REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3l3o_1_C DATA FIRST_RESID 1336 DATA SEQUENCE cNKFDLKVTI KPAPEXXXXX XXAKNTMILE IcTRYRGDQD ATMSILDISM DATA SEQUENCE MTGFAPDTDD LKQLANGVDR YISKYELDKA FSDRNTLIIY LDKVSHSEDD DATA SEQUENCE cLAFKVHQYF NVELIQPGAV KVYAYYNLEE ScTRFYHPEK EDGKLNKLcR DATA SEQUENCE DELcRCAEEN cFIXXXXXKV TLEERLDKAc EPGVDYVYKT RLVKVQLSND DATA SEQUENCE FDEYIMAIEQ TIKSGSDEVQ VGQQRTFISP IKcREALKLE EKKHYLMWGL DATA SEQUENCE SSDFWGEKPN LSYIIGKDTW VEHWPEEDEc QDEENQKQcQ DLGAFTESMV DATA SEQUENCE VFGcPN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1336 c HA 0.000 nan 4.570 nan 0.000 0.325 1336 c C 0.000 174.154 174.090 0.107 0.000 1.270 1336 c CA 0.000 56.395 56.329 0.110 0.000 1.963 1336 c CB 0.000 42.572 42.510 0.104 0.000 2.134 1337 N N 1.083 119.830 118.700 0.080 0.000 2.282 1337 N HA -0.355 4.381 4.740 -0.006 0.000 0.222 1337 N C 0.376 175.892 175.510 0.009 0.000 0.937 1337 N CA 2.740 55.812 53.050 0.037 0.000 2.775 1337 N CB -1.308 37.193 38.487 0.025 0.000 0.817 1337 N HN 0.687 nan 8.380 nan 0.000 0.463 1338 K N -1.187 119.250 120.400 0.061 0.000 2.228 1338 K HA 0.318 4.634 4.320 -0.006 0.000 0.202 1338 K C -0.332 176.199 176.600 -0.115 0.000 1.051 1338 K CA 0.990 57.268 56.287 -0.016 0.000 0.960 1338 K CB 0.061 32.649 32.500 0.148 0.000 0.743 1338 K HN 0.316 nan 8.250 nan 0.000 0.458 1339 F N 0.219 120.262 119.950 0.155 0.000 2.577 1339 F HA 0.296 4.819 4.527 -0.006 0.000 0.318 1339 F C -0.401 175.454 175.800 0.093 0.000 1.065 1339 F CA -1.265 56.835 58.000 0.166 0.000 0.929 1339 F CB 1.714 40.805 39.000 0.152 0.000 1.237 1339 F HN -0.216 nan 8.300 nan 0.000 0.468 1340 D N 1.786 122.351 120.400 0.274 0.000 2.181 1340 D HA 0.577 5.213 4.640 -0.006 0.000 0.248 1340 D C -1.333 175.058 176.300 0.151 0.000 1.020 1340 D CA -0.157 53.940 54.000 0.163 0.000 0.891 1340 D CB 2.194 43.057 40.800 0.105 0.000 1.187 1340 D HN 0.242 nan 8.370 nan 0.000 0.443 1341 L N 1.973 123.255 121.223 0.098 0.000 2.555 1341 L HA 0.317 4.653 4.340 -0.006 0.000 0.264 1341 L C -1.442 175.454 176.870 0.043 0.000 0.972 1341 L CA -0.496 54.382 54.840 0.064 0.000 0.876 1341 L CB 1.318 43.407 42.059 0.051 0.000 1.216 1341 L HN 0.113 nan 8.230 nan 0.000 0.415 1342 K N 3.383 123.798 120.400 0.025 0.000 2.367 1342 K HA 0.687 5.003 4.320 -0.006 0.000 0.263 1342 K C -1.146 175.445 176.600 -0.015 0.000 1.000 1342 K CA -0.282 56.012 56.287 0.012 0.000 0.891 1342 K CB 1.947 34.451 32.500 0.007 0.000 1.117 1342 K HN 0.281 nan 8.250 nan 0.000 0.443 1343 V N 3.645 123.555 119.914 -0.007 0.000 2.293 1343 V HA 0.246 4.363 4.120 -0.006 0.000 0.275 1343 V C -0.472 175.579 176.094 -0.071 0.000 1.021 1343 V CA -0.847 61.425 62.300 -0.047 0.000 0.815 1343 V CB 1.045 32.881 31.823 0.022 0.000 1.025 1343 V HN 0.767 nan 8.190 nan 0.000 0.448 1344 T N 4.561 119.037 114.554 -0.131 0.000 2.747 1344 T HA 0.482 4.829 4.350 -0.006 0.000 0.301 1344 T C -0.210 174.365 174.700 -0.207 0.000 0.952 1344 T CA -0.190 61.835 62.100 -0.126 0.000 0.983 1344 T CB 1.078 69.882 68.868 -0.107 0.000 0.930 1344 T HN 0.316 nan 8.240 nan 0.000 0.494 1345 I N 4.234 124.702 120.570 -0.170 0.000 2.313 1345 I HA 0.292 4.458 4.170 -0.006 0.000 0.286 1345 I C -0.172 175.872 176.117 -0.122 0.000 1.091 1345 I CA -0.936 60.234 61.300 -0.217 0.000 1.216 1345 I CB -0.388 37.507 38.000 -0.175 0.000 1.434 1345 I HN 0.469 nan 8.210 nan 0.000 0.487 1346 K N 7.294 127.616 120.400 -0.130 0.000 2.156 1346 K HA 0.634 4.951 4.320 -0.006 0.000 0.250 1346 K C -2.614 173.943 176.600 -0.073 0.000 0.955 1346 K CA -1.812 54.426 56.287 -0.082 0.000 0.855 1346 K CB 0.947 33.399 32.500 -0.079 0.000 1.101 1346 K HN 0.189 nan 8.250 nan 0.000 0.434 1347 P HA 0.108 nan 4.420 nan 0.000 0.278 1347 P C -1.154 176.121 177.300 -0.042 0.000 1.238 1347 P CA -0.334 62.746 63.100 -0.033 0.000 0.794 1347 P CB 0.981 32.672 31.700 -0.015 0.000 0.955 1348 A N 3.603 126.396 122.820 -0.045 0.000 2.279 1348 A HA 0.694 5.011 4.320 -0.006 0.000 0.303 1348 A C -1.893 175.674 177.584 -0.028 0.000 1.108 1348 A CA -0.977 51.033 52.037 -0.044 0.000 0.830 1348 A CB -0.865 18.101 19.000 -0.056 0.000 1.106 1348 A HN 0.466 nan 8.150 nan 0.000 0.493 1349 P HA 0.681 nan 4.420 nan 0.000 0.287 1349 P C -0.483 176.812 177.300 -0.008 0.000 1.296 1349 P CA -0.215 62.877 63.100 -0.014 0.000 0.811 1349 P CB 0.985 32.677 31.700 -0.014 0.000 1.211 1359 K N -0.517 119.887 120.400 0.006 0.000 3.547 1359 K HA -0.235 4.081 4.320 -0.006 0.000 0.309 1359 K C 0.582 177.178 176.600 -0.006 0.000 1.324 1359 K CA 1.646 57.933 56.287 -0.000 0.000 0.988 1359 K CB -1.410 31.091 32.500 0.000 0.000 1.261 1359 K HN 0.741 nan 8.250 nan 0.000 0.444 1360 N N -0.299 118.390 118.700 -0.018 0.000 2.474 1360 N HA -0.037 4.699 4.740 -0.006 0.000 0.224 1360 N C 0.426 175.922 175.510 -0.023 0.000 1.092 1360 N CA 0.815 53.846 53.050 -0.031 0.000 0.844 1360 N CB 0.079 38.507 38.487 -0.098 0.000 1.381 1360 N HN 0.124 nan 8.380 nan 0.000 0.458 1361 T N 1.502 116.026 114.554 -0.051 0.000 2.946 1361 T HA 0.317 4.664 4.350 -0.006 0.000 0.312 1361 T C 0.354 175.015 174.700 -0.065 0.000 1.066 1361 T CA 0.077 62.120 62.100 -0.095 0.000 1.138 1361 T CB -0.054 68.725 68.868 -0.148 0.000 1.014 1361 T HN 0.331 nan 8.240 nan 0.000 0.544 1362 M N 3.182 122.746 119.600 -0.060 0.000 2.948 1362 M HA 0.600 5.076 4.480 -0.006 0.000 0.278 1362 M C -1.312 174.916 176.300 -0.120 0.000 1.293 1362 M CA -1.254 54.010 55.300 -0.060 0.000 0.777 1362 M CB 1.834 34.430 32.600 -0.006 0.000 1.713 1362 M HN 0.333 nan 8.290 nan 0.000 0.444 1363 I N 2.082 122.566 120.570 -0.144 0.000 2.389 1363 I HA 0.398 4.565 4.170 -0.006 0.000 0.288 1363 I C -1.390 174.540 176.117 -0.312 0.000 0.999 1363 I CA -0.925 60.253 61.300 -0.203 0.000 1.129 1363 I CB 2.006 39.907 38.000 -0.164 0.000 1.288 1363 I HN 0.439 nan 8.210 nan 0.000 0.444 1364 L N 7.199 128.128 121.223 -0.489 0.000 2.275 1364 L HA 0.425 4.761 4.340 -0.006 0.000 0.288 1364 L C -0.261 176.214 176.870 -0.658 0.000 1.046 1364 L CA 0.197 54.627 54.840 -0.682 0.000 0.805 1364 L CB 0.995 42.501 42.059 -0.921 0.000 1.193 1364 L HN 0.580 nan 8.230 nan 0.000 0.426 1365 E N 5.144 125.069 120.200 -0.459 0.000 2.210 1365 E HA 0.501 4.847 4.350 -0.006 0.000 0.266 1365 E C -1.412 175.033 176.600 -0.257 0.000 0.883 1365 E CA -0.555 55.650 56.400 -0.325 0.000 0.761 1365 E CB 1.379 30.951 29.700 -0.212 0.000 1.156 1365 E HN 0.623 nan 8.360 nan 0.000 0.412 1366 I N 4.004 124.452 120.570 -0.203 0.000 2.418 1366 I HA 0.354 4.521 4.170 -0.006 0.000 0.287 1366 I C -0.863 175.212 176.117 -0.070 0.000 1.008 1366 I CA -0.813 60.410 61.300 -0.128 0.000 1.104 1366 I CB 1.612 39.544 38.000 -0.114 0.000 1.264 1366 I HN 0.512 nan 8.210 nan 0.000 0.438 1367 c N 4.095 122.670 118.600 -0.041 0.000 2.340 1367 c HA 0.687 5.253 4.570 -0.006 0.000 0.323 1367 c C 0.326 174.431 174.090 0.025 0.000 1.260 1367 c CA -0.392 55.931 56.329 -0.010 0.000 1.464 1367 c CB 1.446 43.948 42.510 -0.013 0.000 2.156 1367 c HN 0.748 nan 8.230 nan 0.000 0.476 1368 T N 3.122 117.708 114.554 0.052 0.000 2.900 1368 T HA 0.706 5.053 4.350 -0.006 0.000 0.295 1368 T C -1.045 173.741 174.700 0.143 0.000 1.044 1368 T CA -0.449 61.720 62.100 0.116 0.000 0.995 1368 T CB 1.195 70.143 68.868 0.133 0.000 1.072 1368 T HN 0.827 nan 8.240 nan 0.000 0.473 1369 R N 2.085 122.698 120.500 0.188 0.000 2.725 1369 R HA 0.512 4.849 4.340 -0.006 0.000 0.277 1369 R C -1.987 174.437 176.300 0.207 0.000 0.987 1369 R CA -0.741 55.457 56.100 0.163 0.000 0.901 1369 R CB 1.476 31.826 30.300 0.082 0.000 1.207 1369 R HN 0.622 nan 8.270 nan 0.000 0.463 1370 Y N 2.512 122.799 120.300 -0.021 0.000 2.320 1370 Y HA 0.377 4.923 4.550 -0.006 0.000 0.334 1370 Y C -0.434 175.391 175.900 -0.125 0.000 1.055 1370 Y CA -0.866 57.093 58.100 -0.235 0.000 1.143 1370 Y CB 1.100 39.422 38.460 -0.231 0.000 1.193 1370 Y HN 0.450 nan 8.280 nan 0.000 0.477 1371 R N 4.555 124.712 120.500 -0.572 0.000 2.419 1371 R HA 0.519 4.855 4.340 -0.006 0.000 0.305 1371 R C -0.187 175.679 176.300 -0.723 0.000 1.242 1371 R CA 0.049 55.873 56.100 -0.461 0.000 1.105 1371 R CB -0.138 29.998 30.300 -0.272 0.000 1.116 1371 R HN 0.925 nan 8.270 nan 0.000 0.523 1372 G N 0.531 109.016 108.800 -0.526 0.000 2.488 1372 G HA2 0.016 3.972 3.960 -0.006 0.000 0.301 1372 G HA3 0.016 3.972 3.960 -0.006 0.000 0.301 1372 G C -0.642 174.098 174.900 -0.267 0.000 1.339 1372 G CA -0.566 44.268 45.100 -0.442 0.000 0.803 1372 G HN 0.243 nan 8.290 nan 0.000 0.482 1373 D N -0.304 119.936 120.400 -0.268 0.000 2.201 1373 D HA 0.100 4.736 4.640 -0.006 0.000 0.209 1373 D C 0.807 176.709 176.300 -0.663 0.000 0.961 1373 D CA 1.021 54.769 54.000 -0.420 0.000 0.861 1373 D CB 0.269 40.936 40.800 -0.222 0.000 0.997 1373 D HN 0.296 nan 8.370 nan 0.000 0.486 1374 Q N 1.015 120.670 119.800 -0.242 0.000 2.204 1374 Q HA 0.295 4.632 4.340 -0.006 0.000 0.254 1374 Q C -0.597 175.520 176.000 0.195 0.000 0.981 1374 Q CA -0.573 55.198 55.803 -0.053 0.000 0.897 1374 Q CB 0.722 29.484 28.738 0.039 0.000 1.273 1374 Q HN -0.044 nan 8.270 nan 0.000 0.464 1375 D N 0.864 121.435 120.400 0.285 0.000 2.424 1375 D HA 0.292 4.928 4.640 -0.006 0.000 0.244 1375 D C -0.049 176.364 176.300 0.188 0.000 1.134 1375 D CA 0.154 54.327 54.000 0.289 0.000 0.881 1375 D CB 0.609 41.532 40.800 0.205 0.000 1.191 1375 D HN 0.571 nan 8.370 nan 0.000 0.445 1376 A N 2.257 125.118 122.820 0.068 0.000 2.475 1376 A HA 0.384 4.700 4.320 -0.006 0.000 0.239 1376 A C 0.949 178.555 177.584 0.038 0.000 1.087 1376 A CA -0.096 51.837 52.037 -0.173 0.000 0.779 1376 A CB -0.082 18.592 19.000 -0.542 0.000 1.036 1376 A HN 0.631 nan 8.150 nan 0.000 0.506 1377 T N -0.737 113.885 114.554 0.113 0.000 2.867 1377 T HA 0.521 4.867 4.350 -0.006 0.000 0.286 1377 T C 0.573 175.365 174.700 0.154 0.000 1.022 1377 T CA -0.634 61.559 62.100 0.155 0.000 0.933 1377 T CB 0.021 69.030 68.868 0.235 0.000 1.280 1377 T HN 0.587 nan 8.240 nan 0.000 0.566 1378 M N 1.714 121.390 119.600 0.128 0.000 2.187 1378 M HA -0.038 4.438 4.480 -0.006 0.000 0.448 1378 M C -0.330 176.055 176.300 0.143 0.000 1.308 1378 M CA 1.069 56.427 55.300 0.097 0.000 0.727 1378 M CB -0.553 32.034 32.600 -0.021 0.000 1.947 1378 M HN 0.715 nan 8.290 nan 0.000 0.535 1379 S N 3.411 119.154 115.700 0.071 0.000 2.564 1379 S HA 0.726 5.193 4.470 -0.006 0.000 0.274 1379 S C -1.108 173.409 174.600 -0.139 0.000 1.124 1379 S CA -0.811 57.361 58.200 -0.046 0.000 0.869 1379 S CB 1.571 64.723 63.200 -0.079 0.000 1.105 1379 S HN 0.474 nan 8.310 nan 0.000 0.472 1380 I N 1.915 122.230 120.570 -0.424 0.000 2.359 1380 I HA 0.415 4.581 4.170 -0.006 0.000 0.294 1380 I C -0.840 174.916 176.117 -0.601 0.000 0.987 1380 I CA -0.155 60.817 61.300 -0.547 0.000 1.225 1380 I CB 1.092 38.543 38.000 -0.914 0.000 1.366 1380 I HN 0.451 nan 8.210 nan 0.000 0.466 1381 L N 5.926 126.898 121.223 -0.418 0.000 2.277 1381 L HA 0.356 4.692 4.340 -0.006 0.000 0.284 1381 L C -0.649 176.063 176.870 -0.262 0.000 1.028 1381 L CA -0.417 54.239 54.840 -0.307 0.000 0.835 1381 L CB 0.847 42.791 42.059 -0.191 0.000 1.215 1381 L HN 0.469 nan 8.230 nan 0.000 0.425 1382 D N 5.250 125.527 120.400 -0.205 0.000 2.485 1382 D HA 0.365 5.001 4.640 -0.006 0.000 0.221 1382 D C -0.265 175.999 176.300 -0.060 0.000 1.112 1382 D CA -0.165 53.765 54.000 -0.116 0.000 0.911 1382 D CB 0.514 41.295 40.800 -0.031 0.000 1.019 1382 D HN 0.222 nan 8.370 nan 0.000 0.516 1383 I N 1.505 122.055 120.570 -0.033 0.000 2.566 1383 I HA 0.354 4.521 4.170 -0.006 0.000 0.303 1383 I C 0.539 176.686 176.117 0.050 0.000 0.983 1383 I CA -0.636 60.687 61.300 0.039 0.000 1.235 1383 I CB 1.680 39.745 38.000 0.109 0.000 1.386 1383 I HN 0.293 nan 8.210 nan 0.000 0.494 1384 S N 5.003 120.750 115.700 0.078 0.000 2.549 1384 S HA 0.646 5.112 4.470 -0.006 0.000 0.280 1384 S C -0.699 173.965 174.600 0.107 0.000 1.109 1384 S CA -1.067 57.174 58.200 0.069 0.000 0.905 1384 S CB 1.858 65.069 63.200 0.018 0.000 1.081 1384 S HN 0.323 nan 8.310 nan 0.000 0.477 1385 M N 2.360 122.032 119.600 0.120 0.000 2.255 1385 M HA 0.387 4.863 4.480 -0.006 0.000 0.336 1385 M C 0.096 176.417 176.300 0.035 0.000 1.135 1385 M CA -0.371 55.017 55.300 0.148 0.000 1.145 1385 M CB 0.560 33.280 32.600 0.200 0.000 1.473 1385 M HN 0.760 nan 8.290 nan 0.000 0.462 1386 M N 1.158 120.719 119.600 -0.065 0.000 2.200 1386 M HA 0.137 4.613 4.480 -0.006 0.000 0.355 1386 M C 0.717 177.057 176.300 0.067 0.000 1.283 1386 M CA -0.402 54.796 55.300 -0.170 0.000 1.124 1386 M CB -0.051 32.227 32.600 -0.538 0.000 1.625 1386 M HN 0.766 nan 8.290 nan 0.000 0.463 1387 T N 0.818 115.427 114.554 0.091 0.000 2.709 1387 T HA 0.209 4.555 4.350 -0.006 0.000 0.269 1387 T C 1.132 175.996 174.700 0.272 0.000 1.008 1387 T CA 0.830 63.038 62.100 0.180 0.000 1.194 1387 T CB -0.212 68.751 68.868 0.158 0.000 0.986 1387 T HN 1.048 nan 8.240 nan 0.000 0.508 1388 G N 2.982 111.928 108.800 0.243 0.000 2.255 1388 G HA2 -0.105 3.851 3.960 -0.006 0.000 0.196 1388 G HA3 -0.105 3.851 3.960 -0.006 0.000 0.196 1388 G C -0.061 174.675 174.900 -0.274 0.000 0.998 1388 G CA -0.286 44.840 45.100 0.043 0.000 0.656 1388 G HN 0.727 nan 8.290 nan 0.000 0.490 1389 F N 0.940 120.761 119.950 -0.215 0.000 2.594 1389 F HA 0.828 5.351 4.527 -0.007 0.000 0.335 1389 F C 0.498 176.296 175.800 -0.005 0.000 1.058 1389 F CA -0.569 57.349 58.000 -0.137 0.000 0.981 1389 F CB 2.387 41.378 39.000 -0.015 0.000 1.289 1389 F HN 0.517 nan 8.300 nan 0.000 0.490 1390 A N 1.373 124.345 122.820 0.254 0.000 2.582 1390 A HA 0.614 4.930 4.320 -0.006 0.000 0.297 1390 A C -3.108 174.474 177.584 -0.003 0.000 1.059 1390 A CA -1.577 50.602 52.037 0.237 0.000 0.705 1390 A CB 0.977 20.295 19.000 0.530 0.000 1.279 1390 A HN 0.326 nan 8.150 nan 0.000 0.404 1391 P HA 0.079 nan 4.420 nan 0.000 0.264 1391 P C -0.613 176.596 177.300 -0.151 0.000 1.179 1391 P CA 0.429 63.471 63.100 -0.096 0.000 0.763 1391 P CB 0.423 31.895 31.700 -0.379 0.000 0.806 1392 D N 1.346 121.753 120.400 0.012 0.000 2.401 1392 D HA -0.004 4.632 4.640 -0.006 0.000 0.254 1392 D C 1.017 177.306 176.300 -0.020 0.000 1.192 1392 D CA 0.323 54.343 54.000 0.033 0.000 0.885 1392 D CB 0.517 41.495 40.800 0.296 0.000 1.147 1392 D HN 0.307 nan 8.370 nan 0.000 0.478 1393 T N 1.148 115.696 114.554 -0.010 0.000 2.643 1393 T HA -0.201 4.146 4.350 -0.006 0.000 0.264 1393 T C 1.263 175.965 174.700 0.002 0.000 1.045 1393 T CA 1.105 63.207 62.100 0.005 0.000 1.155 1393 T CB -0.291 68.611 68.868 0.056 0.000 0.863 1393 T HN 0.496 nan 8.240 nan 0.000 0.420 1394 D N 2.032 122.445 120.400 0.022 0.000 2.254 1394 D HA -0.182 4.454 4.640 -0.006 0.000 0.201 1394 D C 1.469 177.783 176.300 0.024 0.000 0.998 1394 D CA 1.671 55.685 54.000 0.023 0.000 0.885 1394 D CB -0.406 40.414 40.800 0.033 0.000 0.915 1394 D HN 0.483 nan 8.370 nan 0.000 0.460 1395 D N 0.602 121.021 120.400 0.031 0.000 2.110 1395 D HA 0.001 4.637 4.640 -0.006 0.000 0.202 1395 D C 2.342 178.646 176.300 0.008 0.000 0.975 1395 D CA 0.191 54.217 54.000 0.043 0.000 0.839 1395 D CB -0.392 40.465 40.800 0.095 0.000 0.996 1395 D HN 0.124 nan 8.370 nan 0.000 0.464 1396 L N 0.375 121.566 121.223 -0.053 0.000 2.043 1396 L HA -0.239 4.097 4.340 -0.006 0.000 0.212 1396 L C 2.138 178.972 176.870 -0.060 0.000 1.075 1396 L CA 1.289 56.062 54.840 -0.111 0.000 0.752 1396 L CB -0.218 41.731 42.059 -0.185 0.000 0.891 1396 L HN -0.002 nan 8.230 nan 0.000 0.432 1397 K N -0.417 119.962 120.400 -0.034 0.000 1.978 1397 K HA -0.269 4.047 4.320 -0.006 0.000 0.214 1397 K C 1.925 178.525 176.600 -0.000 0.000 1.049 1397 K CA 1.577 57.854 56.287 -0.016 0.000 0.939 1397 K CB -0.375 32.123 32.500 -0.004 0.000 0.721 1397 K HN 0.057 nan 8.250 nan 0.000 0.441 1398 Q N 0.998 120.804 119.800 0.009 0.000 2.066 1398 Q HA -0.274 4.062 4.340 -0.006 0.000 0.216 1398 Q C 1.804 177.818 176.000 0.023 0.000 1.035 1398 Q CA 2.351 58.166 55.803 0.020 0.000 0.897 1398 Q CB -0.720 28.034 28.738 0.027 0.000 1.010 1398 Q HN 0.339 nan 8.270 nan 0.000 0.416 1399 L N -0.609 120.628 121.223 0.022 0.000 1.978 1399 L HA -0.296 4.040 4.340 -0.006 0.000 0.218 1399 L C 2.459 179.345 176.870 0.027 0.000 1.075 1399 L CA 1.599 56.456 54.840 0.027 0.000 0.767 1399 L CB -0.865 41.208 42.059 0.024 0.000 0.890 1399 L HN 0.485 nan 8.230 nan 0.000 0.434 1400 A N -0.477 122.349 122.820 0.009 0.000 2.019 1400 A HA -0.201 4.115 4.320 -0.006 0.000 0.219 1400 A C 1.992 179.616 177.584 0.067 0.000 1.164 1400 A CA 1.731 53.783 52.037 0.025 0.000 0.644 1400 A CB -0.682 18.302 19.000 -0.027 0.000 0.805 1400 A HN 0.551 nan 8.150 nan 0.000 0.449 1401 N N 0.414 119.143 118.700 0.047 0.000 2.244 1401 N HA -0.079 4.657 4.740 -0.006 0.000 0.183 1401 N C 1.198 176.739 175.510 0.052 0.000 1.016 1401 N CA 0.813 53.892 53.050 0.049 0.000 0.866 1401 N CB -0.329 38.178 38.487 0.034 0.000 0.980 1401 N HN 0.480 nan 8.380 nan 0.000 0.430 1402 G N 1.254 110.084 108.800 0.050 0.000 2.630 1402 G HA2 0.188 4.144 3.960 -0.006 0.000 0.236 1402 G HA3 0.188 4.144 3.960 -0.006 0.000 0.236 1402 G C -0.044 174.892 174.900 0.060 0.000 1.248 1402 G CA -0.266 44.863 45.100 0.048 0.000 0.844 1402 G HN 0.024 nan 8.290 nan 0.000 0.588 1403 V N 1.066 121.010 119.914 0.049 0.000 2.973 1403 V HA 0.452 4.568 4.120 -0.006 0.000 0.314 1403 V C 0.815 176.941 176.094 0.054 0.000 1.066 1403 V CA 0.584 62.914 62.300 0.050 0.000 1.021 1403 V CB 1.428 33.272 31.823 0.035 0.000 1.076 1403 V HN 1.008 nan 8.190 nan 0.000 0.462 1404 D N 1.096 121.529 120.400 0.055 0.000 2.495 1404 D HA -0.148 4.488 4.640 -0.006 0.000 0.175 1404 D C 0.338 176.687 176.300 0.082 0.000 1.040 1404 D CA 1.652 55.688 54.000 0.059 0.000 1.049 1404 D CB -0.583 40.248 40.800 0.051 0.000 1.105 1404 D HN 0.713 nan 8.370 nan 0.000 0.457 1405 R N -0.472 120.087 120.500 0.098 0.000 2.837 1405 R HA 0.704 5.040 4.340 -0.006 0.000 0.271 1405 R C -1.018 175.406 176.300 0.208 0.000 0.993 1405 R CA -0.883 55.294 56.100 0.128 0.000 0.931 1405 R CB 2.733 33.081 30.300 0.080 0.000 1.206 1405 R HN 0.166 nan 8.270 nan 0.000 0.474 1406 Y N 1.069 121.412 120.300 0.072 0.000 2.521 1406 Y HA 0.522 5.067 4.550 -0.007 0.000 0.328 1406 Y C -2.012 173.965 175.900 0.128 0.000 1.151 1406 Y CA -0.840 57.310 58.100 0.084 0.000 1.054 1406 Y CB 1.477 39.982 38.460 0.076 0.000 1.338 1406 Y HN 0.527 nan 8.280 nan 0.000 0.453 1407 I N 4.509 124.649 120.570 -0.718 0.000 2.608 1407 I HA 0.430 4.596 4.170 -0.006 0.000 0.295 1407 I C -0.164 175.371 176.117 -0.971 0.000 1.049 1407 I CA -1.252 59.588 61.300 -0.766 0.000 1.063 1407 I CB 2.271 40.079 38.000 -0.319 0.000 1.248 1407 I HN 0.768 nan 8.210 nan 0.000 0.424 1408 S N 4.870 120.174 115.700 -0.660 0.000 2.560 1408 S HA 0.053 4.520 4.470 -0.006 0.000 0.284 1408 S C 1.067 175.678 174.600 0.019 0.000 1.327 1408 S CA -0.145 57.990 58.200 -0.108 0.000 1.055 1408 S CB 1.111 64.419 63.200 0.181 0.000 0.868 1408 S HN 0.835 nan 8.310 nan 0.000 0.506 1409 K N 2.410 122.885 120.400 0.125 0.000 2.000 1409 K HA -0.284 4.033 4.320 -0.006 0.000 0.218 1409 K C 1.781 178.432 176.600 0.086 0.000 1.053 1409 K CA 2.310 58.649 56.287 0.086 0.000 0.946 1409 K CB -0.724 31.836 32.500 0.100 0.000 0.723 1409 K HN 0.869 nan 8.250 nan 0.000 0.446 1410 Y N 1.209 121.525 120.300 0.027 0.000 2.170 1410 Y HA -0.386 4.160 4.550 -0.007 0.000 0.274 1410 Y C 2.072 177.975 175.900 0.004 0.000 1.253 1410 Y CA 2.510 60.622 58.100 0.021 0.000 1.133 1410 Y CB -0.164 38.319 38.460 0.037 0.000 0.941 1410 Y HN 0.327 nan 8.280 nan 0.000 0.518 1411 E N -0.674 119.618 120.200 0.154 0.000 2.170 1411 E HA -0.047 4.299 4.350 -0.006 0.000 0.191 1411 E C 1.814 178.382 176.600 -0.052 0.000 0.981 1411 E CA 0.760 57.194 56.400 0.057 0.000 0.830 1411 E CB -0.279 29.471 29.700 0.083 0.000 0.775 1411 E HN 0.396 nan 8.360 nan 0.000 0.470 1412 L N 1.188 122.381 121.223 -0.051 0.000 1.989 1412 L HA -0.180 4.157 4.340 -0.006 0.000 0.211 1412 L C 1.559 178.388 176.870 -0.069 0.000 1.071 1412 L CA 2.013 56.819 54.840 -0.057 0.000 0.749 1412 L CB -1.005 41.029 42.059 -0.042 0.000 0.890 1412 L HN 0.158 nan 8.230 nan 0.000 0.431 1413 D N -0.298 120.047 120.400 -0.092 0.000 2.133 1413 D HA -0.167 4.470 4.640 -0.006 0.000 0.195 1413 D C 0.810 177.036 176.300 -0.123 0.000 0.997 1413 D CA 1.012 54.949 54.000 -0.105 0.000 0.840 1413 D CB -0.425 40.299 40.800 -0.127 0.000 0.947 1413 D HN 0.423 nan 8.370 nan 0.000 0.452 1414 K N 0.919 121.218 120.400 -0.169 0.000 2.494 1414 K HA 0.292 4.609 4.320 -0.006 0.000 0.273 1414 K C 0.002 176.552 176.600 -0.083 0.000 0.970 1414 K CA -0.198 56.002 56.287 -0.144 0.000 0.963 1414 K CB 0.345 32.754 32.500 -0.152 0.000 0.913 1414 K HN -0.009 nan 8.250 nan 0.000 0.502 1415 A N 2.613 125.375 122.820 -0.096 0.000 2.401 1415 A HA 0.181 4.497 4.320 -0.006 0.000 0.259 1415 A C 0.906 178.452 177.584 -0.062 0.000 1.103 1415 A CA -0.718 51.252 52.037 -0.112 0.000 0.789 1415 A CB -0.417 18.471 19.000 -0.186 0.000 1.035 1415 A HN 0.936 nan 8.150 nan 0.000 0.491 1416 F N 2.637 122.551 119.950 -0.059 0.000 2.111 1416 F HA -0.266 4.258 4.527 -0.004 0.000 0.300 1416 F C 2.144 177.958 175.800 0.023 0.000 1.088 1416 F CA 1.991 59.981 58.000 -0.016 0.000 1.243 1416 F CB -0.337 38.663 39.000 -0.001 0.000 0.996 1416 F HN 0.498 nan 8.300 nan 0.000 0.483 1417 S N -0.434 115.082 115.700 -0.305 0.000 2.423 1417 S HA -0.280 4.187 4.470 -0.006 0.000 0.238 1417 S C 1.600 176.193 174.600 -0.011 0.000 1.028 1417 S CA 1.858 59.892 58.200 -0.277 0.000 1.000 1417 S CB -0.847 61.928 63.200 -0.708 0.000 0.797 1417 S HN 0.668 nan 8.310 nan 0.000 0.487 1418 D N 0.169 120.566 120.400 -0.006 0.000 2.368 1418 D HA 0.162 4.798 4.640 -0.006 0.000 0.218 1418 D C 0.446 176.787 176.300 0.069 0.000 1.112 1418 D CA -0.013 53.990 54.000 0.006 0.000 0.834 1418 D CB 0.140 40.910 40.800 -0.050 0.000 0.953 1418 D HN 0.291 nan 8.370 nan 0.000 0.505 1419 R N 1.469 122.051 120.500 0.137 0.000 3.057 1419 R HA 0.092 4.428 4.340 -0.006 0.000 0.291 1419 R C 0.992 177.381 176.300 0.148 0.000 1.394 1419 R CA -0.188 55.986 56.100 0.122 0.000 1.630 1419 R CB 0.008 30.368 30.300 0.100 0.000 1.268 1419 R HN 0.037 nan 8.270 nan 0.000 0.621 1420 N N -0.538 118.249 118.700 0.145 0.000 2.422 1420 N HA -0.066 4.670 4.740 -0.006 0.000 0.181 1420 N C 0.344 175.918 175.510 0.108 0.000 1.080 1420 N CA 0.298 53.438 53.050 0.149 0.000 0.893 1420 N CB 0.503 39.083 38.487 0.155 0.000 0.973 1420 N HN 0.274 nan 8.380 nan 0.000 0.456 1421 T N -1.679 112.925 114.554 0.083 0.000 2.864 1421 T HA 0.689 5.035 4.350 -0.006 0.000 0.289 1421 T C -1.023 173.700 174.700 0.037 0.000 1.082 1421 T CA -0.787 61.348 62.100 0.058 0.000 1.009 1421 T CB 1.811 70.707 68.868 0.047 0.000 1.234 1421 T HN 0.196 nan 8.240 nan 0.000 0.526 1422 L N 0.057 121.282 121.223 0.003 0.000 3.077 1422 L HA 0.628 4.964 4.340 -0.006 0.000 0.254 1422 L C -2.344 174.464 176.870 -0.103 0.000 0.959 1422 L CA -0.599 54.217 54.840 -0.040 0.000 1.030 1422 L CB 0.729 42.748 42.059 -0.067 0.000 1.679 1422 L HN 0.903 nan 8.230 nan 0.000 0.468 1423 I N 4.826 125.289 120.570 -0.178 0.000 2.412 1423 I HA 0.528 4.694 4.170 -0.006 0.000 0.296 1423 I C -0.402 175.425 176.117 -0.483 0.000 0.987 1423 I CA -0.561 60.520 61.300 -0.364 0.000 1.180 1423 I CB 1.867 39.559 38.000 -0.514 0.000 1.340 1423 I HN 0.505 nan 8.210 nan 0.000 0.455 1424 I N 6.383 126.683 120.570 -0.450 0.000 2.359 1424 I HA 0.275 4.442 4.170 -0.006 0.000 0.284 1424 I C -0.817 175.086 176.117 -0.356 0.000 1.018 1424 I CA -0.575 60.521 61.300 -0.339 0.000 1.173 1424 I CB 0.722 38.633 38.000 -0.150 0.000 1.326 1424 I HN 0.424 nan 8.210 nan 0.000 0.462 1425 Y N 6.346 126.632 120.300 -0.023 0.000 2.304 1425 Y HA 0.453 4.999 4.550 -0.007 0.000 0.327 1425 Y C -0.004 175.922 175.900 0.044 0.000 1.209 1425 Y CA -0.383 57.736 58.100 0.032 0.000 1.299 1425 Y CB 0.748 39.304 38.460 0.159 0.000 1.249 1425 Y HN 0.366 nan 8.280 nan 0.000 0.519 1426 L N 2.271 123.588 121.223 0.156 0.000 2.386 1426 L HA 0.338 4.674 4.340 -0.006 0.000 0.271 1426 L C 0.177 177.103 176.870 0.093 0.000 0.993 1426 L CA -0.519 54.378 54.840 0.095 0.000 0.819 1426 L CB 1.798 43.879 42.059 0.037 0.000 1.294 1426 L HN 0.617 nan 8.230 nan 0.000 0.414 1427 D N 1.744 122.192 120.400 0.080 0.000 2.312 1427 D HA -0.023 4.613 4.640 -0.006 0.000 0.211 1427 D C 0.126 176.462 176.300 0.059 0.000 0.964 1427 D CA 0.933 54.966 54.000 0.055 0.000 0.877 1427 D CB 0.240 41.065 40.800 0.042 0.000 0.924 1427 D HN 0.542 nan 8.370 nan 0.000 0.515 1428 K N -1.655 118.785 120.400 0.067 0.000 2.685 1428 K HA 0.427 4.744 4.320 -0.006 0.000 0.290 1428 K C -1.543 175.108 176.600 0.085 0.000 1.018 1428 K CA -1.012 55.320 56.287 0.076 0.000 0.860 1428 K CB 1.585 34.129 32.500 0.074 0.000 1.498 1428 K HN -0.176 nan 8.250 nan 0.000 0.390 1429 V N -1.796 118.182 119.914 0.107 0.000 2.612 1429 V HA 0.507 4.623 4.120 -0.006 0.000 0.301 1429 V C -0.263 175.926 176.094 0.157 0.000 1.059 1429 V CA -0.762 61.621 62.300 0.139 0.000 0.886 1429 V CB 1.387 33.342 31.823 0.220 0.000 1.007 1429 V HN 0.829 nan 8.190 nan 0.000 0.426 1430 S N 2.621 118.393 115.700 0.119 0.000 2.560 1430 S HA 0.124 4.590 4.470 -0.006 0.000 0.284 1430 S C 1.317 175.993 174.600 0.126 0.000 1.327 1430 S CA 0.399 58.654 58.200 0.091 0.000 1.055 1430 S CB 0.069 63.272 63.200 0.005 0.000 0.868 1430 S HN 1.181 nan 8.310 nan 0.000 0.506 1431 H N 2.576 121.718 119.070 0.121 0.000 2.535 1431 H HA 0.106 4.658 4.556 -0.006 0.000 0.273 1431 H C 1.301 176.648 175.328 0.032 0.000 0.983 1431 H CA 0.931 57.029 56.048 0.084 0.000 1.238 1431 H CB -0.123 29.679 29.762 0.066 0.000 1.412 1431 H HN 0.467 nan 8.280 nan 0.000 0.562 1432 S N 0.791 116.134 115.700 -0.594 0.000 2.288 1432 S HA -0.012 4.454 4.470 -0.006 0.000 0.198 1432 S C 0.511 175.010 174.600 -0.168 0.000 1.021 1432 S CA 0.805 58.723 58.200 -0.471 0.000 0.973 1432 S CB 0.057 62.986 63.200 -0.452 0.000 0.946 1432 S HN 0.609 nan 8.310 nan 0.000 0.470 1433 E N 1.234 121.367 120.200 -0.112 0.000 2.303 1433 E HA 0.531 4.878 4.350 -0.006 0.000 0.254 1433 E C -1.498 175.094 176.600 -0.013 0.000 0.979 1433 E CA -0.950 55.421 56.400 -0.047 0.000 0.843 1433 E CB -0.114 29.563 29.700 -0.038 0.000 1.245 1433 E HN -0.096 nan 8.360 nan 0.000 0.413 1434 D N 0.557 120.958 120.400 0.001 0.000 2.390 1434 D HA 0.188 4.824 4.640 -0.006 0.000 0.249 1434 D C -0.881 175.430 176.300 0.018 0.000 1.144 1434 D CA 0.068 54.079 54.000 0.019 0.000 0.880 1434 D CB 0.400 41.208 40.800 0.013 0.000 1.182 1434 D HN 0.212 nan 8.370 nan 0.000 0.451 1435 D N 1.813 122.233 120.400 0.034 0.000 2.317 1435 D HA 0.266 4.902 4.640 -0.006 0.000 0.234 1435 D C -0.414 175.896 176.300 0.017 0.000 1.112 1435 D CA -0.180 53.837 54.000 0.028 0.000 0.840 1435 D CB 0.701 41.527 40.800 0.044 0.000 1.078 1435 D HN 0.221 nan 8.370 nan 0.000 0.486 1436 c N 2.524 121.125 118.600 0.002 0.000 2.848 1436 c HA 0.872 5.438 4.570 -0.006 0.000 0.317 1436 c C -0.615 173.464 174.090 -0.019 0.000 1.260 1436 c CA -0.688 55.631 56.329 -0.016 0.000 1.656 1436 c CB 0.986 43.480 42.510 -0.026 0.000 2.174 1436 c HN 0.623 nan 8.230 nan 0.000 0.479 1437 L N -0.400 120.798 121.223 -0.042 0.000 2.933 1437 L HA 1.064 5.400 4.340 -0.006 0.000 0.271 1437 L C -0.692 176.116 176.870 -0.103 0.000 1.071 1437 L CA -0.903 53.914 54.840 -0.038 0.000 0.938 1437 L CB 0.689 42.752 42.059 0.006 0.000 1.534 1437 L HN 1.138 nan 8.230 nan 0.000 0.396 1438 A N -0.030 122.729 122.820 -0.101 0.000 2.597 1438 A HA 0.912 5.228 4.320 -0.006 0.000 0.292 1438 A C -1.859 175.648 177.584 -0.127 0.000 1.057 1438 A CA -0.217 51.665 52.037 -0.258 0.000 0.674 1438 A CB 1.327 20.184 19.000 -0.238 0.000 1.278 1438 A HN 1.794 nan 8.150 nan 0.000 0.416 1439 F N -0.720 119.179 119.950 -0.085 0.000 2.615 1439 F HA 0.678 5.203 4.527 -0.004 0.000 0.312 1439 F C -0.348 175.395 175.800 -0.095 0.000 1.119 1439 F CA -1.108 56.849 58.000 -0.071 0.000 0.979 1439 F CB 1.313 40.280 39.000 -0.056 0.000 1.266 1439 F HN 0.482 nan 8.300 nan 0.000 0.444 1440 K N 3.210 123.677 120.400 0.112 0.000 2.451 1440 K HA 0.439 4.755 4.320 -0.006 0.000 0.280 1440 K C -0.095 176.505 176.600 0.000 0.000 1.020 1440 K CA -0.488 55.770 56.287 -0.047 0.000 1.008 1440 K CB 1.026 33.453 32.500 -0.122 0.000 0.917 1440 K HN 0.647 nan 8.250 nan 0.000 0.478 1441 V N 0.214 120.091 119.914 -0.062 0.000 2.850 1441 V HA 0.454 4.571 4.120 -0.006 0.000 0.315 1441 V C -0.541 175.425 176.094 -0.213 0.000 1.064 1441 V CA -0.714 61.609 62.300 0.039 0.000 0.979 1441 V CB 1.541 33.524 31.823 0.266 0.000 1.039 1441 V HN 0.768 nan 8.190 nan 0.000 0.452 1442 H N 2.404 121.437 119.070 -0.060 0.000 2.667 1442 H HA 0.391 4.943 4.556 -0.005 0.000 0.353 1442 H C -1.020 174.057 175.328 -0.418 0.000 1.072 1442 H CA -0.438 55.494 56.048 -0.194 0.000 1.214 1442 H CB 2.279 31.921 29.762 -0.200 0.000 1.600 1442 H HN 0.897 nan 8.280 nan 0.000 0.527 1443 Q N 2.822 122.205 119.800 -0.695 0.000 2.288 1443 Q HA 0.045 4.381 4.340 -0.006 0.000 0.258 1443 Q C -0.448 175.382 176.000 -0.283 0.000 0.957 1443 Q CA -0.454 54.758 55.803 -0.984 0.000 0.919 1443 Q CB 0.507 28.467 28.738 -1.297 0.000 1.185 1443 Q HN 0.748 nan 8.270 nan 0.000 0.408 1444 Y N 3.008 123.326 120.300 0.029 0.000 2.444 1444 Y HA 0.399 4.946 4.550 -0.004 0.000 0.249 1444 Y C -0.988 175.032 175.900 0.200 0.000 1.134 1444 Y CA -1.082 57.109 58.100 0.152 0.000 1.261 1444 Y CB 0.359 38.977 38.460 0.263 0.000 1.143 1444 Y HN 0.427 nan 8.280 nan 0.000 0.523 1445 F N 3.008 122.957 119.950 -0.002 0.000 2.518 1445 F HA 0.466 4.991 4.527 -0.004 0.000 0.323 1445 F C -0.946 174.850 175.800 -0.006 0.000 1.129 1445 F CA -2.445 55.618 58.000 0.105 0.000 0.920 1445 F CB 1.197 40.275 39.000 0.131 0.000 1.160 1445 F HN 0.041 nan 8.300 nan 0.000 0.440 1446 N N 6.089 124.575 118.700 -0.357 0.000 2.408 1446 N HA 0.506 5.243 4.740 -0.006 0.000 0.257 1446 N C -1.501 173.589 175.510 -0.700 0.000 1.064 1446 N CA 0.130 52.935 53.050 -0.409 0.000 0.952 1446 N CB 1.048 39.437 38.487 -0.164 0.000 1.093 1446 N HN 0.518 nan 8.380 nan 0.000 0.490 1447 V N 0.740 120.352 119.914 -0.504 0.000 3.049 1447 V HA 0.532 4.648 4.120 -0.006 0.000 0.309 1447 V C -0.388 175.611 176.094 -0.158 0.000 1.148 1447 V CA -1.172 60.907 62.300 -0.369 0.000 0.990 1447 V CB 1.625 33.229 31.823 -0.366 0.000 1.039 1447 V HN 0.656 nan 8.190 nan 0.000 0.430 1448 E N 3.977 124.119 120.200 -0.098 0.000 2.313 1448 E HA 0.686 5.032 4.350 -0.006 0.000 0.272 1448 E C -0.375 176.218 176.600 -0.012 0.000 1.038 1448 E CA -0.847 55.529 56.400 -0.040 0.000 0.863 1448 E CB 1.531 31.215 29.700 -0.027 0.000 1.060 1448 E HN 0.822 nan 8.360 nan 0.000 0.402 1449 L N 2.232 123.464 121.223 0.014 0.000 3.523 1449 L HA -0.200 4.136 4.340 -0.006 0.000 0.668 1449 L C -0.309 176.593 176.870 0.053 0.000 1.211 1449 L CA 0.169 55.031 54.840 0.036 0.000 1.096 1449 L CB -1.537 40.536 42.059 0.023 0.000 1.617 1449 L HN 0.782 nan 8.230 nan 0.000 0.873 1450 I N 0.137 120.753 120.570 0.077 0.000 2.308 1450 I HA 0.343 4.509 4.170 -0.006 0.000 0.293 1450 I C 0.733 176.911 176.117 0.101 0.000 1.078 1450 I CA -0.148 61.193 61.300 0.069 0.000 1.292 1450 I CB 1.286 39.310 38.000 0.041 0.000 1.423 1450 I HN 0.498 nan 8.210 nan 0.000 0.493 1451 Q N 7.895 127.741 119.800 0.077 0.000 2.414 1451 Q HA 0.244 4.580 4.340 -0.006 0.000 0.288 1451 Q C -2.281 173.750 176.000 0.052 0.000 1.086 1451 Q CA -1.079 54.766 55.803 0.070 0.000 0.943 1451 Q CB 0.506 29.271 28.738 0.045 0.000 1.282 1451 Q HN 0.491 nan 8.270 nan 0.000 0.438 1452 P HA 0.160 nan 4.420 nan 0.000 0.280 1452 P C -0.644 176.541 177.300 -0.192 0.000 1.244 1452 P CA -0.129 62.953 63.100 -0.031 0.000 0.784 1452 P CB 1.143 32.865 31.700 0.036 0.000 0.913 1453 G N 1.849 110.295 108.800 -0.589 0.000 2.651 1453 G HA2 0.530 4.486 3.960 -0.006 0.000 0.260 1453 G HA3 0.530 4.486 3.960 -0.006 0.000 0.260 1453 G C -0.912 173.597 174.900 -0.653 0.000 1.216 1453 G CA -0.158 44.520 45.100 -0.704 0.000 0.913 1453 G HN 0.650 nan 8.290 nan 0.000 0.535 1454 A N -1.017 121.604 122.820 -0.330 0.000 2.574 1454 A HA 0.660 4.976 4.320 -0.006 0.000 0.297 1454 A C -1.000 176.532 177.584 -0.087 0.000 1.062 1454 A CA -0.456 51.420 52.037 -0.268 0.000 0.686 1454 A CB 1.657 20.293 19.000 -0.608 0.000 1.285 1454 A HN 1.097 nan 8.150 nan 0.000 0.403 1455 V N 1.095 120.966 119.914 -0.072 0.000 2.630 1455 V HA 0.706 4.822 4.120 -0.006 0.000 0.305 1455 V C 0.064 176.087 176.094 -0.118 0.000 1.046 1455 V CA -0.585 61.686 62.300 -0.048 0.000 0.934 1455 V CB 1.806 33.624 31.823 -0.009 0.000 1.003 1455 V HN 0.968 nan 8.190 nan 0.000 0.451 1456 K N 2.017 122.356 120.400 -0.101 0.000 2.469 1456 K HA 0.828 5.144 4.320 -0.006 0.000 0.254 1456 K C -1.405 175.105 176.600 -0.150 0.000 0.939 1456 K CA -0.570 55.665 56.287 -0.087 0.000 0.812 1456 K CB 2.349 34.839 32.500 -0.016 0.000 1.301 1456 K HN 0.629 nan 8.250 nan 0.000 0.433 1457 V N 0.017 119.825 119.914 -0.177 0.000 3.040 1457 V HA 0.858 4.974 4.120 -0.006 0.000 0.312 1457 V C -1.419 174.400 176.094 -0.458 0.000 1.115 1457 V CA -0.686 61.340 62.300 -0.456 0.000 0.998 1457 V CB 1.113 32.591 31.823 -0.574 0.000 1.042 1457 V HN 0.954 nan 8.190 nan 0.000 0.433 1458 Y N -0.541 119.307 120.300 -0.753 0.000 2.841 1458 Y HA 0.829 5.374 4.550 -0.007 0.000 0.373 1458 Y C -0.523 175.116 175.900 -0.435 0.000 1.170 1458 Y CA -0.915 56.790 58.100 -0.657 0.000 1.196 1458 Y CB 0.379 38.666 38.460 -0.289 0.000 1.433 1458 Y HN 1.188 nan 8.280 nan 0.000 0.479 1459 A N 1.414 124.198 122.820 -0.061 0.000 2.327 1459 A HA 0.448 4.765 4.320 -0.006 0.000 0.283 1459 A C 0.512 178.014 177.584 -0.137 0.000 1.127 1459 A CA -0.165 51.774 52.037 -0.164 0.000 0.810 1459 A CB -0.167 18.549 19.000 -0.473 0.000 1.066 1459 A HN 1.339 nan 8.150 nan 0.000 0.492 1460 Y N 2.197 122.478 120.300 -0.031 0.000 2.139 1460 Y HA -0.396 4.150 4.550 -0.006 0.000 0.282 1460 Y C 1.762 177.707 175.900 0.074 0.000 1.179 1460 Y CA 2.328 60.488 58.100 0.099 0.000 1.161 1460 Y CB -1.175 37.347 38.460 0.103 0.000 0.970 1460 Y HN 0.780 nan 8.280 nan 0.000 0.511 1461 Y N 0.609 120.246 120.300 -1.105 0.000 2.097 1461 Y HA -0.063 4.483 4.550 -0.006 0.000 0.282 1461 Y C 0.621 176.334 175.900 -0.312 0.000 1.152 1461 Y CA 0.851 58.401 58.100 -0.917 0.000 1.136 1461 Y CB -0.880 37.135 38.460 -0.742 0.000 0.975 1461 Y HN 0.208 nan 8.280 nan 0.000 0.498 1462 N N 0.297 118.772 118.700 -0.375 0.000 2.448 1462 N HA 0.165 4.902 4.740 -0.006 0.000 0.279 1462 N C -0.159 175.244 175.510 -0.179 0.000 1.025 1462 N CA -0.544 52.440 53.050 -0.109 0.000 0.898 1462 N CB 1.742 40.315 38.487 0.143 0.000 1.303 1462 N HN 0.372 nan 8.380 nan 0.000 0.495 1463 L N 3.778 124.877 121.223 -0.207 0.000 2.209 1463 L HA 0.251 4.588 4.340 -0.006 0.000 0.207 1463 L C 1.349 178.079 176.870 -0.234 0.000 1.094 1463 L CA 1.591 56.197 54.840 -0.389 0.000 0.790 1463 L CB 0.041 41.845 42.059 -0.425 0.000 0.932 1463 L HN 0.555 nan 8.230 nan 0.000 0.447 1464 E N 0.503 120.639 120.200 -0.107 0.000 2.268 1464 E HA -0.157 4.189 4.350 -0.006 0.000 0.195 1464 E C 0.329 176.934 176.600 0.008 0.000 0.995 1464 E CA 0.931 57.303 56.400 -0.046 0.000 0.836 1464 E CB -0.095 29.596 29.700 -0.015 0.000 0.763 1464 E HN 0.627 nan 8.360 nan 0.000 0.491 1465 E N 1.378 121.606 120.200 0.045 0.000 2.028 1465 E HA 0.146 4.492 4.350 -0.006 0.000 0.275 1465 E C -0.423 176.297 176.600 0.199 0.000 1.171 1465 E CA -0.261 56.222 56.400 0.139 0.000 1.186 1465 E CB 0.252 30.070 29.700 0.197 0.000 1.256 1465 E HN 0.003 nan 8.360 nan 0.000 0.474 1466 S N 0.926 116.701 115.700 0.126 0.000 2.739 1466 S HA 0.654 5.121 4.470 -0.006 0.000 0.306 1466 S C -0.413 174.269 174.600 0.137 0.000 1.115 1466 S CA -0.828 57.445 58.200 0.121 0.000 0.985 1466 S CB 2.029 65.256 63.200 0.045 0.000 1.133 1466 S HN 0.526 nan 8.310 nan 0.000 0.541 1467 c N 0.630 119.284 118.600 0.091 0.000 3.080 1467 c HA 0.906 5.473 4.570 -0.006 0.000 0.307 1467 c C -1.319 172.780 174.090 0.014 0.000 1.311 1467 c CA -0.028 56.351 56.329 0.083 0.000 1.533 1467 c CB 1.083 43.678 42.510 0.141 0.000 1.970 1467 c HN 1.058 nan 8.230 nan 0.000 0.467 1468 T N 3.578 118.131 114.554 -0.002 0.000 3.509 1468 T HA 0.365 4.711 4.350 -0.006 0.000 0.330 1468 T C -1.025 173.601 174.700 -0.123 0.000 0.851 1468 T CA -0.455 61.589 62.100 -0.093 0.000 1.057 1468 T CB 0.561 69.367 68.868 -0.103 0.000 1.023 1468 T HN 0.597 nan 8.240 nan 0.000 0.470 1469 R N 1.709 122.133 120.500 -0.126 0.000 2.338 1469 R HA 0.763 5.099 4.340 -0.006 0.000 0.317 1469 R C -0.844 175.395 176.300 -0.102 0.000 0.968 1469 R CA -1.376 54.705 56.100 -0.031 0.000 0.849 1469 R CB 0.205 30.530 30.300 0.041 0.000 1.128 1469 R HN 0.448 nan 8.270 nan 0.000 0.448 1470 F N 3.566 123.536 119.950 0.033 0.000 2.368 1470 F HA 0.413 4.937 4.527 -0.006 0.000 0.315 1470 F C 0.308 176.157 175.800 0.082 0.000 1.145 1470 F CA -0.143 57.854 58.000 -0.006 0.000 1.095 1470 F CB 0.526 39.495 39.000 -0.053 0.000 1.286 1470 F HN 0.462 nan 8.300 nan 0.000 0.530 1471 Y N -1.265 119.146 120.300 0.184 0.000 2.609 1471 Y HA 0.713 5.258 4.550 -0.007 0.000 0.336 1471 Y C -1.343 174.623 175.900 0.110 0.000 1.129 1471 Y CA -1.272 56.880 58.100 0.088 0.000 1.040 1471 Y CB 1.488 39.942 38.460 -0.010 0.000 1.310 1471 Y HN 0.746 nan 8.280 nan 0.000 0.460 1472 H N 1.627 120.789 119.070 0.153 0.000 3.057 1472 H HA 0.240 4.792 4.556 -0.006 0.000 0.308 1472 H C -2.874 172.472 175.328 0.031 0.000 1.276 1472 H CA -1.469 54.590 56.048 0.018 0.000 1.325 1472 H CB 2.670 32.403 29.762 -0.048 0.000 1.963 1472 H HN 0.498 nan 8.280 nan 0.000 0.524 1473 P HA -0.009 nan 4.420 nan 0.000 0.216 1473 P C 0.627 178.020 177.300 0.156 0.000 1.153 1473 P CA 1.379 64.453 63.100 -0.043 0.000 0.844 1473 P CB 0.743 32.344 31.700 -0.166 0.000 0.787 1474 E N -0.953 119.496 120.200 0.415 0.000 2.134 1474 E HA 0.068 4.414 4.350 -0.006 0.000 0.194 1474 E C 0.361 177.038 176.600 0.129 0.000 0.937 1474 E CA -0.021 56.526 56.400 0.243 0.000 0.874 1474 E CB -0.121 29.708 29.700 0.215 0.000 0.853 1474 E HN 0.006 nan 8.360 nan 0.000 0.471 1475 K N 2.347 122.716 120.400 -0.051 0.000 2.530 1475 K HA -0.113 4.203 4.320 -0.006 0.000 0.280 1475 K C 0.826 177.404 176.600 -0.036 0.000 1.004 1475 K CA 0.291 56.456 56.287 -0.204 0.000 1.071 1475 K CB 0.359 32.550 32.500 -0.514 0.000 0.876 1475 K HN 0.122 nan 8.250 nan 0.000 0.487 1476 E N 2.017 122.196 120.200 -0.035 0.000 2.021 1476 E HA -0.269 4.077 4.350 -0.006 0.000 0.200 1476 E C 0.280 176.893 176.600 0.022 0.000 1.015 1476 E CA 1.669 58.069 56.400 0.001 0.000 0.824 1476 E CB 0.189 29.884 29.700 -0.009 0.000 0.762 1476 E HN 0.532 nan 8.360 nan 0.000 0.454 1477 D N -1.906 118.496 120.400 0.004 0.000 2.424 1477 D HA 0.159 4.795 4.640 -0.006 0.000 0.220 1477 D C 0.419 176.757 176.300 0.063 0.000 1.150 1477 D CA 0.666 54.688 54.000 0.037 0.000 0.831 1477 D CB 0.752 41.564 40.800 0.021 0.000 0.981 1477 D HN 0.406 nan 8.370 nan 0.000 0.500 1478 G N 1.329 110.154 108.800 0.041 0.000 2.153 1478 G HA2 -0.319 3.637 3.960 -0.006 0.000 0.252 1478 G HA3 -0.319 3.637 3.960 -0.006 0.000 0.252 1478 G C 0.486 175.285 174.900 -0.167 0.000 0.994 1478 G CA 0.186 45.306 45.100 0.033 0.000 0.698 1478 G HN 0.179 nan 8.290 nan 0.000 0.521 1479 K N 0.549 120.836 120.400 -0.187 0.000 2.227 1479 K HA 0.646 4.962 4.320 -0.006 0.000 0.280 1479 K C 1.300 177.747 176.600 -0.255 0.000 1.041 1479 K CA -0.577 55.552 56.287 -0.264 0.000 0.905 1479 K CB 0.483 32.883 32.500 -0.167 0.000 1.068 1479 K HN 0.242 nan 8.250 nan 0.000 0.470 1480 L N 2.398 123.454 121.223 -0.278 0.000 2.473 1480 L HA 0.062 4.398 4.340 -0.006 0.000 0.265 1480 L C 0.204 176.974 176.870 -0.166 0.000 1.243 1480 L CA -0.051 54.661 54.840 -0.214 0.000 0.822 1480 L CB 0.238 42.184 42.059 -0.189 0.000 1.101 1480 L HN 0.618 nan 8.230 nan 0.000 0.507 1481 N N 1.661 120.278 118.700 -0.137 0.000 2.437 1481 N HA 0.221 4.958 4.740 -0.006 0.000 0.243 1481 N C -0.793 174.659 175.510 -0.097 0.000 1.041 1481 N CA -0.267 52.718 53.050 -0.109 0.000 0.940 1481 N CB 0.780 39.210 38.487 -0.096 0.000 1.133 1481 N HN 0.422 nan 8.380 nan 0.000 0.506 1482 K N 0.104 120.448 120.400 -0.094 0.000 2.352 1482 K HA 0.681 4.997 4.320 -0.006 0.000 0.240 1482 K C -1.098 175.446 176.600 -0.093 0.000 1.017 1482 K CA -1.083 55.150 56.287 -0.090 0.000 0.851 1482 K CB 1.676 34.126 32.500 -0.083 0.000 1.261 1482 K HN 0.059 nan 8.250 nan 0.000 0.451 1483 L N 1.600 122.761 121.223 -0.103 0.000 2.427 1483 L HA 0.380 4.716 4.340 -0.006 0.000 0.264 1483 L C -1.822 175.004 176.870 -0.072 0.000 0.989 1483 L CA -0.507 54.261 54.840 -0.120 0.000 0.865 1483 L CB 0.783 42.742 42.059 -0.168 0.000 1.209 1483 L HN 0.888 nan 8.230 nan 0.000 0.430 1484 c N 3.642 122.141 118.600 -0.169 0.000 2.340 1484 c HA 0.686 5.252 4.570 -0.006 0.000 0.323 1484 c C 0.199 174.128 174.090 -0.268 0.000 1.260 1484 c CA -1.031 55.245 56.329 -0.088 0.000 1.464 1484 c CB 1.202 43.652 42.510 -0.099 0.000 2.156 1484 c HN 0.803 nan 8.230 nan 0.000 0.476 1485 R N 2.367 122.841 120.500 -0.042 0.000 2.343 1485 R HA 0.379 4.716 4.340 -0.006 0.000 0.320 1485 R C 0.065 176.307 176.300 -0.097 0.000 0.956 1485 R CA 0.083 56.124 56.100 -0.099 0.000 0.836 1485 R CB 0.522 30.879 30.300 0.096 0.000 1.151 1485 R HN 0.970 nan 8.270 nan 0.000 0.450 1486 D N 2.273 122.625 120.400 -0.080 0.000 4.508 1486 D HA -0.311 4.326 4.640 -0.006 0.000 0.178 1486 D C 0.315 176.574 176.300 -0.068 0.000 0.644 1486 D CA 2.187 56.149 54.000 -0.064 0.000 1.244 1486 D CB -0.226 40.534 40.800 -0.067 0.000 0.727 1486 D HN 0.735 nan 8.370 nan 0.000 0.495 1487 E N -0.302 119.851 120.200 -0.078 0.000 2.514 1487 E HA 0.197 4.544 4.350 -0.006 0.000 0.215 1487 E C 0.181 176.750 176.600 -0.052 0.000 0.946 1487 E CA -0.246 56.118 56.400 -0.059 0.000 1.038 1487 E CB 0.841 30.508 29.700 -0.055 0.000 1.069 1487 E HN 0.091 nan 8.360 nan 0.000 0.503 1488 L N 1.151 122.327 121.223 -0.079 0.000 2.275 1488 L HA 0.302 4.638 4.340 -0.006 0.000 0.288 1488 L C -0.953 175.997 176.870 0.133 0.000 1.046 1488 L CA -0.247 54.568 54.840 -0.041 0.000 0.805 1488 L CB 1.029 42.943 42.059 -0.243 0.000 1.193 1488 L HN -0.019 nan 8.230 nan 0.000 0.426 1489 c N 5.171 123.873 118.600 0.170 0.000 2.529 1489 c HA 0.898 5.464 4.570 -0.006 0.000 0.329 1489 c C -0.237 173.975 174.090 0.204 0.000 1.194 1489 c CA -0.690 55.749 56.329 0.183 0.000 1.779 1489 c CB 1.655 44.196 42.510 0.052 0.000 2.322 1489 c HN 0.978 nan 8.230 nan 0.000 0.500 1490 R N 1.555 122.101 120.500 0.077 0.000 2.707 1490 R HA 0.655 4.991 4.340 -0.006 0.000 0.272 1490 R C -1.322 174.920 176.300 -0.097 0.000 1.011 1490 R CA -0.408 55.673 56.100 -0.031 0.000 0.893 1490 R CB 0.516 30.712 30.300 -0.173 0.000 1.233 1490 R HN 0.660 nan 8.270 nan 0.000 0.464 1491 C N 1.702 120.954 119.300 -0.079 0.000 2.593 1491 C HA 0.691 5.147 4.460 -0.006 0.000 0.409 1491 C C 0.613 175.546 174.990 -0.095 0.000 1.304 1491 C CA 0.548 59.521 59.018 -0.075 0.000 2.007 1491 C CB 0.127 27.837 27.740 -0.050 0.000 2.614 1491 C HN 0.801 nan 8.230 nan 0.000 0.585 1492 A N 4.550 127.317 122.820 -0.089 0.000 3.234 1492 A HA 0.346 4.663 4.320 -0.006 0.000 0.247 1492 A C 0.480 178.019 177.584 -0.074 0.000 0.938 1492 A CA -0.002 51.983 52.037 -0.086 0.000 1.039 1492 A CB -0.086 18.858 19.000 -0.094 0.000 1.197 1492 A HN 0.837 nan 8.150 nan 0.000 0.498 1493 E N 1.107 121.267 120.200 -0.067 0.000 2.451 1493 E HA 0.043 4.389 4.350 -0.006 0.000 0.194 1493 E C 0.514 177.085 176.600 -0.048 0.000 1.027 1493 E CA 0.108 56.470 56.400 -0.063 0.000 0.914 1493 E CB 0.346 30.008 29.700 -0.065 0.000 1.054 1493 E HN 0.929 nan 8.360 nan 0.000 0.461 1494 E N 0.008 120.181 120.200 -0.045 0.000 3.218 1494 E HA 0.180 4.526 4.350 -0.006 0.000 0.265 1494 E C -0.000 176.578 176.600 -0.035 0.000 1.393 1494 E CA -0.723 55.656 56.400 -0.035 0.000 1.160 1494 E CB 0.263 29.944 29.700 -0.032 0.000 1.272 1494 E HN -0.190 nan 8.360 nan 0.000 0.720 1495 N N -0.663 118.018 118.700 -0.031 0.000 2.493 1495 N HA 0.177 4.914 4.740 -0.006 0.000 0.275 1495 N C -0.361 175.123 175.510 -0.043 0.000 1.186 1495 N CA -0.590 52.439 53.050 -0.035 0.000 0.978 1495 N CB 0.778 39.247 38.487 -0.030 0.000 1.184 1495 N HN 0.421 nan 8.380 nan 0.000 0.487 1496 c N 0.184 118.753 118.600 -0.051 0.000 2.713 1496 c HA 0.345 4.911 4.570 -0.006 0.000 0.330 1496 c C 1.533 175.574 174.090 -0.082 0.000 1.416 1496 c CA -0.692 55.600 56.329 -0.062 0.000 2.351 1496 c CB -1.007 41.462 42.510 -0.067 0.000 2.388 1496 c HN 0.533 nan 8.230 nan 0.000 0.729 1497 F N 1.321 121.206 119.950 -0.108 0.000 2.595 1497 F HA 0.564 5.087 4.527 -0.006 0.000 0.359 1497 F C 0.222 175.901 175.800 -0.202 0.000 1.147 1497 F CA 0.225 58.133 58.000 -0.154 0.000 1.341 1497 F CB -0.507 38.369 39.000 -0.207 0.000 1.104 1497 F HN 0.569 nan 8.300 nan 0.000 0.603 1505 V N 2.596 122.553 119.914 0.072 0.000 2.370 1505 V HA 0.464 4.580 4.120 -0.006 0.000 0.279 1505 V C 0.115 176.223 176.094 0.024 0.000 1.029 1505 V CA -0.160 62.190 62.300 0.084 0.000 0.870 1505 V CB 0.914 32.823 31.823 0.143 0.000 0.984 1505 V HN 0.409 nan 8.190 nan 0.000 0.451 1506 T N 1.592 116.145 114.554 -0.003 0.000 2.893 1506 T HA 0.475 4.821 4.350 -0.006 0.000 0.291 1506 T C 0.856 175.525 174.700 -0.051 0.000 1.028 1506 T CA -0.680 61.405 62.100 -0.024 0.000 0.995 1506 T CB 1.789 70.647 68.868 -0.016 0.000 1.051 1506 T HN 0.357 nan 8.240 nan 0.000 0.470 1507 L N 0.548 121.745 121.223 -0.043 0.000 2.211 1507 L HA -0.213 4.123 4.340 -0.006 0.000 0.216 1507 L C 2.151 179.005 176.870 -0.027 0.000 1.092 1507 L CA 1.929 56.752 54.840 -0.028 0.000 0.767 1507 L CB -0.260 41.800 42.059 0.001 0.000 0.894 1507 L HN 0.817 nan 8.230 nan 0.000 0.437 1508 E N -0.395 119.782 120.200 -0.038 0.000 2.072 1508 E HA -0.168 4.178 4.350 -0.006 0.000 0.190 1508 E C 1.976 178.540 176.600 -0.060 0.000 0.982 1508 E CA 0.806 57.180 56.400 -0.043 0.000 0.803 1508 E CB -0.026 29.653 29.700 -0.036 0.000 0.755 1508 E HN 0.330 nan 8.360 nan 0.000 0.453 1509 E N 0.345 120.507 120.200 -0.065 0.000 2.401 1509 E HA -0.122 4.224 4.350 -0.006 0.000 0.199 1509 E C 1.579 178.080 176.600 -0.165 0.000 1.023 1509 E CA 0.706 57.059 56.400 -0.078 0.000 0.859 1509 E CB 0.023 29.702 29.700 -0.036 0.000 0.780 1509 E HN 0.248 nan 8.360 nan 0.000 0.523 1510 R N -0.582 119.793 120.500 -0.208 0.000 2.167 1510 R HA 0.251 4.587 4.340 -0.006 0.000 0.201 1510 R C 2.239 178.416 176.300 -0.205 0.000 1.024 1510 R CA -0.071 55.800 56.100 -0.382 0.000 1.053 1510 R CB 0.045 29.979 30.300 -0.610 0.000 0.987 1510 R HN 0.068 nan 8.270 nan 0.000 0.493 1511 L N 1.054 122.254 121.223 -0.039 0.000 2.633 1511 L HA -0.126 4.210 4.340 -0.006 0.000 0.235 1511 L C 0.726 177.545 176.870 -0.085 0.000 1.163 1511 L CA 0.907 55.735 54.840 -0.020 0.000 0.859 1511 L CB -0.138 41.905 42.059 -0.027 0.000 0.973 1511 L HN 0.188 nan 8.230 nan 0.000 0.451 1512 D N -0.393 119.943 120.400 -0.107 0.000 2.634 1512 D HA -0.053 4.583 4.640 -0.006 0.000 0.262 1512 D C 1.844 178.077 176.300 -0.111 0.000 1.354 1512 D CA 0.484 54.429 54.000 -0.091 0.000 1.028 1512 D CB 0.179 40.941 40.800 -0.063 0.000 1.061 1512 D HN -0.127 nan 8.370 nan 0.000 0.387 1513 K N 0.244 120.578 120.400 -0.109 0.000 2.293 1513 K HA -0.096 4.221 4.320 -0.006 0.000 0.204 1513 K C 0.939 177.476 176.600 -0.105 0.000 1.045 1513 K CA 1.096 57.355 56.287 -0.048 0.000 0.933 1513 K CB -0.076 32.422 32.500 -0.003 0.000 0.736 1513 K HN 0.070 nan 8.250 nan 0.000 0.463 1514 A N -0.303 122.295 122.820 -0.370 0.000 2.640 1514 A HA 0.140 4.456 4.320 -0.006 0.000 0.282 1514 A C 0.733 178.098 177.584 -0.365 0.000 1.357 1514 A CA -0.229 51.390 52.037 -0.696 0.000 0.946 1514 A CB -0.129 18.164 19.000 -1.178 0.000 1.065 1514 A HN 0.346 nan 8.150 nan 0.000 0.541 1515 c N -0.455 118.029 118.600 -0.194 0.000 3.865 1515 c HA 0.190 4.756 4.570 -0.006 0.000 0.297 1515 c C 0.851 174.902 174.090 -0.064 0.000 1.758 1515 c CA -0.716 55.539 56.329 -0.123 0.000 1.778 1515 c CB -0.933 41.514 42.510 -0.105 0.000 3.158 1515 c HN 0.694 nan 8.230 nan 0.000 0.598 1516 E N 2.746 122.920 120.200 -0.043 0.000 2.494 1516 E HA -0.024 4.322 4.350 -0.006 0.000 0.262 1516 E C -1.190 175.413 176.600 0.005 0.000 1.294 1516 E CA -0.483 55.916 56.400 -0.002 0.000 1.062 1516 E CB 0.339 30.057 29.700 0.031 0.000 0.982 1516 E HN 0.200 nan 8.360 nan 0.000 0.495 1517 P HA -0.160 nan 4.420 nan 0.000 0.215 1517 P C 1.413 178.736 177.300 0.038 0.000 1.157 1517 P CA 1.601 64.717 63.100 0.026 0.000 0.863 1517 P CB -0.223 31.495 31.700 0.030 0.000 0.787 1518 G N 0.905 109.735 108.800 0.050 0.000 2.476 1518 G HA2 -0.187 3.769 3.960 -0.006 0.000 0.218 1518 G HA3 -0.187 3.769 3.960 -0.006 0.000 0.218 1518 G C 0.665 175.597 174.900 0.055 0.000 1.164 1518 G CA 0.466 45.604 45.100 0.065 0.000 0.768 1518 G HN 0.225 nan 8.290 nan 0.000 0.560 1519 V N 1.426 121.365 119.914 0.041 0.000 2.681 1519 V HA 0.075 4.191 4.120 -0.006 0.000 0.306 1519 V C 0.983 177.072 176.094 -0.009 0.000 1.077 1519 V CA 1.558 63.856 62.300 -0.004 0.000 1.224 1519 V CB 1.215 33.009 31.823 -0.049 0.000 0.879 1519 V HN 0.510 nan 8.190 nan 0.000 0.494 1520 D N 2.295 122.676 120.400 -0.031 0.000 2.215 1520 D HA 0.036 4.672 4.640 -0.006 0.000 0.436 1520 D C -0.563 175.845 176.300 0.181 0.000 1.007 1520 D CA 0.040 54.105 54.000 0.107 0.000 0.958 1520 D CB 0.844 41.782 40.800 0.230 0.000 1.469 1520 D HN 0.622 nan 8.370 nan 0.000 0.496 1521 Y N 0.040 120.381 120.300 0.067 0.000 2.386 1521 Y HA 0.675 5.221 4.550 -0.006 0.000 0.334 1521 Y C -1.535 174.167 175.900 -0.331 0.000 1.002 1521 Y CA -1.209 56.753 58.100 -0.231 0.000 1.068 1521 Y CB 1.313 39.609 38.460 -0.274 0.000 1.203 1521 Y HN -0.301 nan 8.280 nan 0.000 0.443 1522 V N 5.737 125.486 119.914 -0.275 0.000 2.407 1522 V HA 0.456 4.572 4.120 -0.006 0.000 0.291 1522 V C -1.273 174.856 176.094 0.058 0.000 1.018 1522 V CA -0.720 61.572 62.300 -0.013 0.000 0.842 1522 V CB 0.601 32.463 31.823 0.064 0.000 0.996 1522 V HN 0.717 nan 8.190 nan 0.000 0.426 1523 Y N 2.343 122.880 120.300 0.394 0.000 2.499 1523 Y HA 0.567 5.113 4.550 -0.006 0.000 0.347 1523 Y C 0.088 176.143 175.900 0.258 0.000 0.987 1523 Y CA -1.883 56.378 58.100 0.270 0.000 1.044 1523 Y CB 2.091 40.665 38.460 0.190 0.000 1.245 1523 Y HN 0.487 nan 8.280 nan 0.000 0.461 1524 K N 2.398 122.987 120.400 0.315 0.000 2.464 1524 K HA 0.486 4.803 4.320 -0.006 0.000 0.252 1524 K C -1.140 175.458 176.600 -0.003 0.000 1.000 1524 K CA -0.274 56.069 56.287 0.093 0.000 0.951 1524 K CB 0.441 32.801 32.500 -0.234 0.000 1.183 1524 K HN 0.866 nan 8.250 nan 0.000 0.445 1525 T N 0.695 115.271 114.554 0.036 0.000 2.887 1525 T HA 0.440 4.786 4.350 -0.006 0.000 0.288 1525 T C -0.430 174.239 174.700 -0.052 0.000 1.021 1525 T CA -0.999 61.083 62.100 -0.030 0.000 1.000 1525 T CB 1.840 70.661 68.868 -0.078 0.000 1.034 1525 T HN 0.541 nan 8.240 nan 0.000 0.467 1526 R N 1.287 121.705 120.500 -0.135 0.000 2.428 1526 R HA 0.590 4.926 4.340 -0.006 0.000 0.294 1526 R C -1.137 175.066 176.300 -0.161 0.000 1.000 1526 R CA -1.002 54.916 56.100 -0.303 0.000 0.960 1526 R CB 0.993 31.010 30.300 -0.472 0.000 1.076 1526 R HN 0.604 nan 8.270 nan 0.000 0.475 1527 L N 5.710 126.859 121.223 -0.123 0.000 2.255 1527 L HA 0.208 4.545 4.340 -0.006 0.000 0.289 1527 L C 0.156 177.002 176.870 -0.040 0.000 1.046 1527 L CA 0.130 54.951 54.840 -0.032 0.000 0.816 1527 L CB 1.503 43.606 42.059 0.075 0.000 1.197 1527 L HN 0.577 nan 8.230 nan 0.000 0.427 1528 V N 3.327 123.227 119.914 -0.024 0.000 2.261 1528 V HA 0.075 4.191 4.120 -0.006 0.000 0.235 1528 V C 0.899 177.000 176.094 0.011 0.000 1.044 1528 V CA 0.674 62.965 62.300 -0.015 0.000 1.007 1528 V CB -0.534 31.283 31.823 -0.010 0.000 0.647 1528 V HN 0.703 nan 8.190 nan 0.000 0.462 1529 K N 0.509 120.927 120.400 0.031 0.000 2.213 1529 K HA 0.513 4.830 4.320 -0.006 0.000 0.270 1529 K C -1.378 175.269 176.600 0.078 0.000 1.002 1529 K CA -0.288 56.021 56.287 0.036 0.000 0.868 1529 K CB 1.753 34.265 32.500 0.019 0.000 1.093 1529 K HN 0.123 nan 8.250 nan 0.000 0.454 1530 V N 5.828 125.789 119.914 0.078 0.000 2.259 1530 V HA 0.154 4.270 4.120 -0.006 0.000 0.267 1530 V C -0.196 175.908 176.094 0.017 0.000 1.051 1530 V CA -0.600 61.776 62.300 0.127 0.000 0.830 1530 V CB 0.792 32.710 31.823 0.158 0.000 1.080 1530 V HN 0.807 nan 8.190 nan 0.000 0.467 1531 Q N 3.327 123.082 119.800 -0.075 0.000 2.199 1531 Q HA 0.788 5.125 4.340 -0.006 0.000 0.232 1531 Q C -0.773 175.111 176.000 -0.193 0.000 0.969 1531 Q CA -0.596 55.131 55.803 -0.126 0.000 0.925 1531 Q CB 2.465 31.113 28.738 -0.151 0.000 1.198 1531 Q HN 0.516 nan 8.270 nan 0.000 0.494 1532 L N -0.644 120.483 121.223 -0.159 0.000 2.671 1532 L HA 0.550 4.887 4.340 -0.006 0.000 0.259 1532 L C -1.418 175.380 176.870 -0.120 0.000 1.021 1532 L CA -0.335 54.411 54.840 -0.157 0.000 0.871 1532 L CB 2.715 44.721 42.059 -0.087 0.000 1.472 1532 L HN 0.675 nan 8.230 nan 0.000 0.410 1533 S N 0.136 115.781 115.700 -0.092 0.000 2.671 1533 S HA 0.316 4.782 4.470 -0.006 0.000 0.277 1533 S C 0.016 174.628 174.600 0.020 0.000 1.165 1533 S CA -0.615 57.572 58.200 -0.021 0.000 0.822 1533 S CB 1.695 64.903 63.200 0.012 0.000 1.150 1533 S HN 0.705 nan 8.310 nan 0.000 0.479 1534 N N 1.161 119.887 118.700 0.044 0.000 2.396 1534 N HA -0.076 4.660 4.740 -0.006 0.000 0.180 1534 N C 0.689 176.235 175.510 0.061 0.000 1.028 1534 N CA 1.575 54.649 53.050 0.040 0.000 0.893 1534 N CB -0.121 38.385 38.487 0.032 0.000 0.967 1534 N HN 0.659 nan 8.380 nan 0.000 0.440 1535 D N -0.999 119.472 120.400 0.119 0.000 2.584 1535 D HA 0.049 4.686 4.640 -0.006 0.000 0.254 1535 D C 0.326 176.772 176.300 0.243 0.000 1.085 1535 D CA 0.381 54.468 54.000 0.144 0.000 0.971 1535 D CB -0.485 40.386 40.800 0.119 0.000 1.103 1535 D HN 0.338 nan 8.370 nan 0.000 0.453 1536 F N 0.670 120.602 119.950 -0.031 0.000 2.579 1536 F HA 0.516 5.039 4.527 -0.006 0.000 0.325 1536 F C -1.575 174.180 175.800 -0.075 0.000 1.162 1536 F CA -1.683 56.290 58.000 -0.044 0.000 0.946 1536 F CB 1.470 40.456 39.000 -0.023 0.000 1.211 1536 F HN -0.253 nan 8.300 nan 0.000 0.447 1537 D N 2.365 122.649 120.400 -0.193 0.000 2.304 1537 D HA 0.353 4.989 4.640 -0.006 0.000 0.247 1537 D C -0.540 175.412 176.300 -0.580 0.000 1.089 1537 D CA -0.336 53.427 54.000 -0.395 0.000 0.910 1537 D CB 1.503 42.122 40.800 -0.301 0.000 1.199 1537 D HN 0.845 nan 8.370 nan 0.000 0.426 1538 E N -0.289 119.491 120.200 -0.701 0.000 2.412 1538 E HA 0.639 4.985 4.350 -0.006 0.000 0.255 1538 E C -1.085 174.987 176.600 -0.880 0.000 0.933 1538 E CA -1.140 54.881 56.400 -0.631 0.000 0.823 1538 E CB 1.232 30.704 29.700 -0.381 0.000 1.352 1538 E HN 0.443 nan 8.360 nan 0.000 0.406 1539 Y N -0.506 119.796 120.300 0.003 0.000 2.348 1539 Y HA 0.317 4.863 4.550 -0.006 0.000 0.321 1539 Y C -0.774 175.149 175.900 0.038 0.000 1.163 1539 Y CA -0.776 57.323 58.100 -0.001 0.000 1.070 1539 Y CB 1.471 39.909 38.460 -0.036 0.000 1.250 1539 Y HN 0.394 nan 8.280 nan 0.000 0.425 1540 I N 4.705 125.366 120.570 0.151 0.000 2.257 1540 I HA 0.286 4.453 4.170 -0.006 0.000 0.290 1540 I C -0.399 175.754 176.117 0.059 0.000 1.137 1540 I CA 0.033 61.395 61.300 0.105 0.000 1.255 1540 I CB -0.143 37.893 38.000 0.060 0.000 1.485 1540 I HN 0.461 nan 8.210 nan 0.000 0.534 1541 M N 3.939 123.554 119.600 0.026 0.000 2.188 1541 M HA 0.513 4.989 4.480 -0.006 0.000 0.357 1541 M C 0.273 176.542 176.300 -0.051 0.000 1.204 1541 M CA -0.231 55.028 55.300 -0.067 0.000 1.095 1541 M CB 1.652 34.117 32.600 -0.226 0.000 1.604 1541 M HN 0.503 nan 8.290 nan 0.000 0.464 1542 A N 4.599 127.383 122.820 -0.059 0.000 2.304 1542 A HA 0.710 5.026 4.320 -0.006 0.000 0.301 1542 A C -0.219 177.310 177.584 -0.093 0.000 1.132 1542 A CA -0.729 51.273 52.037 -0.057 0.000 0.819 1542 A CB 0.335 19.309 19.000 -0.043 0.000 1.094 1542 A HN 0.895 nan 8.150 nan 0.000 0.492 1543 I N 1.768 122.271 120.570 -0.111 0.000 2.337 1543 I HA 0.168 4.334 4.170 -0.006 0.000 0.291 1543 I C 0.745 176.809 176.117 -0.087 0.000 1.046 1543 I CA 0.020 61.230 61.300 -0.150 0.000 1.324 1543 I CB 0.862 38.697 38.000 -0.275 0.000 1.409 1543 I HN 0.848 nan 8.210 nan 0.000 0.494 1544 E N 4.900 125.060 120.200 -0.067 0.000 2.318 1544 E HA -0.052 4.294 4.350 -0.006 0.000 0.193 1544 E C -0.025 176.550 176.600 -0.041 0.000 0.998 1544 E CA 0.462 56.831 56.400 -0.052 0.000 0.859 1544 E CB 0.328 29.994 29.700 -0.057 0.000 0.812 1544 E HN 0.730 nan 8.360 nan 0.000 0.492 1545 Q N 0.007 119.799 119.800 -0.013 0.000 2.364 1545 Q HA 0.166 4.502 4.340 -0.006 0.000 0.251 1545 Q C -1.027 175.052 176.000 0.132 0.000 0.927 1545 Q CA -0.623 55.203 55.803 0.037 0.000 0.924 1545 Q CB 0.742 29.493 28.738 0.023 0.000 1.419 1545 Q HN -0.107 nan 8.270 nan 0.000 0.427 1546 T N 1.324 115.965 114.554 0.145 0.000 3.182 1546 T HA 0.290 4.636 4.350 -0.006 0.000 0.274 1546 T C 1.070 175.920 174.700 0.251 0.000 0.997 1546 T CA -0.362 61.904 62.100 0.277 0.000 1.082 1546 T CB -0.459 68.545 68.868 0.227 0.000 1.005 1546 T HN 0.662 nan 8.240 nan 0.000 0.688 1547 I N 0.612 121.352 120.570 0.283 0.000 2.142 1547 I HA -0.001 4.165 4.170 -0.006 0.000 0.240 1547 I C 1.581 177.762 176.117 0.106 0.000 1.078 1547 I CA 1.144 62.546 61.300 0.169 0.000 1.343 1547 I CB -0.028 38.086 38.000 0.190 0.000 1.046 1547 I HN 0.461 nan 8.210 nan 0.000 0.405 1548 K N 1.064 121.536 120.400 0.119 0.000 2.579 1548 K HA 0.320 4.636 4.320 -0.006 0.000 0.250 1548 K C -0.882 175.811 176.600 0.154 0.000 0.952 1548 K CA -0.264 56.073 56.287 0.084 0.000 0.857 1548 K CB 1.710 34.215 32.500 0.009 0.000 1.123 1548 K HN -0.069 nan 8.250 nan 0.000 0.433 1549 S N 1.043 116.855 115.700 0.188 0.000 2.579 1549 S HA 0.400 4.866 4.470 -0.006 0.000 0.275 1549 S C 0.331 175.073 174.600 0.237 0.000 1.345 1549 S CA -0.216 58.138 58.200 0.257 0.000 1.031 1549 S CB 1.235 64.554 63.200 0.198 0.000 0.892 1549 S HN 0.768 nan 8.310 nan 0.000 0.529 1550 G N 0.291 109.283 108.800 0.320 0.000 3.251 1550 G HA2 0.394 4.350 3.960 -0.006 0.000 0.248 1550 G HA3 0.394 4.350 3.960 -0.006 0.000 0.248 1550 G C 0.378 175.394 174.900 0.194 0.000 1.320 1550 G CA -0.631 44.647 45.100 0.297 0.000 0.982 1550 G HN 0.579 nan 8.290 nan 0.000 0.575 1551 S N -0.453 115.301 115.700 0.089 0.000 2.584 1551 S HA -0.004 4.462 4.470 -0.006 0.000 0.240 1551 S C 0.264 174.798 174.600 -0.110 0.000 0.975 1551 S CA 0.791 58.943 58.200 -0.080 0.000 0.949 1551 S CB -0.159 62.892 63.200 -0.248 0.000 0.761 1551 S HN 0.545 nan 8.310 nan 0.000 0.536 1552 D N 2.129 122.576 120.400 0.079 0.000 2.373 1552 D HA 0.134 4.770 4.640 -0.006 0.000 0.227 1552 D C -0.437 175.976 176.300 0.189 0.000 1.091 1552 D CA -0.396 53.709 54.000 0.176 0.000 0.840 1552 D CB 0.588 41.687 40.800 0.498 0.000 1.060 1552 D HN -0.132 nan 8.370 nan 0.000 0.502 1553 E N 3.092 123.359 120.200 0.112 0.000 1.972 1553 E HA 0.113 4.459 4.350 -0.006 0.000 0.292 1553 E C -0.640 176.022 176.600 0.104 0.000 1.193 1553 E CA -0.151 56.308 56.400 0.098 0.000 1.228 1553 E CB 0.673 30.408 29.700 0.058 0.000 1.167 1553 E HN 0.153 nan 8.360 nan 0.000 0.479 1554 V N 2.832 122.827 119.914 0.136 0.000 2.357 1554 V HA 0.149 4.265 4.120 -0.006 0.000 0.284 1554 V C -0.255 175.883 176.094 0.072 0.000 1.018 1554 V CA -0.679 61.682 62.300 0.101 0.000 0.841 1554 V CB 1.766 33.656 31.823 0.110 0.000 0.991 1554 V HN 0.387 nan 8.190 nan 0.000 0.437 1555 Q N 3.433 123.261 119.800 0.047 0.000 2.354 1555 Q HA 0.448 4.784 4.340 -0.006 0.000 0.244 1555 Q C -0.311 175.698 176.000 0.014 0.000 0.969 1555 Q CA -0.135 55.689 55.803 0.035 0.000 0.885 1555 Q CB 1.616 30.371 28.738 0.028 0.000 1.241 1555 Q HN 0.714 nan 8.270 nan 0.000 0.461 1556 V N 2.308 122.231 119.914 0.014 0.000 2.681 1556 V HA 0.147 4.264 4.120 -0.006 0.000 0.306 1556 V C 1.491 177.579 176.094 -0.011 0.000 1.077 1556 V CA 1.578 63.876 62.300 -0.002 0.000 1.224 1556 V CB -0.413 31.413 31.823 0.006 0.000 0.879 1556 V HN 1.067 nan 8.190 nan 0.000 0.494 1557 G N 2.595 111.379 108.800 -0.026 0.000 2.345 1557 G HA2 -0.216 3.740 3.960 -0.006 0.000 0.218 1557 G HA3 -0.216 3.740 3.960 -0.006 0.000 0.218 1557 G C 0.262 175.150 174.900 -0.020 0.000 1.058 1557 G CA 0.202 45.288 45.100 -0.022 0.000 0.632 1557 G HN 0.697 nan 8.290 nan 0.000 0.508 1558 Q N 0.796 120.587 119.800 -0.014 0.000 2.479 1558 Q HA 0.355 4.691 4.340 -0.006 0.000 0.267 1558 Q C 0.255 176.252 176.000 -0.004 0.000 1.071 1558 Q CA 0.559 56.361 55.803 -0.001 0.000 0.935 1558 Q CB 0.277 29.024 28.738 0.014 0.000 1.295 1558 Q HN 0.578 nan 8.270 nan 0.000 0.476 1559 Q N 1.293 121.104 119.800 0.018 0.000 2.271 1559 Q HA 0.368 4.704 4.340 -0.006 0.000 0.258 1559 Q C -0.741 175.308 176.000 0.082 0.000 0.936 1559 Q CA -0.460 55.362 55.803 0.033 0.000 0.909 1559 Q CB 1.306 30.063 28.738 0.031 0.000 1.253 1559 Q HN 0.254 nan 8.270 nan 0.000 0.440 1560 R N 1.325 121.903 120.500 0.129 0.000 2.621 1560 R HA 0.421 4.757 4.340 -0.006 0.000 0.292 1560 R C -0.969 175.551 176.300 0.366 0.000 0.969 1560 R CA -0.602 55.659 56.100 0.269 0.000 0.887 1560 R CB 2.009 32.556 30.300 0.411 0.000 1.180 1560 R HN 0.559 nan 8.270 nan 0.000 0.450 1561 T N 2.402 117.161 114.554 0.343 0.000 2.781 1561 T HA 0.425 4.771 4.350 -0.006 0.000 0.305 1561 T C -0.122 174.813 174.700 0.392 0.000 1.001 1561 T CA -0.399 61.887 62.100 0.310 0.000 0.950 1561 T CB 0.026 68.992 68.868 0.163 0.000 0.955 1561 T HN 0.159 nan 8.240 nan 0.000 0.471 1562 F N 2.519 122.568 119.950 0.164 0.000 2.403 1562 F HA 0.679 5.202 4.527 -0.006 0.000 0.326 1562 F C 0.568 176.435 175.800 0.113 0.000 1.081 1562 F CA -1.710 56.394 58.000 0.174 0.000 1.041 1562 F CB 0.895 39.994 39.000 0.166 0.000 1.234 1562 F HN 0.389 nan 8.300 nan 0.000 0.503 1563 I N 0.386 121.085 120.570 0.215 0.000 2.865 1563 I HA 0.587 4.753 4.170 -0.006 0.000 0.302 1563 I C -0.664 175.511 176.117 0.098 0.000 1.140 1563 I CA -0.803 60.552 61.300 0.092 0.000 1.021 1563 I CB 2.208 40.272 38.000 0.107 0.000 1.233 1563 I HN 0.432 nan 8.210 nan 0.000 0.427 1564 S N 3.223 118.954 115.700 0.052 0.000 2.556 1564 S HA 0.647 5.113 4.470 -0.006 0.000 0.271 1564 S C -2.924 171.707 174.600 0.051 0.000 1.135 1564 S CA -1.245 56.994 58.200 0.066 0.000 0.858 1564 S CB 2.362 65.641 63.200 0.131 0.000 1.114 1564 S HN 0.271 nan 8.310 nan 0.000 0.468 1565 P HA 0.270 nan 4.420 nan 0.000 0.271 1565 P C 0.683 177.998 177.300 0.025 0.000 1.216 1565 P CA -0.219 62.901 63.100 0.033 0.000 0.776 1565 P CB 0.305 32.004 31.700 -0.003 0.000 0.881 1566 I N 2.187 122.774 120.570 0.029 0.000 3.010 1566 I HA -0.204 3.962 4.170 -0.006 0.000 0.271 1566 I C 1.035 177.155 176.117 0.005 0.000 1.293 1566 I CA 1.236 62.545 61.300 0.016 0.000 1.452 1566 I CB -0.004 38.008 38.000 0.021 0.000 1.082 1566 I HN 0.296 nan 8.210 nan 0.000 0.484 1567 K N -0.680 119.719 120.400 -0.002 0.000 2.404 1567 K HA 0.132 4.449 4.320 -0.006 0.000 0.194 1567 K C 0.936 177.529 176.600 -0.012 0.000 1.023 1567 K CA 0.055 56.335 56.287 -0.012 0.000 1.094 1567 K CB 0.230 32.715 32.500 -0.025 0.000 0.841 1567 K HN 0.340 nan 8.250 nan 0.000 0.523 1568 c N 1.297 119.895 118.600 -0.004 0.000 2.760 1568 c HA 0.260 4.826 4.570 -0.006 0.000 0.293 1568 c C 1.794 175.883 174.090 -0.002 0.000 1.383 1568 c CA -0.672 55.652 56.329 -0.008 0.000 1.771 1568 c CB -0.717 41.790 42.510 -0.006 0.000 2.353 1568 c HN 0.371 nan 8.230 nan 0.000 0.578 1569 R N 1.370 121.873 120.500 0.004 0.000 2.159 1569 R HA -0.171 4.165 4.340 -0.006 0.000 0.237 1569 R C 1.900 178.194 176.300 -0.010 0.000 1.131 1569 R CA 1.208 57.313 56.100 0.010 0.000 0.982 1569 R CB -0.142 30.163 30.300 0.008 0.000 0.868 1569 R HN 0.704 nan 8.270 nan 0.000 0.453 1570 E N 0.419 120.607 120.200 -0.021 0.000 2.122 1570 E HA -0.017 4.329 4.350 -0.006 0.000 0.190 1570 E C 1.914 178.485 176.600 -0.049 0.000 0.977 1570 E CA 0.620 57.001 56.400 -0.032 0.000 0.820 1570 E CB 0.053 29.736 29.700 -0.029 0.000 0.770 1570 E HN 0.245 nan 8.360 nan 0.000 0.462 1571 A N 1.028 123.814 122.820 -0.056 0.000 1.917 1571 A HA -0.088 4.228 4.320 -0.006 0.000 0.219 1571 A C 1.029 178.550 177.584 -0.105 0.000 1.182 1571 A CA 0.866 52.853 52.037 -0.083 0.000 0.633 1571 A CB -0.031 18.917 19.000 -0.086 0.000 0.819 1571 A HN 0.265 nan 8.150 nan 0.000 0.448 1572 L N 0.206 121.369 121.223 -0.100 0.000 2.372 1572 L HA 0.336 4.672 4.340 -0.006 0.000 0.274 1572 L C -0.972 175.832 176.870 -0.109 0.000 0.988 1572 L CA -0.525 54.234 54.840 -0.134 0.000 0.833 1572 L CB 1.638 43.575 42.059 -0.204 0.000 1.236 1572 L HN 0.053 nan 8.230 nan 0.000 0.410 1573 K N 4.266 124.611 120.400 -0.092 0.000 2.363 1573 K HA 0.242 4.558 4.320 -0.006 0.000 0.289 1573 K C -0.312 176.251 176.600 -0.061 0.000 1.063 1573 K CA -0.225 56.022 56.287 -0.068 0.000 0.967 1573 K CB 0.388 32.847 32.500 -0.069 0.000 0.987 1573 K HN 0.403 nan 8.250 nan 0.000 0.473 1574 L N 3.062 124.252 121.223 -0.055 0.000 2.290 1574 L HA 0.283 4.619 4.340 -0.006 0.000 0.284 1574 L C 0.104 176.984 176.870 0.017 0.000 1.078 1574 L CA -0.014 54.792 54.840 -0.057 0.000 0.815 1574 L CB 1.007 43.036 42.059 -0.051 0.000 1.162 1574 L HN 0.596 nan 8.230 nan 0.000 0.435 1575 E N 1.964 122.211 120.200 0.080 0.000 2.314 1575 E HA 0.332 4.678 4.350 -0.006 0.000 0.272 1575 E C -1.097 175.551 176.600 0.081 0.000 0.884 1575 E CA -0.569 55.872 56.400 0.068 0.000 0.753 1575 E CB 2.164 31.895 29.700 0.051 0.000 1.213 1575 E HN 0.462 nan 8.360 nan 0.000 0.432 1576 E N 2.653 122.874 120.200 0.035 0.000 2.319 1576 E HA 0.196 4.542 4.350 -0.006 0.000 0.268 1576 E C -0.195 176.383 176.600 -0.037 0.000 1.050 1576 E CA -0.574 55.833 56.400 0.012 0.000 0.878 1576 E CB 0.889 30.595 29.700 0.009 0.000 1.066 1576 E HN 0.437 nan 8.360 nan 0.000 0.406 1577 K N 0.086 120.430 120.400 -0.093 0.000 3.529 1577 K HA -0.204 4.112 4.320 -0.006 0.000 0.313 1577 K C -0.339 176.091 176.600 -0.284 0.000 1.316 1577 K CA 1.169 57.345 56.287 -0.186 0.000 0.988 1577 K CB -1.290 31.151 32.500 -0.099 0.000 1.252 1577 K HN 0.518 nan 8.250 nan 0.000 0.438 1578 K N 1.784 122.057 120.400 -0.211 0.000 2.383 1578 K HA 0.106 4.423 4.320 -0.006 0.000 0.286 1578 K C 0.110 176.295 176.600 -0.692 0.000 1.051 1578 K CA 0.068 56.171 56.287 -0.306 0.000 0.974 1578 K CB 0.254 32.637 32.500 -0.195 0.000 0.968 1578 K HN 0.140 nan 8.250 nan 0.000 0.475 1579 H N 1.392 120.143 119.070 -0.531 0.000 2.607 1579 H HA 0.210 4.763 4.556 -0.006 0.000 0.367 1579 H C -0.938 174.002 175.328 -0.647 0.000 1.181 1579 H CA 0.508 56.259 56.048 -0.496 0.000 1.402 1579 H CB 0.442 29.945 29.762 -0.430 0.000 1.474 1579 H HN 0.360 nan 8.280 nan 0.000 0.596 1580 Y N 0.086 120.447 120.300 0.102 0.000 2.513 1580 Y HA 0.244 4.790 4.550 -0.006 0.000 0.340 1580 Y C -1.057 175.012 175.900 0.281 0.000 1.055 1580 Y CA -1.027 57.172 58.100 0.166 0.000 1.020 1580 Y CB 1.406 39.881 38.460 0.025 0.000 1.301 1580 Y HN 0.430 nan 8.280 nan 0.000 0.453 1581 L N 4.197 125.782 121.223 0.603 0.000 2.295 1581 L HA 0.854 5.191 4.340 -0.006 0.000 0.285 1581 L C -1.170 175.978 176.870 0.464 0.000 1.035 1581 L CA -0.427 54.774 54.840 0.601 0.000 0.806 1581 L CB 0.804 43.234 42.059 0.619 0.000 1.214 1581 L HN 0.757 nan 8.230 nan 0.000 0.426 1582 M N 4.771 124.655 119.600 0.473 0.000 2.471 1582 M HA 0.486 4.962 4.480 -0.006 0.000 0.284 1582 M C -1.923 174.677 176.300 0.500 0.000 1.203 1582 M CA -0.275 55.235 55.300 0.351 0.000 0.915 1582 M CB 2.258 34.984 32.600 0.210 0.000 1.734 1582 M HN 0.779 nan 8.290 nan 0.000 0.485 1583 W N 0.862 122.288 121.300 0.210 0.000 3.075 1583 W HA 0.964 5.620 4.660 -0.006 0.000 0.334 1583 W C -0.799 175.593 176.519 -0.211 0.000 1.243 1583 W CA -0.425 56.875 57.345 -0.074 0.000 1.170 1583 W CB 0.625 29.999 29.460 -0.143 0.000 1.452 1583 W HN 0.814 nan 8.180 nan 0.000 0.572 1584 G N 0.106 108.478 108.800 -0.713 0.000 2.793 1584 G HA2 0.669 4.625 3.960 -0.006 0.000 0.248 1584 G HA3 0.669 4.625 3.960 -0.006 0.000 0.248 1584 G C -1.676 172.976 174.900 -0.414 0.000 1.198 1584 G CA -1.022 43.815 45.100 -0.439 0.000 0.865 1584 G HN 0.767 nan 8.290 nan 0.000 0.534 1585 L N -0.133 121.048 121.223 -0.070 0.000 2.256 1585 L HA 0.532 4.868 4.340 -0.006 0.000 0.261 1585 L C 1.262 178.355 176.870 0.371 0.000 1.022 1585 L CA -0.614 54.288 54.840 0.103 0.000 0.828 1585 L CB 2.073 44.204 42.059 0.119 0.000 1.374 1585 L HN 0.607 nan 8.230 nan 0.000 0.436 1586 S N -2.200 113.752 115.700 0.419 0.000 2.631 1586 S HA -0.034 4.432 4.470 -0.006 0.000 0.217 1586 S C 1.061 175.983 174.600 0.537 0.000 0.958 1586 S CA 0.228 58.839 58.200 0.685 0.000 0.920 1586 S CB -0.347 63.087 63.200 0.391 0.000 0.776 1586 S HN 0.712 nan 8.310 nan 0.000 0.517 1587 S N -0.011 115.889 115.700 0.332 0.000 2.557 1587 S HA 0.228 4.695 4.470 -0.006 0.000 0.223 1587 S C 0.215 174.923 174.600 0.180 0.000 0.969 1587 S CA -0.342 57.994 58.200 0.225 0.000 0.927 1587 S CB -0.052 63.230 63.200 0.137 0.000 0.806 1587 S HN 0.250 nan 8.310 nan 0.000 0.489 1588 D N 0.819 121.338 120.400 0.197 0.000 2.342 1588 D HA 0.333 4.970 4.640 -0.006 0.000 0.221 1588 D C -0.704 175.539 176.300 -0.095 0.000 1.101 1588 D CA -0.237 53.786 54.000 0.039 0.000 0.837 1588 D CB -0.099 40.757 40.800 0.094 0.000 0.938 1588 D HN 0.373 nan 8.370 nan 0.000 0.508 1589 F N 0.308 120.280 119.950 0.036 0.000 2.412 1589 F HA 0.261 4.784 4.527 -0.006 0.000 0.348 1589 F C 0.441 176.343 175.800 0.170 0.000 1.102 1589 F CA -0.489 57.496 58.000 -0.024 0.000 1.196 1589 F CB 0.905 39.887 39.000 -0.030 0.000 1.144 1589 F HN -0.109 nan 8.300 nan 0.000 0.541 1590 W N 4.612 125.914 121.300 0.002 0.000 2.532 1590 W HA 0.466 5.122 4.660 -0.006 0.000 0.321 1590 W C 0.296 176.822 176.519 0.013 0.000 1.037 1590 W CA -0.689 56.656 57.345 -0.001 0.000 1.220 1590 W CB 1.501 30.940 29.460 -0.034 0.000 1.361 1590 W HN 0.856 nan 8.180 nan 0.000 0.468 1591 G N 3.547 112.275 108.800 -0.121 0.000 2.801 1591 G HA2 -0.282 3.675 3.960 -0.006 0.000 0.244 1591 G HA3 -0.282 3.675 3.960 -0.006 0.000 0.244 1591 G C -0.174 174.688 174.900 -0.064 0.000 1.385 1591 G CA -0.530 44.427 45.100 -0.239 0.000 0.894 1591 G HN 0.570 nan 8.290 nan 0.000 0.562 1592 E N 0.385 120.535 120.200 -0.083 0.000 2.351 1592 E HA 0.401 4.747 4.350 -0.006 0.000 0.255 1592 E C 0.543 177.124 176.600 -0.031 0.000 1.188 1592 E CA -0.350 56.021 56.400 -0.049 0.000 0.940 1592 E CB 0.624 30.290 29.700 -0.055 0.000 1.094 1592 E HN 0.560 nan 8.360 nan 0.000 0.474 1593 K N 0.732 121.113 120.400 -0.031 0.000 2.098 1593 K HA 0.278 4.594 4.320 -0.006 0.000 0.257 1593 K C -1.821 174.770 176.600 -0.016 0.000 0.999 1593 K CA -1.420 54.855 56.287 -0.020 0.000 0.924 1593 K CB 0.277 32.756 32.500 -0.034 0.000 1.028 1593 K HN 0.183 nan 8.250 nan 0.000 0.466 1594 P HA 0.146 nan 4.420 nan 0.000 0.258 1594 P C -0.991 176.321 177.300 0.019 0.000 1.416 1594 P CA -0.027 63.079 63.100 0.011 0.000 0.927 1594 P CB 0.174 31.883 31.700 0.015 0.000 1.444 1595 N N 0.635 119.339 118.700 0.007 0.000 3.259 1595 N HA 0.128 4.865 4.740 -0.006 0.000 0.308 1595 N C -0.123 175.394 175.510 0.012 0.000 1.334 1595 N CA 0.129 53.185 53.050 0.010 0.000 1.202 1595 N CB -0.478 38.005 38.487 -0.006 0.000 1.485 1595 N HN 0.219 nan 8.380 nan 0.000 0.549 1596 L N -0.107 121.133 121.223 0.028 0.000 2.418 1596 L HA 0.376 4.713 4.340 -0.006 0.000 0.265 1596 L C 0.504 177.355 176.870 -0.032 0.000 1.143 1596 L CA -0.142 54.715 54.840 0.030 0.000 0.809 1596 L CB 0.833 42.947 42.059 0.092 0.000 1.124 1596 L HN 0.180 nan 8.230 nan 0.000 0.456 1597 S N -0.333 115.313 115.700 -0.090 0.000 2.704 1597 S HA 0.661 5.127 4.470 -0.006 0.000 0.296 1597 S C -1.400 172.868 174.600 -0.553 0.000 1.138 1597 S CA -0.681 57.439 58.200 -0.133 0.000 0.875 1597 S CB 1.607 64.887 63.200 0.133 0.000 1.151 1597 S HN 0.264 nan 8.310 nan 0.000 0.500 1598 Y N 0.345 120.360 120.300 -0.475 0.000 2.446 1598 Y HA 0.546 5.092 4.550 -0.006 0.000 0.345 1598 Y C -0.186 175.385 175.900 -0.547 0.000 0.984 1598 Y CA -0.952 56.606 58.100 -0.903 0.000 1.058 1598 Y CB 1.082 38.203 38.460 -2.232 0.000 1.220 1598 Y HN 0.383 nan 8.280 nan 0.000 0.455 1599 I N 4.455 124.870 120.570 -0.259 0.000 2.336 1599 I HA 0.244 4.411 4.170 -0.006 0.000 0.292 1599 I C -0.190 175.891 176.117 -0.059 0.000 0.991 1599 I CA -0.596 60.595 61.300 -0.181 0.000 1.227 1599 I CB 1.578 39.420 38.000 -0.264 0.000 1.366 1599 I HN 0.605 nan 8.210 nan 0.000 0.466 1600 I N 5.950 126.523 120.570 0.005 0.000 2.311 1600 I HA 0.196 4.362 4.170 -0.006 0.000 0.297 1600 I C 0.851 176.968 176.117 -0.000 0.000 1.131 1600 I CA 0.402 61.738 61.300 0.061 0.000 1.289 1600 I CB 0.400 38.466 38.000 0.109 0.000 1.446 1600 I HN 0.704 nan 8.210 nan 0.000 0.524 1601 G N 5.143 113.942 108.800 -0.002 0.000 3.119 1601 G HA2 0.307 4.263 3.960 -0.006 0.000 0.206 1601 G HA3 0.307 4.263 3.960 -0.006 0.000 0.206 1601 G C 0.506 175.389 174.900 -0.029 0.000 1.313 1601 G CA -0.373 44.712 45.100 -0.024 0.000 1.010 1601 G HN 0.571 nan 8.290 nan 0.000 0.578 1602 K N -0.781 119.604 120.400 -0.025 0.000 2.044 1602 K HA 0.091 4.407 4.320 -0.006 0.000 0.204 1602 K C 1.166 177.762 176.600 -0.007 0.000 1.045 1602 K CA 1.327 57.600 56.287 -0.023 0.000 0.951 1602 K CB -0.133 32.358 32.500 -0.014 0.000 0.738 1602 K HN 0.141 nan 8.250 nan 0.000 0.443 1603 D N 1.402 121.809 120.400 0.012 0.000 2.403 1603 D HA -0.036 4.600 4.640 -0.006 0.000 0.227 1603 D C -0.050 176.259 176.300 0.014 0.000 0.995 1603 D CA 0.791 54.812 54.000 0.035 0.000 0.928 1603 D CB -0.192 40.636 40.800 0.046 0.000 0.887 1603 D HN 0.257 nan 8.370 nan 0.000 0.529 1604 T N -0.133 114.410 114.554 -0.018 0.000 2.934 1604 T HA 0.247 4.593 4.350 -0.006 0.000 0.283 1604 T C -0.470 174.140 174.700 -0.151 0.000 1.005 1604 T CA -0.744 61.313 62.100 -0.072 0.000 1.041 1604 T CB 1.902 70.790 68.868 0.034 0.000 1.042 1604 T HN 0.090 nan 8.240 nan 0.000 0.505 1605 W N 2.360 123.300 121.300 -0.601 0.000 2.656 1605 W HA 0.628 5.284 4.660 -0.006 0.000 0.327 1605 W C -2.149 174.044 176.519 -0.543 0.000 1.041 1605 W CA -0.797 56.098 57.345 -0.751 0.000 1.229 1605 W CB 1.170 29.643 29.460 -1.646 0.000 1.397 1605 W HN 0.340 nan 8.180 nan 0.000 0.479 1606 V N 5.613 125.109 119.914 -0.697 0.000 2.577 1606 V HA 0.376 4.492 4.120 -0.006 0.000 0.303 1606 V C -0.818 175.049 176.094 -0.379 0.000 1.042 1606 V CA -0.610 61.453 62.300 -0.396 0.000 0.872 1606 V CB 2.059 33.699 31.823 -0.304 0.000 0.998 1606 V HN 0.496 nan 8.190 nan 0.000 0.423 1607 E N 2.438 122.618 120.200 -0.034 0.000 2.290 1607 E HA 0.304 4.650 4.350 -0.006 0.000 0.274 1607 E C -1.128 175.667 176.600 0.324 0.000 0.889 1607 E CA -0.746 55.724 56.400 0.117 0.000 0.760 1607 E CB 2.158 32.014 29.700 0.260 0.000 1.206 1607 E HN 0.808 nan 8.360 nan 0.000 0.419 1608 H N 4.415 123.626 119.070 0.235 0.000 3.015 1608 H HA 0.002 4.554 4.556 -0.006 0.000 0.268 1608 H C -0.829 174.629 175.328 0.218 0.000 1.113 1608 H CA -0.266 55.970 56.048 0.314 0.000 1.479 1608 H CB 0.456 30.343 29.762 0.208 0.000 1.493 1608 H HN 0.502 nan 8.280 nan 0.000 0.486 1609 W N 9.209 130.299 121.300 -0.350 0.000 2.419 1609 W HA 0.186 4.843 4.660 -0.006 0.000 0.312 1609 W C -2.530 173.622 176.519 -0.613 0.000 1.323 1609 W CA -2.562 54.584 57.345 -0.332 0.000 1.293 1609 W CB 0.519 29.904 29.460 -0.124 0.000 1.324 1609 W HN 0.573 nan 8.180 nan 0.000 0.512 1610 P HA -0.041 nan 4.420 nan 0.000 0.278 1610 P C -0.682 176.676 177.300 0.097 0.000 1.270 1610 P CA 0.292 63.344 63.100 -0.081 0.000 0.800 1610 P CB 0.666 32.351 31.700 -0.025 0.000 1.142 1611 E N -0.962 119.279 120.200 0.068 0.000 2.232 1611 E HA 0.144 4.490 4.350 -0.006 0.000 0.264 1611 E C 0.913 177.533 176.600 0.033 0.000 0.973 1611 E CA -0.459 55.965 56.400 0.041 0.000 0.849 1611 E CB 0.570 30.303 29.700 0.056 0.000 1.198 1611 E HN 0.262 nan 8.360 nan 0.000 0.407 1612 E N 1.016 121.213 120.200 -0.006 0.000 2.045 1612 E HA -0.263 4.083 4.350 -0.006 0.000 0.212 1612 E C 0.592 177.202 176.600 0.017 0.000 1.039 1612 E CA 2.573 58.975 56.400 0.003 0.000 0.860 1612 E CB -0.156 29.534 29.700 -0.017 0.000 0.776 1612 E HN 0.625 nan 8.360 nan 0.000 0.467 1613 D N -0.844 119.566 120.400 0.016 0.000 2.328 1613 D HA -0.014 4.623 4.640 -0.006 0.000 0.226 1613 D C 0.956 177.270 176.300 0.024 0.000 1.066 1613 D CA 0.235 54.246 54.000 0.018 0.000 0.861 1613 D CB -0.104 40.705 40.800 0.015 0.000 0.912 1613 D HN 0.415 nan 8.370 nan 0.000 0.521 1614 E N -0.529 119.691 120.200 0.032 0.000 2.276 1614 E HA 0.041 4.387 4.350 -0.006 0.000 0.193 1614 E C 1.000 177.619 176.600 0.031 0.000 0.983 1614 E CA 0.114 56.537 56.400 0.039 0.000 0.861 1614 E CB 0.137 29.875 29.700 0.062 0.000 0.817 1614 E HN 0.245 nan 8.360 nan 0.000 0.485 1615 c N 1.768 120.384 118.600 0.026 0.000 2.491 1615 c HA 0.004 4.571 4.570 -0.006 0.000 0.277 1615 c C 2.148 176.245 174.090 0.010 0.000 1.455 1615 c CA 0.140 56.478 56.329 0.014 0.000 1.758 1615 c CB -0.569 41.949 42.510 0.012 0.000 1.745 1615 c HN 0.402 nan 8.230 nan 0.000 0.558 1616 Q N 0.736 120.544 119.800 0.013 0.000 2.364 1616 Q HA -0.016 4.320 4.340 -0.006 0.000 0.207 1616 Q C 0.659 176.664 176.000 0.009 0.000 0.970 1616 Q CA 0.817 56.626 55.803 0.010 0.000 0.888 1616 Q CB -0.429 28.316 28.738 0.011 0.000 0.951 1616 Q HN 0.649 nan 8.270 nan 0.000 0.469 1617 D N 2.065 122.471 120.400 0.011 0.000 2.378 1617 D HA -0.091 4.546 4.640 -0.006 0.000 0.238 1617 D C 0.606 176.910 176.300 0.006 0.000 1.180 1617 D CA 0.219 54.225 54.000 0.010 0.000 0.895 1617 D CB 0.681 41.490 40.800 0.014 0.000 1.192 1617 D HN 0.255 nan 8.370 nan 0.000 0.438 1618 E N 0.703 120.906 120.200 0.005 0.000 2.423 1618 E HA 0.132 4.478 4.350 -0.006 0.000 0.198 1618 E C 0.098 176.699 176.600 0.001 0.000 1.038 1618 E CA 0.047 56.448 56.400 0.002 0.000 1.011 1618 E CB 0.103 29.804 29.700 0.002 0.000 1.118 1618 E HN 0.466 nan 8.360 nan 0.000 0.451 1619 E N -0.136 120.066 120.200 0.003 0.000 2.603 1619 E HA 0.084 4.430 4.350 -0.006 0.000 0.218 1619 E C 0.744 177.345 176.600 0.001 0.000 0.878 1619 E CA -0.089 56.312 56.400 0.002 0.000 1.348 1619 E CB 0.378 30.081 29.700 0.004 0.000 1.318 1619 E HN 0.103 nan 8.360 nan 0.000 0.673 1620 N N 1.280 119.981 118.700 0.002 0.000 2.463 1620 N HA -0.041 4.696 4.740 -0.006 0.000 0.181 1620 N C 1.399 176.897 175.510 -0.020 0.000 1.078 1620 N CA 0.571 53.619 53.050 -0.002 0.000 0.902 1620 N CB 0.130 38.621 38.487 0.008 0.000 0.970 1620 N HN 0.211 nan 8.380 nan 0.000 0.451 1621 Q N 0.420 120.210 119.800 -0.016 0.000 2.124 1621 Q HA -0.085 4.252 4.340 -0.006 0.000 0.202 1621 Q C 1.584 177.565 176.000 -0.031 0.000 0.977 1621 Q CA 1.112 56.902 55.803 -0.022 0.000 0.850 1621 Q CB -0.035 28.695 28.738 -0.013 0.000 0.901 1621 Q HN 0.077 nan 8.270 nan 0.000 0.429 1622 K N 0.973 121.357 120.400 -0.025 0.000 2.360 1622 K HA -0.197 4.119 4.320 -0.006 0.000 0.201 1622 K C 1.727 178.301 176.600 -0.044 0.000 1.046 1622 K CA 1.283 57.554 56.287 -0.027 0.000 0.945 1622 K CB 0.072 32.562 32.500 -0.016 0.000 0.750 1622 K HN 0.263 nan 8.250 nan 0.000 0.464 1623 Q N -1.238 118.527 119.800 -0.060 0.000 2.252 1623 Q HA -0.043 4.293 4.340 -0.006 0.000 0.195 1623 Q C 1.962 177.865 176.000 -0.163 0.000 0.974 1623 Q CA 1.095 56.837 55.803 -0.100 0.000 0.846 1623 Q CB -0.300 28.383 28.738 -0.092 0.000 0.943 1623 Q HN 0.355 nan 8.270 nan 0.000 0.516 1624 c N 1.562 120.068 118.600 -0.158 0.000 2.398 1624 c HA -0.179 4.387 4.570 -0.006 0.000 0.279 1624 c C 2.564 176.570 174.090 -0.141 0.000 1.250 1624 c CA 1.107 57.325 56.329 -0.186 0.000 1.786 1624 c CB -1.070 41.383 42.510 -0.095 0.000 2.018 1624 c HN 0.594 nan 8.230 nan 0.000 0.494 1625 Q N 0.434 120.179 119.800 -0.091 0.000 2.008 1625 Q HA -0.123 4.213 4.340 -0.006 0.000 0.196 1625 Q C 1.938 177.903 176.000 -0.060 0.000 0.973 1625 Q CA 1.140 56.909 55.803 -0.056 0.000 0.826 1625 Q CB -0.269 28.448 28.738 -0.035 0.000 0.894 1625 Q HN 0.577 nan 8.270 nan 0.000 0.439 1626 D N 1.089 121.446 120.400 -0.071 0.000 2.126 1626 D HA -0.197 4.439 4.640 -0.006 0.000 0.190 1626 D C 2.021 178.280 176.300 -0.069 0.000 1.001 1626 D CA 1.150 55.113 54.000 -0.063 0.000 0.841 1626 D CB -0.279 40.474 40.800 -0.078 0.000 0.949 1626 D HN 0.158 nan 8.370 nan 0.000 0.446 1627 L N 0.513 121.628 121.223 -0.180 0.000 1.956 1627 L HA -0.173 4.164 4.340 -0.006 0.000 0.216 1627 L C 2.713 179.541 176.870 -0.070 0.000 1.073 1627 L CA 1.736 56.412 54.840 -0.273 0.000 0.762 1627 L CB -1.261 40.346 42.059 -0.753 0.000 0.889 1627 L HN 0.111 nan 8.230 nan 0.000 0.433 1628 G N -0.267 108.490 108.800 -0.072 0.000 2.681 1628 G HA2 -0.390 3.566 3.960 -0.006 0.000 0.220 1628 G HA3 -0.390 3.566 3.960 -0.006 0.000 0.220 1628 G C 1.708 176.653 174.900 0.075 0.000 1.210 1628 G CA 1.561 46.690 45.100 0.049 0.000 0.783 1628 G HN 0.539 nan 8.290 nan 0.000 0.609 1629 A N 0.309 123.158 122.820 0.049 0.000 1.873 1629 A HA -0.069 4.248 4.320 -0.006 0.000 0.218 1629 A C 2.257 179.883 177.584 0.069 0.000 1.193 1629 A CA 2.030 54.095 52.037 0.047 0.000 0.629 1629 A CB -0.777 18.240 19.000 0.029 0.000 0.826 1629 A HN 0.574 nan 8.150 nan 0.000 0.447 1630 F N 1.580 121.499 119.950 -0.052 0.000 2.147 1630 F HA -0.232 4.291 4.527 -0.006 0.000 0.301 1630 F C 2.444 178.238 175.800 -0.010 0.000 1.084 1630 F CA 2.367 60.331 58.000 -0.061 0.000 1.268 1630 F CB -0.720 38.223 39.000 -0.095 0.000 1.009 1630 F HN 0.246 nan 8.300 nan 0.000 0.486 1631 T N 0.086 114.694 114.554 0.088 0.000 2.652 1631 T HA -0.228 4.118 4.350 -0.006 0.000 0.267 1631 T C 1.711 176.384 174.700 -0.045 0.000 1.039 1631 T CA 1.942 64.075 62.100 0.056 0.000 1.153 1631 T CB -0.397 68.597 68.868 0.210 0.000 0.863 1631 T HN 0.416 nan 8.240 nan 0.000 0.428 1632 E N 0.898 121.095 120.200 -0.005 0.000 2.150 1632 E HA -0.054 4.293 4.350 -0.006 0.000 0.193 1632 E C 2.309 178.898 176.600 -0.018 0.000 0.985 1632 E CA 0.960 57.361 56.400 0.002 0.000 0.814 1632 E CB -0.145 29.574 29.700 0.032 0.000 0.752 1632 E HN 0.331 nan 8.360 nan 0.000 0.466 1633 S N -0.279 115.373 115.700 -0.080 0.000 2.515 1633 S HA -0.022 4.444 4.470 -0.006 0.000 0.231 1633 S C 1.560 176.059 174.600 -0.169 0.000 0.987 1633 S CA 0.600 58.744 58.200 -0.093 0.000 0.936 1633 S CB 0.131 63.250 63.200 -0.135 0.000 0.766 1633 S HN 0.119 nan 8.310 nan 0.000 0.528 1634 M N 0.597 120.026 119.600 -0.286 0.000 2.379 1634 M HA 0.216 4.692 4.480 -0.006 0.000 0.265 1634 M C 1.801 178.013 176.300 -0.147 0.000 1.095 1634 M CA 0.459 55.570 55.300 -0.314 0.000 1.075 1634 M CB 0.027 32.261 32.600 -0.610 0.000 1.443 1634 M HN 0.357 nan 8.290 nan 0.000 0.519 1635 V N -3.428 116.431 119.914 -0.091 0.000 2.672 1635 V HA 0.095 4.211 4.120 -0.006 0.000 0.242 1635 V C 1.942 178.015 176.094 -0.034 0.000 1.059 1635 V CA 0.704 62.979 62.300 -0.042 0.000 1.081 1635 V CB -0.805 31.007 31.823 -0.019 0.000 0.752 1635 V HN 0.156 nan 8.190 nan 0.000 0.472 1636 V N -0.925 118.976 119.914 -0.021 0.000 2.446 1636 V HA 0.090 4.206 4.120 -0.006 0.000 0.244 1636 V C 2.077 178.075 176.094 -0.160 0.000 1.039 1636 V CA 1.862 64.115 62.300 -0.078 0.000 1.045 1636 V CB 0.215 32.002 31.823 -0.061 0.000 0.681 1636 V HN 0.448 nan 8.190 nan 0.000 0.459 1637 F N 0.051 119.959 119.950 -0.070 0.000 2.287 1637 F HA 0.584 5.107 4.527 -0.006 0.000 0.276 1637 F C 1.521 177.275 175.800 -0.075 0.000 1.047 1637 F CA 1.528 59.488 58.000 -0.067 0.000 1.194 1637 F CB -0.016 38.941 39.000 -0.072 0.000 1.118 1637 F HN 0.372 nan 8.300 nan 0.000 0.556 1638 G N -0.710 108.158 108.800 0.113 0.000 2.378 1638 G HA2 -0.177 3.779 3.960 -0.006 0.000 0.198 1638 G HA3 -0.177 3.779 3.960 -0.006 0.000 0.198 1638 G C -1.389 173.499 174.900 -0.020 0.000 1.223 1638 G CA -0.871 44.232 45.100 0.005 0.000 1.088 1638 G HN 0.350 nan 8.290 nan 0.000 0.530 1639 c N 2.260 120.840 118.600 -0.035 0.000 2.435 1639 c HA 0.529 5.095 4.570 -0.006 0.000 0.375 1639 c C 0.132 174.208 174.090 -0.024 0.000 1.281 1639 c CA 0.061 56.360 56.329 -0.050 0.000 1.963 1639 c CB 0.868 43.343 42.510 -0.058 0.000 2.490 1639 c HN 0.642 nan 8.230 nan 0.000 0.557 1640 P HA -0.128 nan 4.420 nan 0.000 0.217 1640 P C 0.610 177.900 177.300 -0.016 0.000 1.151 1640 P CA 1.301 64.381 63.100 -0.032 0.000 0.849 1640 P CB 0.048 31.715 31.700 -0.055 0.000 0.787 1641 N N 0.000 118.688 118.700 -0.021 0.000 1.763 1641 N HA 0.000 4.736 4.740 -0.006 0.000 0.220 1641 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 1641 N CB 0.000 38.478 38.487 -0.016 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667