZ       LYS  28 -11.160 -11.267   7.678
  220    H    ARG  29           H        ARG  29  -8.301  -7.169   6.079
  221    HA   ARG  29           HA       ARG  29  -9.006  -9.305   4.490
  222   1HB   ARG  29          2HB       ARG  29 -10.077  -7.135   4.304
  223   2HB   ARG  29          1HB       ARG  29  -8.591  -6.419   3.698
  224   1HG   ARG  29          2HG       ARG  29  -8.738  -7.790   1.689
  225   2HG   ARG  29          1HG       ARG  29 -10.217  -8.533   2.299
  226   1HD   ARG  29          2HD       ARG  29 -11.340  -6.379   2.266
  227   2HD   ARG  29          1HD       ARG  29  -9.853  -5.590   1.746
  228    HE   ARG  29           HE       ARG  29 -10.092  -7.180  -0.263
  229   1HH1  ARG  29          1HH1      ARG  29 -12.759  -5.666   1.430
  230   2HH1  ARG  29          2HH1      ARG  29 -13.792  -5.645   0.039
  231   1HH2  ARG  29          1HH2      ARG  29 -11.462  -7.146  -2.090
  232   2HH2  ARG  29          2HH2      ARG  29 -13.060  -6.493  -1.949
  233    H    ILE  30           H        ILE  30  -6.120  -7.278   4.285
  234    HA   ILE  30           HA       ILE  30  -5.183  -8.575   1.897
  235    HB   ILE  30           HB       ILE  30  -3.719  -6.768   3.826
  236   1HG1  ILE  30          2HG1      ILE  30  -4.988  -6.153   1.144
  237   2HG1  ILE  30          1HG1      ILE  30  -5.692  -5.741   2.702
  238   1HG2  ILE  30          1HG2      ILE  30  -2.117  -6.454   1.982
  239   2HG2  ILE  30          2HG2      ILE  30  -2.977  -7.676   1.045
  240   3HG2  ILE  30          3HG2      ILE  30  -2.163  -8.125   2.545
  241   1HD1  ILE  30          1HD1      ILE  30  -3.107  -4.693   1.579
  242   2HD1  ILE  30          2HD1      ILE  30  -3.757  -4.305   3.172
  243   3HD1  ILE  30          3HD1      ILE  30  -4.629  -3.815   1.718
  244    H    TYR  31           H        TYR  31  -4.393  -8.763   5.358
  245    HA   TYR  31           HA       TYR  31  -2.047 -10.263   5.087
  246   1HB   TYR  31          2HB       TYR  31  -3.946 -10.094   7.427
  247   2HB   TYR  31          1HB       TYR  31  -2.357 -10.845   7.493
  248    HD1  TYR  31           1HD      TYR  31  -3.709  -8.315   8.922
  249    HD2  TYR  31           2HD      TYR  31  -0.819  -8.859   5.854
  250    HE1  TYR  31           1HE      TYR  31  -2.726  -6.128   9.469
  251    HE2  TYR  31           2HE      TYR  31   0.172  -6.676   6.390
  252    HH   TYR  31           HH       TYR  31  -0.455  -4.581   7.459
  253    H    ASN  32           H        ASN  32  -5.394 -11.367   5.144
  254    HA   ASN  32           HA       ASN  32  -4.385 -14.114   5.337
  255   1HB   ASN  32          2HB       ASN  32  -6.769 -14.759   5.780
  256   2HB   ASN  32          1HB       ASN  32  -6.029 -13.740   7.003
  257   1HD2  ASN  32          1HD2      ASN  32  -7.366 -12.695   3.893
  258   2HD2  ASN  32          2HD2      ASN  32  -8.637 -11.748   4.578
  259    H    GLU  33           H        GLU  33  -5.125 -12.016   2.943
  260    HA   GLU  33           HA       GLU  33  -6.036 -14.204   1.187
  261   1HB   GLU  33          2HB       GLU  33  -6.241 -11.225   0.702
  262   2HB   GLU  33          1HB       GLU  33  -6.793 -12.483  -0.391
  263   1HG   GLU  33          2HG       GLU  33  -7.885 -11.891   2.347
  264   2HG   GLU  33          1HG       GLU  33  -8.650 -11.513   0.808
  265    H    ILE  34           H        ILE  34  -3.435 -12.184   1.988
  266    HA   ILE  34           HA       ILE  34  -2.102 -12.830  -0.545
  267    HB   ILE  34           HB       ILE  34  -2.036 -10.407   1.152
  268   1HG1  ILE  34          2HG1      ILE  34  -3.091 -10.536  -1.093
  269   2HG1  ILE  34          1HG1      ILE  34  -1.829  -9.311  -0.993
  270   1HG2  ILE  34          1HG2      ILE  34   0.443 -11.333  -0.298
  271   2HG2  ILE  34          2HG2      ILE  34   0.261 -11.189   1.450
  272   3HG2  ILE  34          3HG2      ILE  34   0.205  -9.747   0.436
  273   1HD1  ILE  34          1HD1      ILE  34  -1.581 -12.040  -2.240
  274   2HD1  ILE  34          2HD1      ILE  34  -0.267 -10.876  -2.076
  275   3HD1  ILE  34          3HD1      ILE  34  -1.665 -10.494  -3.084
  276    H    SER  35           H        SER  35  -0.284 -13.953  -0.549
  277    HA   SER  35           HA       SER  35   0.627 -15.199   1.888
  278   1HB   SER  35          2HB       SER  35   0.461 -16.480  -0.206
  279   2HB   SER  35          1HB       SER  35   1.639 -15.408  -0.957
  280    HG   SER  35           HG       SER  35   2.538 -17.393  -0.146
  281    H    LYS  36           H        LYS  36   2.725 -15.049   2.701
  282    HA   LYS  36           HA       LYS  36   3.863 -12.512   2.795
  283   1HB   LYS  36          2HB       LYS  36   4.229 -14.202   4.542
  284   2HB   LYS  36          1HB       LYS  36   5.163 -15.177   3.417
  285   1HG   LYS  36          2HG       LYS  36   6.648 -13.992   4.887
  286   2HG   LYS  36          1HG       LYS  36   6.808 -13.361   3.249
  287   1HD   LYS  36          2HD       LYS  36   6.787 -11.475   4.679
  288   2HD   LYS  36          1HD       LYS  36   5.200 -11.536   3.913
  289   1HE   LYS  36          2HE       LYS  36   4.969 -11.015   6.262
  290   2HE   LYS  36          1HE       LYS  36   4.285 -12.603   5.924
  291   1HZ   LYS  36          1HZ       LYS  36   7.023 -12.215   6.994
  292   2HZ   LYS  36          2HZ       LYS  36   6.146 -13.661   6.906
  293   3HZ   LYS  36          3HZ       LYS  36   5.666 -12.440   7.982
  294    H    ASP  37           H        ASP  37   4.379 -15.169   0.600
  295    HA   ASP  37           HA       ASP  37   6.781 -14.342  -0.600
  296   1HB   ASP  37          2HB       ASP  37   5.828 -16.539  -1.060
  297   2HB   ASP  37          1HB       ASP  37   4.416 -15.799  -1.807
  298    H    ALA  38           H        ALA  38   3.416 -13.692  -1.559
  299    HA   ALA  38           HA       ALA  38   4.110 -11.917  -3.663
  300   1HB   ALA  38          1HB       ALA  38   1.504 -12.218  -2.174
  301   2HB   ALA  38          2HB       ALA  38   1.975 -13.084  -3.637
  302   3HB   ALA  38          3HB       ALA  38   1.726 -11.338  -3.686
  303    H    TRP  39           H        TRP  39   3.277 -11.499  -0.273
  304    HA   TRP  39           HA       TRP  39   3.119  -8.701  -0.188
  305   1HB   TRP  39          2HB       TRP  39   2.415 -10.212   1.647
  306   2HB   TRP  39          1HB       TRP  39   4.100 -10.607   1.954
  307    HD1  TRP  39           HD       TRP  39   5.294  -9.164   3.704
  308    HE1  TRP  39           1HE      TRP  39   4.761  -6.969   4.940
  309    HE3  TRP  39           3HE      TRP  39   1.078  -7.804   1.160
  310    HZ2  TRP  39           2HZ      TRP  39   2.817  -4.931   4.847
  311    HZ3  TRP  39           3HZ      TRP  39  -0.061  -5.714   1.796
  312    HH2  TRP  39           HH       TRP  39   0.790  -4.309   3.602
  313    H    ALA  40           H        ALA  40   5.871 -10.900   0.085
  314    HA   ALA  40           HA       ALA  40   7.803  -8.862   0.585
  315   1HB   ALA  40          1HB       ALA  40   8.120 -11.213   1.237
  316   2HB   ALA  40          2HB       ALA  40   9.445 -10.608   0.243
  317   3HB   ALA  40          3HB       ALA  40   8.216 -11.654  -0.470
  318    H    GLN  41           H        GLN  41   6.829 -10.690  -2.294
  319    HA   GLN  41           HA       GLN  41   8.666  -9.584  -4.086
  320   1HB   GLN  41          2HB       GLN  41   5.905 -10.718  -4.509
  321   2HB   GLN  41          1HB       GLN  41   6.928 -10.190  -5.840
  322   1HG   GLN  41          2HG       GLN  41   7.683 -12.292  -3.823
  323   2HG   GLN  41          1HG       GLN  41   7.025 -12.617  -5.427
  324   1HE2  GLN  41          1HE2      GLN  41   8.289 -12.248  -7.230
  325   2HE2  GLN  41          2HE2      GLN  41  10.002 -12.044  -7.134
  326    H    TRP  42           H        TRP  42   5.456  -8.437  -3.099
  327    HA   TRP  42           HA       TRP  42   5.326  -6.300  -4.918
  328   1HB   TRP  42          2HB       TRP  42   3.290  -6.823  -3.837
  329   2HB   TRP  42          1HB       TRP  42   4.018  -6.709  -2.235
  330    HD1  TRP  42           HD       TRP  42   3.294  -4.591  -1.013
  331    HE1  TRP  42           1HE      TRP  42   2.721  -2.169  -1.666
  332    HE3  TRP  42           3HE      TRP  42   3.925  -4.935  -6.080
  333    HZ2  TRP  42           2HZ      TRP  42   2.557  -0.606  -4.010
  334    HZ3  TRP  42           3HZ      TRP  42   3.540  -2.930  -7.450
  335    HH2  TRP  42           HH       TRP  42   2.871  -0.815  -6.437
  336    H    GLN  43           H        GLN  43   6.329  -6.275  -1.482
  337    HA   GLN  43           HA       GLN  43   6.973  -3.544  -1.461
  338   1HB   GLN  43          2HB       GLN  43   8.147  -5.714   0.276
  339   2HB   GLN  43          1HB       GLN  43   8.164  -3.990   0.615
  340   1HG   GLN  43          2HG       GLN  43   5.672  -4.046   0.648
  341   2HG   GLN  43          1HG       GLN  43   5.771  -5.804   0.517
  342   1HE2  GLN  43          1HE2      GLN  43   6.713  -6.979   2.214
  343   2HE2  GLN  43          2HE2      GLN  43   6.815  -6.327   3.813
  344    H    HIS  44           H        HIS  44   8.805  -6.355  -2.387
  345    HA   HIS  44           HA       HIS  44  11.370  -5.215  -2.501
  346   1HB   HIS  44          2HB       HIS  44  10.797  -7.665  -2.708
  347   2HB   HIS  44          1HB       HIS  44  10.257  -7.334  -4.354
  348    HD1  HIS  44           1HD      HIS  44  12.030  -7.235  -6.152
  349    HD2  HIS  44           2HD      HIS  44  13.623  -7.333  -2.315
  350    HE1  HIS  44           1HE      HIS  44  14.505  -7.531  -6.454
  351    HE2  HIS  44           2HE      HIS  44  15.412  -7.799  -4.119
  352    H    LYS  45           H        LYS  45   8.851  -5.551  -4.982
  353    HA   LYS  45           HA       LYS  45  10.284  -4.095  -6.971
  354   1HB   LYS  45          2HB       LYS  45   8.549  -5.733  -7.542
  355   2HB   LYS  45          1HB       LYS  45   7.340  -4.746  -6.738
  356   1HG   LYS  45          2HG       LYS  45   7.229  -4.497  -9.157
  357   2HG   LYS  45          1HG       LYS  45   7.656  -2.977  -8.373
  358   1HD   LYS  45          2HD       LYS  45   9.024  -3.263 -10.337
  359   2HD   LYS  45          1HD       LYS  45  10.039  -3.431  -8.905
  360   1HE   LYS  45          2HE       LYS  45  10.627  -5.135 -10.499
  361   2HE   LYS  45          1HE       LYS  45   9.856  -5.884  -9.106
  362   1HZ   LYS  45          1HZ       LYS  45   8.574  -5.322 -11.724
  363   2HZ   LYS  45          2HZ       LYS  45   7.783  -5.969 -10.380
  364   3HZ   LYS  45          3HZ       LYS  45   9.020  -6.840 -11.129
  365    H    GLN  46           H        GLN  46   7.855  -3.297  -4.576
  366    HA   GLN  46           HA       GLN  46   7.162  -0.718  -5.314
  367   1HB   GLN  46          2HB       GLN  46   6.123  -2.068  -3.487
  368   2HB   GLN  46          1HB       GLN  46   7.546  -1.761  -2.500
  369   1HG   GLN  46          2HG       GLN  46   7.031   0.705  -2.799
  370   2HG   GLN  46          1HG       GLN  46   5.466   0.190  -3.428
  371   1HE2  GLN  46          1HE2      GLN  46   7.484   0.460  -0.644
  372   2HE2  GLN  46          2HE2      GLN  46   6.282   0.077   0.535
  373    H    THR  47           H        THR  47   9.702  -1.738  -3.042
  374    HA   THR  47           HA       THR  47  10.800   0.789  -2.575
  375    HB   THR  47           HB       THR  47  12.309  -1.832  -2.586
  376    HG1  THR  47           1HG      THR  47  10.547  -2.099  -1.233
  377   1HG2  THR  47          1HG2      THR  47  13.714   0.179  -2.410
  378   2HG2  THR  47          2HG2      THR  47  13.718  -0.748  -0.911
  379   3HG2  THR  47          3HG2      THR  47  12.754   0.723  -1.036
  380    H    MET  48           H        MET  48  11.452  -1.610  -5.075
  381    HA   MET  48           HA       MET  48  13.712  -0.278  -6.183
  382   1HB   MET  48          2HB       MET  48  13.117  -2.731  -6.421
  383   2HB   MET  48          1HB       MET  48  11.914  -2.242  -7.606
  384   1HG   MET  48          2HG       MET  48  13.883  -2.959  -8.751
  385   2HG   MET  48          1HG       MET  48  13.715  -1.216  -8.952
  386   1HE   MET  48          1HE       MET  48  17.591  -1.647  -8.871
  387   2HE   MET  48          2HE       MET  48  16.207  -1.007  -9.756
  388   3HE   MET  48          3HE       MET  48  16.421  -2.750  -9.597
  389    H    LEU  49           H        LEU  49  10.350   0.271  -6.418
  390    HA   LEU  49           HA       LEU  49  10.570   1.839  -8.854
  391   1HB   LEU  49          2HB       LEU  49   8.303   1.691  -6.856
  392   2HB   LEU  49          1HB       LEU  49   8.236   2.444  -8.437
  393    HG   LEU  49           HG       LEU  49   8.581  -0.507  -7.907
  394   1HD1  LEU  49          1HD1      LEU  49   6.339   0.341  -7.388
  395   2HD1  LEU  49          2HD1      LEU  49   6.336  -0.729  -8.790
  396   3HD1  LEU  49          3HD1      LEU  49   6.228   1.018  -9.011
  397   1HD2  LEU  49          1HD2      LEU  49   8.315  -0.767 -10.315
  398   2HD2  LEU  49          2HD2      LEU  49   9.741   0.198  -9.935
  399   3HD2  LEU  49          3HD2      LEU  49   8.271   0.985 -10.509
  400    H    ILE  50           H        ILE  50  10.222   2.315  -5.397
  401    HA   ILE  50           HA       ILE  50   9.999   5.116  -5.381
  402    HB   ILE  50           HB       ILE  50  11.084   3.304  -3.223
  403   1HG1  ILE  50          2HG1      ILE  50   8.269   4.342  -3.552
  404   2HG1  ILE  50          1HG1      ILE  50   8.781   2.749  -4.099
  405   1HG2  ILE  50          1HG2      ILE  50   9.979   6.104  -3.090
  406   2HG2  ILE  50          2HG2      ILE  50  11.645   5.609  -2.786
  407   3HG2  ILE  50          3HG2      ILE  50  10.358   5.101  -1.690
  408   1HD1  ILE  50          1HD1      ILE  50   8.860   3.749  -1.261
  409   2HD1  ILE  50          2HD1      ILE  50   9.357   2.149  -1.810
  410   3HD1  ILE  50          3HD1      ILE  50   7.668   2.641  -1.941
  411    H    ASN  51           H        ASN  51  12.821   3.001  -4.871
  412    HA   ASN  51           HA       ASN  51  14.536   5.208  -4.262
  413   1HB   ASN  51          2HB       ASN  51  16.270   3.575  -3.979
  414   2HB   ASN  51          1HB       ASN  51  14.788   2.905  -3.308
  415   1HD2  ASN  51          1HD2      ASN  51  17.013   1.387  -4.015
  416   2HD2  ASN  51          2HD2      ASN  51  16.566   0.341  -5.321
  417    H    GLU  52           H        GLU  52  13.583   3.684  -7.166
  418    HA   GLU  52           HA       GLU  52  15.902   4.640  -8.639
  419   1HB   GLU  52          2HB       GLU  52  13.506   2.992  -9.416
  420   2HB   GLU  52          1HB       GLU  52  14.684   3.567 -10.589
  421   1HG   GLU  52          2HG       GLU  52  15.435   1.922  -8.194
  422   2HG   GLU  52          1HG       GLU  52  15.000   1.216  -9.748
  423    H    LYS  53           H        LYS  53  12.411   5.185  -8.455
  424    HA   LYS  53           HA       LYS  53  12.469   7.251 -10.458
  425   1HB   LYS  53          2HB       LYS  53  10.313   6.318  -8.564
  426   2HB   LYS  53          1HB       LYS  53  10.081   7.594  -9.754
  427   1HG   LYS  53          2HG       LYS  53  10.490   6.072 -11.555
  428   2HG   LYS  53          1HG       LYS  53  10.945   4.794 -10.427
  429   1HD   LYS  53          2HD       LYS  53   8.710   4.669  -9.575
  430   2HD   LYS  53          1HD       LYS  53   8.221   6.077 -10.521
  431   1HE   LYS  53          2HE       LYS  53   7.486   3.966 -11.530
  432   2HE   LYS  53          1HE       LYS  53   8.579   4.861 -12.580
  433   1HZ   LYS  53          1HZ       LYS  53  10.383   3.399 -11.785
  434   2HZ   LYS  53          2HZ       LYS  53   9.169   2.561 -12.606
  435   3HZ   LYS  53          3HZ       LYS  53   9.245   2.495 -10.922
  436    H    LYS  54           H        LYS  54  12.916   7.043  -7.071
  437    HA   LYS  54           HA       LYS  54  13.534   8.558  -5.501
  438   1HB   LYS  54          2HB       LYS  54  14.029  10.314  -7.915
  439   2HB   LYS  54          1HB       LYS  54  14.610  10.637  -6.286
  440   1HG   LYS  54          2HG       LYS  54  16.008   8.670  -6.342
  441   2HG   LYS  54          1HG       LYS  54  15.337   8.205  -7.906
  442   1HD   LYS  54          2HD       LYS  54  17.509   9.221  -8.211
  443   2HD   LYS  54          1HD       LYS  54  16.259  10.263  -8.893
  444   1HE   LYS  54          2HE       LYS  54  16.311  11.599  -6.804
  445   2HE   LYS  54          1HE       LYS  54  17.650  10.600  -6.236
  446   1HZ   LYS  54          1HZ       LYS  54  17.634  12.377  -8.612
  447   2HZ   LYS  54          2HZ       LYS  54  18.896  11.319  -8.228
  448   3HZ   LYS  54          3HZ       LYS  54  18.517  12.595  -7.183
  449    H    LEU  55           H        LEU  55  10.818   8.336  -5.969
  450    HA   LEU  55           HA       LEU  55   9.809  11.079  -5.983
  451   1HB   LEU  55          2HB       LEU  55   7.547   9.908  -6.099
  452   2HB   LEU  55          1HB       LEU  55   8.572   9.836  -7.514
  453    HG   LEU  55           HG       LEU  55   9.286   7.511  -6.629
  454   1HD1  LEU  55          1HD1      LEU  55   7.614   6.364  -5.287
  455   2HD1  LEU  55          2HD1      LEU  55   6.705   7.864  -5.117
  456   3HD1  LEU  55          3HD1      LEU  55   8.308   7.721  -4.398
  457   1HD2  LEU  55          1HD2      LEU  55   7.385   6.462  -7.732
  458   2HD2  LEU  55          2HD2      LEU  55   7.931   7.879  -8.628
  459   3HD2  LEU  55          3HD2      LEU  55   6.480   7.972  -7.628
  460    H    ASN  56           H        ASN  56   8.667  11.956  -4.316
  461    HA   ASN  56           HA       ASN  56   8.895  10.559  -1.759
  462   1HB   ASN  56          2HB       ASN  56   8.183  12.802  -0.801
  463   2HB   ASN  56          1HB       ASN  56   9.744  12.767  -1.608
  464   1HD2  ASN  56          1HD2      ASN  56   9.568  15.033  -1.788
  465   2HD2  ASN  56          2HD2      ASN  56   8.615  15.745  -3.042
  466    H    MET  57           H        MET  57   7.151   9.981  -0.528
  467    HA   MET  57           HA       MET  57   4.589  10.140  -1.955
  468   1HB   MET  57          2HB       MET  57   3.976   8.058  -0.741
  469   2HB   MET  57          1HB       MET  57   5.320   7.880  -1.862
  470   1HG   MET  57          2HG       MET  57   6.841   8.181   0.140
  471   2HG   MET  57          1HG       MET  57   5.400   8.004   1.139
  472   1HE   MET  57          1HE       MET  57   6.055   6.142  -2.279
  473   2HE   MET  57          2HE       MET  57   6.983   4.756  -1.715
  474   3HE   MET  57          3HE       MET  57   7.652   6.381  -1.574
  475    H    MET  58           H        MET  58   5.988  11.774   0.334
  476    HA   MET  58           HA       MET  58   3.872  11.854   2.275
  477   1HB   MET  58          2HB       MET  58   6.078  13.806   1.587
  478   2HB   MET  58          1HB       MET  58   4.893  14.105   2.853
  479   1HG   MET  58          2HG       MET  58   5.625  12.064   4.000
  480   2HG   MET  58          1HG       MET  58   6.831  11.804   2.744
  481   1HE   MET  58          1HE       MET  58   7.847  14.779   2.178
  482   2HE   MET  58          2HE       MET  58   8.904  13.377   2.333
  483   3HE   MET  58          3HE       MET  58   9.238  14.836   3.262
  484    H    ASN  59           H        ASN  59   4.458  13.050  -0.860
  485    HA   ASN  59           HA       ASN  59   2.378  14.984  -1.007
  486   1HB   ASN  59          2HB       ASN  59   3.739  13.309  -3.129
  487   2HB   ASN  59          1HB       ASN  59   2.555  14.554  -3.489
  488   1HD2  ASN  59          1HD2      ASN  59   4.011  15.729  -4.687
  489   2HD2  ASN  59          2HD2      ASN  59   5.308  16.617  -3.967
  490    H    ALA  60           H        ALA  60   0.235  14.709  -1.490
  491    HA   ALA  60           HA       ALA  60  -1.004  12.342  -0.685
  492   1HB   ALA  60          1HB       ALA  60  -3.080  13.352  -1.460
  493   2HB   ALA  60          2HB       ALA  60  -2.165  14.563  -2.359
  494   3HB   ALA  60          3HB       ALA  60  -2.085  14.527  -0.597
  495    H    GLU  61           H        GLU  61  -0.299  13.559  -3.923
  496    HA   GLU  61           HA       GLU  61  -1.773  11.646  -5.357
  497   1HB   GLU  61          2HB       GLU  61   0.688  13.189  -6.177
  498   2HB   GLU  61          1HB       GLU  61  -0.328  12.268  -7.277
  499   1HG   GLU  61          2HG       GLU  61  -1.137  14.680  -5.674
  500   2HG   GLU  61          1HG       GLU  61  -0.882  14.599  -7.417
  501    H    HIS  62           H        HIS  62   1.551  11.609  -4.180
  502    HA   HIS  62           HA       HIS  62   2.158   9.157  -5.559
  503   1HB   HIS  62          2HB       HIS  62   3.683  10.829  -3.572
  504   2HB   HIS  62          1HB       HIS  62   4.285   9.279  -4.147
  505    HD1  HIS  62           1HD      HIS  62   5.584  12.162  -4.685
  506    HD2  HIS  62           2HD      HIS  62   3.333   9.883  -7.332
  507    HE1  HIS  62           1HE      HIS  62   6.240  12.951  -6.983
  508    HE2  HIS  62           2HE      HIS  62   4.841  11.586  -8.576
  509    H    ARG  63           H        ARG  63   0.971  10.076  -2.428
  510    HA   ARG  63           HA       ARG  63   1.554   7.648  -1.078
  511   1HB   ARG  63          2HB       ARG  63   0.397  10.094  -0.384
  512   2HB   ARG  63          1HB       ARG  63  -0.897   8.924  -0.172
  513   1HG   ARG  63          2HG       ARG  63   1.829   8.811   1.099
  514   2HG   ARG  63          1HG       ARG  63   0.319   9.242   1.896
  515   1HD   ARG  63          2HD       ARG  63   0.849   6.573   0.605
  516   2HD   ARG  63          1HD       ARG  63   1.096   6.908   2.314
  517    HE   ARG  63           HE       ARG  63  -1.537   7.092   0.987
  518   1HH1  ARG  63          1HH1      ARG  63   0.472   6.259   3.742
  519   2HH1  ARG  63          2HH1      ARG  63  -0.848   5.628   4.673
  520   1HH2  ARG  63          1HH2      ARG  63  -3.273   6.252   2.224
  521   2HH2  ARG  63          2HH2      ARG  63  -2.971   5.629   3.815
  522    H    LYS  64           H        LYS  64  -1.397   8.867  -2.646
  523    HA   LYS  64           HA       LYS  64  -2.857   6.468  -2.248
  524   1HB   LYS  64          2HB       LYS  64  -4.534   7.421  -3.691
  525   2HB   LYS  64          1HB       LYS  64  -3.915   8.688  -2.644
  526   1HG   LYS  64          2HG       LYS  64  -2.534   9.532  -4.465
  527   2HG   LYS  64          1HG       LYS  64  -3.121   8.241  -5.515
  528   1HD   LYS  64          2HD       LYS  64  -5.428   9.112  -5.195
  529   2HD   LYS  64          1HD       LYS  64  -4.744  10.467  -4.293
  530   1HE   LYS  64          2HE       LYS  64  -3.426  11.098  -6.264
  531   2HE   LYS  64          1HE       LYS  64  -4.128   9.755  -7.159
  532   1HZ   LYS  64          1HZ       LYS  64  -6.306  10.773  -6.902
  533   2HZ   LYS  64          2HZ       LYS  64  -5.234  11.832  -7.670
  534   3HZ   LYS  64          3HZ       LYS  64  -5.626  12.062  -6.046
  535    H    LEU  65           H        LEU  65  -0.651   7.568  -4.702
  536    HA   LEU  65           HA       LEU  65  -1.290   5.798  -6.772
  537   1HB   LEU  65          2HB       LEU  65   0.401   7.779  -6.655
  538   2HB   LEU  65          1HB       LEU  65   1.542   6.562  -6.125
  539    HG   LEU  65           HG       LEU  65   1.708   7.070  -8.541
  540   1HD1  LEU  65          1HD1      LEU  65   0.776   4.261  -7.983
  541   2HD1  LEU  65          2HD1      LEU  65   2.407   4.876  -7.710
  542   3HD1  LEU  65          3HD1      LEU  65   1.760   4.786  -9.348
  543   1HD2  LEU  65          1HD2      LEU  65  -0.657   7.552  -8.950
  544   2HD2  LEU  65          2HD2      LEU  65  -1.039   5.846  -8.716
  545   3HD2  LEU  65          3HD2      LEU  65  -0.028   6.345 -10.071
  546    H    LEU  66           H        LEU  66   1.167   5.447  -4.205
  547    HA   LEU  66           HA       LEU  66   1.916   2.820  -4.707
  548   1HB   LEU  66          2HB       LEU  66   3.015   4.440  -3.145
  549   2HB   LEU  66          1HB       LEU  66   1.709   4.168  -2.011
  550    HG   LEU  66           HG       LEU  66   3.488   1.920  -2.954
  551   1HD1  LEU  66          1HD1      LEU  66   4.777   2.261  -0.901
  552   2HD1  LEU  66          2HD1      LEU  66   3.850   3.728  -0.573
  553   3HD1  LEU  66          3HD1      LEU  66   4.901   3.645  -1.987
  554   1HD2  LEU  66          1HD2      LEU  66   1.371   1.300  -1.850
  555   2HD2  LEU  66          2HD2      LEU  66   1.829   2.277  -0.455
  556   3HD2  LEU  66          3HD2      LEU  66   2.780   0.855  -0.889
  557    H    GLU  67           H        GLU  67  -0.526   4.053  -2.453
  558    HA   GLU  67           HA       GLU  67  -1.476   1.680  -1.418
  559   1HB   GLU  67          2HB       GLU  67  -2.145   3.863  -0.578
  560   2HB   GLU  67          1HB       GLU  67  -3.014   4.197  -2.067
  561   1HG   GLU  67          2HG       GLU  67  -4.594   2.426  -1.574
  562   2HG   GLU  67          1HG       GLU  67  -3.697   2.015  -0.112
  563    H    GLN  68           H        GLN  68  -2.763   3.395  -4.263
  564    HA   GLN  68           HA       GLN  68  -4.708   1.439  -4.889
  565   1HB   GLN  68          2HB       GLN  68  -3.440   3.644  -6.504
  566   2HB   GLN  68          1HB       GLN  68  -4.724   2.620  -7.134
  567   1HG   GLN  68          2HG       GLN  68  -6.296   3.457  -5.631
  568   2HG   GLN  68          1HG       GLN  68  -5.056   4.116  -4.564
  569   1HE2  GLN  68          1HE2      GLN  68  -4.880   4.495  -8.009
  570   2HE2  GLN  68          2HE2      GLN  68  -5.227   6.186  -8.047
  571    H    GLU  69           H        GLU  69  -1.418   1.985  -6.085
  572    HA   GLU  69           HA       GLU  69  -1.446   0.007  -8.094
  573   1HB   GLU  69          2HB       GLU  69   0.239   1.882  -7.744
  574   2HB   GLU  69          1HB       GLU  69   0.957   0.886  -6.488
  575   1HG   GLU  69          2HG       GLU  69   2.216   0.615  -8.482
  576   2HG   GLU  69          1HG       GLU  69   1.337  -0.881  -8.177
  577    H    MET  70           H        MET  70  -0.712  -0.054  -4.667
  578    HA   MET  70           HA       MET  70   0.309  -2.661  -4.465
  579   1HB   MET  70          2HB       MET  70   0.512  -1.024  -2.664
  580   2HB   MET  70          1HB       MET  70  -1.233  -1.024  -2.446
  581   1HG   MET  70          2HG       MET  70  -1.178  -3.310  -1.690
  582   2HG   MET  70          1HG       MET  70   0.550  -3.410  -2.022
  583   1HE   MET  70          1HE       MET  70  -2.241  -1.808   0.218
  584   2HE   MET  70          2HE       MET  70  -1.435  -0.377  -0.426
  585   3HE   MET  70          3HE       MET  70  -1.302  -0.769   1.289
  586    H    VAL  71           H        VAL  71  -3.001  -1.426  -4.084
  587    HA   VAL  71           HA       VAL  71  -4.232  -3.893  -3.548
  588    HB   VAL  71           HB       VAL  71  -5.443  -1.526  -4.998
  589   1HG1  VAL  71          1HG1      VAL  71  -6.747  -3.606  -5.189
  590   2HG1  VAL  71          2HG1      VAL  71  -7.582  -2.383  -4.232
  591   3HG1  VAL  71          3HG1      VAL  71  -6.779  -3.734  -3.431
  592   1HG2  VAL  71          1HG2      VAL  71  -5.338  -2.152  -2.046
  593   2HG2  VAL  71          2HG2      VAL  71  -6.278  -0.851  -2.780
  594   3HG2  VAL  71          3HG2      VAL  71  -4.516  -0.824  -2.868
  595    H    SER  72           H        SER  72  -3.372  -2.303  -6.562
  596    HA   SER  72           HA       SER  72  -4.802  -4.047  -8.280
  597   1HB   SER  72          2HB       SER  72  -2.377  -2.359  -8.924
  598   2HB   SER  72          1HB       SER  72  -3.563  -2.984 -10.071
  599    HG   SER  72           HG       SER  72  -3.846  -0.944  -8.147
  600    H    PHE  73           H        PHE  73  -1.694  -4.262  -6.729
  601    HA   PHE  73           HA       PHE  73  -0.828  -6.395  -8.515
  602   1HB   PHE  73          2HB       PHE  73   0.731  -4.583  -7.696
  603   2HB   PHE  73          1HB       PHE  73   0.615  -5.302  -6.096
  604    HD1  PHE  73           1HD      PHE  73   1.857  -5.770  -9.518
  605    HD2  PHE  73           2HD      PHE  73   1.784  -7.336  -5.563
  606    HE1  PHE  73           1HE      PHE  73   3.693  -7.306 -10.092
  607    HE2  PHE  73           2HE      PHE  73   3.615  -8.873  -6.132
  608    HZ   PHE  73           HZ       PHE  73   4.574  -8.861  -8.397
  609    H    LEU  74           H        LEU  74  -1.922  -5.941  -5.206
  610    HA   LEU  74           HA       LEU  74  -1.328  -8.696  -4.524
  611   1HB   LEU  74          2HB       LEU  74  -2.304  -6.312  -3.006
  612   2HB   LEU  74          1HB       LEU  74  -2.517  -7.913  -2.327
  613    HG   LEU  74           HG       LEU  74  -0.072  -8.266  -2.410
  614   1HD1  LEU  74          1HD1      LEU  74   0.423  -6.778  -4.298
  615   2HD1  LEU  74          2HD1      LEU  74   1.430  -6.438  -2.891
  616   3HD1  LEU  74          3HD1      LEU  74   0.067  -5.385  -3.276
  617   1HD2  LEU  74          1HD2      LEU  74  -0.960  -5.764  -0.991
  618   2HD2  LEU  74          2HD2      LEU  74   0.514  -6.666  -0.642
  619   3HD2  LEU  74          3HD2      LEU  74  -1.060  -7.415  -0.377
  620    H    PHE  75           H        PHE  75  -4.178  -6.681  -5.066
  621    HA   PHE  75           HA       PHE  75  -5.865  -9.054  -4.639
  622   1HB   PHE  75          2HB       PHE  75  -6.274  -7.048  -3.186
  623   2HB   PHE  75          1HB       PHE  75  -6.716  -6.150  -4.635
  624    HD1  PHE  75           1HD      PHE  75  -8.904  -6.152  -5.370
  625    HD2  PHE  75           2HD      PHE  75  -7.609  -9.196  -2.696
  626    HE1  PHE  75           1HE      PHE  75 -11.221  -6.945  -5.158
  627    HE2  PHE  75           2HE      PHE  75  -9.927  -9.994  -2.476
  628    HZ   PHE  75           HZ       PHE  75 -11.736  -8.867  -3.708
  629    H    GLU  76           H        GLU  76  -4.882  -6.644  -6.901
  630    HA   GLU  76           HA       GLU  76  -5.019  -6.518  -9.150
  631   1HB   GLU  76          2HB       GLU  76  -6.562  -9.106  -8.965
  632   2HB   GLU  76          1HB       GLU  76  -6.033  -8.358 -10.464
  633   1HG   GLU  76          2HG       GLU  76  -3.692  -8.584  -9.707
  634   2HG   GLU  76          1HG       GLU  76  -4.271  -9.424  -8.269
  635    H    GLY  77           H        GLY  77  -8.157  -7.645  -7.876
  636   1HA   GLY  77          2HA       GLY  77  -9.570  -6.050  -9.829
  637   2HA   GLY  77          1HA       GLY  77 -10.287  -7.069  -8.593
  638    H    LYS  78           H        LYS  78  -8.854  -3.928  -9.236
  639    HA   LYS  78           HA       LYS  78 -10.175  -2.924  -6.808
  640   1HB   LYS  78          2HB       LYS  78  -8.614  -0.912  -7.165
  641   2HB   LYS  78          1HB       LYS  78  -7.927  -2.396  -6.529
  642   1HG   LYS  78          2HG       LYS  78  -6.408  -1.537  -8.122
  643   2HG   LYS  78          1HG       LYS  78  -7.176  -2.944  -8.850
  644   1HD   LYS  78          2HD       LYS  78  -8.640  -1.511 -10.145
  645   2HD   LYS  78          1HD       LYS  78  -7.972  -0.080  -9.358
  646   1HE   LYS  78          2HE       LYS  78  -5.796  -0.534 -10.327
  647   2HE   LYS  78          1HE       LYS  78  -6.405  -2.023 -11.052
  648   1HZ   LYS  78          1HZ       LYS  78  -7.810  -0.785 -12.480
  649   2HZ   LYS  78          2HZ       LYS  78  -6.273  -0.088 -12.585
  650   3HZ   LYS  78          3HZ       LYS  78  -7.486   0.667 -11.676
  651    H    ASP  79           H        ASP  79 -10.646  -0.416  -7.131
  652    HA   ASP  79           HA       ASP  79 -12.487  -0.374  -9.405
  653   1HB   ASP  79          2HB       ASP  79 -12.432   1.417  -6.969
  654   2HB   ASP  79          1HB       ASP  79 -13.682   1.383  -8.203
  655    H    VAL  80           H        VAL  80 -10.011   1.585  -7.839
  656    HA   VAL  80           HA       VAL  80 -10.492   3.919  -9.341
  657    HB   VAL  80           HB       VAL  80  -7.919   3.164  -7.946
  658   1HG1  VAL  80          1HG1      VAL  80  -9.082   5.859  -8.652
  659   2HG1  VAL  80          2HG1      VAL  80  -7.731   5.075  -9.467
  660   3HG1  VAL  80          3HG1      VAL  80  -7.575   5.572  -7.782
  661   1HG2  VAL  80          1HG2      VAL  80  -9.806   2.966  -6.414
  662   2HG2  VAL  80          2HG2      VAL  80 -10.355   4.582  -6.858
  663   3HG2  VAL  80          3HG2      VAL  80  -8.823   4.373  -6.011
  664    H    HIS  81           H        HIS  81  -9.889   4.538 -11.264
  665    HA   HIS  81           HA       HIS  81  -8.295   2.848 -12.963
  666   1HB   HIS  81          2HB       HIS  81 -10.336   4.187 -13.675
  667   2HB   HIS  81          1HB       HIS  81  -9.342   5.629 -13.526
  668    HD1  HIS  81           1HD      HIS  81 -10.569   5.043 -16.197
  669    HD2  HIS  81           2HD      HIS  81  -6.824   3.625 -15.084
  670    HE1  HIS  81           1HE      HIS  81  -9.356   4.575 -18.349
  671    HE2  HIS  81           2HE      HIS  81  -7.065   3.793 -17.653
  672    H    ILE  82           H        ILE  82  -6.153   2.851 -12.549
  673    HA   ILE  82           HA       ILE  82  -4.874   5.143 -11.351
  674    HB   ILE  82           HB       ILE  82  -3.651   2.516 -12.215
  675   1HG1  ILE  82          2HG1      ILE  82  -4.696   3.393  -9.514
  676   2HG1  ILE  82          1HG1      ILE  82  -5.450   2.204 -10.568
  677   1HG2  ILE  82          1HG2      ILE  82  -1.897   3.112 -10.554
  678   2HG2  ILE  82          2HG2      ILE  82  -2.639   4.706 -10.410
  679   3HG2  ILE  82          3HG2      ILE  82  -1.952   4.189 -11.950
  680   1HD1  ILE  82          1HD1      ILE  82  -4.242   1.137  -8.762
  681   2HD1  ILE  82          2HD1      ILE  82  -2.757   1.950  -9.257
  682   3HD1  ILE  82          3HD1      ILE  82  -3.503   0.754 -10.316
  683    H    GLU  83           H        GLU  83  -3.812   6.679 -12.364
  684    HA   GLU  83           HA       GLU  83  -2.628   7.861 -13.888
  685   1HB   GLU  83          2HB       GLU  83  -1.937   5.096 -14.871
  686   2HB   GLU  83          1HB       GLU  83  -1.258   6.559 -15.572
  687   1HG   GLU  83          2HG       GLU  83  -1.015   5.797 -12.672
  688   2HG   GLU  83          1HG       GLU  83   0.203   5.460 -13.900
  689    H    GLY  84           H        GLY  84  -5.434   6.602 -14.474
  690   1HA   GLY  84          2HA       GLY  84  -5.542   7.681 -17.215
  691   2HA   GLY  84          1HA       GLY  84  -6.334   6.159 -16.826
  692    H    TYR  85           H        TYR  85  -6.682   9.517 -16.946
  693    HA   TYR  85           HA       TYR  85  -9.162   9.330 -15.372
  694   1HB   TYR  85          2HB       TYR  85  -7.333  11.740 -15.436
  695   2HB   TYR  85          1HB       TYR  85  -8.772  11.525 -14.441
  696    HD1  TYR  85           1HD      TYR  85  -5.247  11.194 -14.571
  697    HD2  TYR  85           2HD      TYR  85  -8.724   9.537 -12.769
  698    HE1  TYR  85           1HE      TYR  85  -3.851  10.215 -12.800
  699    HE2  TYR  85           2HE      TYR  85  -7.342   8.558 -10.988
  700    HH   TYR  85           HH       TYR  85  -4.086   9.416 -10.496
  701    H    THR  86           H        THR  86 -10.902   9.884 -16.480
  702    HA   THR  86           HA       THR  86 -10.545  11.172 -19.070
  703    HB   THR  86           HB       THR  86 -12.988  10.443 -19.355
  704    HG1  THR  86           1HG      THR  86 -13.712   8.880 -17.924
  705   1HG2  THR  86          1HG2      THR  86 -11.116   9.298 -20.440
  706   2HG2  THR  86          2HG2      THR  86 -12.340   8.144 -19.912
  707   3HG2  THR  86          3HG2      THR  86 -10.854   8.335 -18.985
  708    HA   PRO  87           HA       PRO  87 -12.401  14.951 -17.366
  709   1HB   PRO  87          2HB       PRO  87 -12.052  15.825 -20.162
  710   2HB   PRO  87          1HB       PRO  87 -11.441  16.562 -18.677
  711   1HG   PRO  87          2HG       PRO  87  -9.804  15.314 -20.397
  712   2HG   PRO  87          1HG       PRO  87  -9.544  15.249 -18.644
  713   1HD   PRO  87          2HD       PRO  87 -10.743  13.186 -20.458
  714   2HD   PRO  87          1HD       PRO  87  -9.607  12.978 -19.108
  715    H    GLU  88           H        GLU  88 -13.028  13.284 -20.392
  716    HA   GLU  88           HA       GLU  88 -15.839  14.072 -20.320
  717   1HB   GLU  88          2HB       GLU  88 -14.290  12.507 -22.400
  718   2HB   GLU  88          1HB       GLU  88 -15.965  13.023 -22.546
  719   1HG   GLU  88          2HG       GLU  88 -15.307  15.336 -22.561
  720   2HG   GLU  88          1HG       GLU  88 -13.629  14.895 -22.249
  721    H    ASP  89           H        ASP  89 -16.683  12.858 -18.663
  722    HA   ASP  89           HA       ASP  89 -16.097   9.979 -18.627
  723   1HB   ASP  89          2HB       ASP  89 -16.684   9.965 -16.328
  724   2HB   ASP  89          1HB       ASP  89 -15.713  11.414 -16.562
  725    H    LYS  90           H        LYS  90 -18.395  12.095 -19.695
  726    HA   LYS  90           HA       LYS  90 -20.406   9.969 -19.804
  727   1HB   LYS  90          2HB       LYS  90 -20.927  12.830 -18.965
  728   2HB   LYS  90          1HB       LYS  90 -22.192  11.698 -19.423
  729   1HG   LYS  90          2HG       LYS  90 -21.575  10.235 -17.573
  730   2HG   LYS  90          1HG       LYS  90 -20.282  11.345 -17.118
  731   1HD   LYS  90          2HD       LYS  90 -23.205  12.079 -17.204
  732   2HD   LYS  90          1HD       LYS  90 -22.349  11.576 -15.748
  733   1HE   LYS  90          2HE       LYS  90 -21.642  13.964 -17.451
  734   2HE   LYS  90          1HE       LYS  90 -22.546  14.026 -15.941
  735   1HZ   LYS  90          1HZ       LYS  90 -20.612  13.114 -14.798
  736   2HZ   LYS  90          2HZ       LYS  90 -20.235  14.561 -15.581
  737   3HZ   LYS  90          3HZ       LYS  90 -19.736  13.090 -16.249
  738    H    LYS  91           H        LYS  91 -21.781  10.094 -21.649
  739    HA   LYS  91           HA       LYS  91 -20.603  11.710 -23.791
  740   1HB   LYS  91          2HB       LYS  91 -22.489   9.350 -23.973
  741   2HB   LYS  91          1HB       LYS  91 -21.752  10.180 -25.337
  742   1HG   LYS  91          2HG       LYS  91 -19.522   9.505 -24.450
  743   2HG   LYS  91          1HG       LYS  91 -20.361   8.540 -23.233
  744   1HD   LYS  91          2HD       LYS  91 -21.488   7.298 -25.048
  745   2HD   LYS  91          1HD       LYS  91 -20.554   8.220 -26.226
  746   1HE   LYS  91          2HE       LYS  91 -19.450   6.369 -24.115
  747   2HE   LYS  91          1HE       LYS  91 -19.551   6.037 -25.841
  748   1HZ   LYS  91          1HZ       LYS  91 -17.879   8.100 -24.521
  749   2HZ   LYS  91          2HZ       LYS  91 -18.062   7.965 -26.196
  750   3HZ   LYS  91          3HZ       LYS  91 -17.339   6.712 -25.323