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 1ux4_1_A DATA FIRST_RESID 1352 DATA SEQUENCE PRPHKKLKQL HWEKLDCTDN SIWGTGKAEK FADDLYEKGV LADLEKAFAA DATA SEQUENCE REIKSLASKE FXXXXKITFL SRDISQQFGI NLHMYSSLSV ADLVKKILNC DATA SEQUENCE DRDFLQTPSV VEFLSKSEII EVSVNLARNY APYSTDWEGV RNLEDAKPPE DATA SEQUENCE KDPNDLQRAD QIYLQLMVNL ESYWGSRMRA LTVVTSYERE YNELLAKLRK DATA SEQUENCE VDKAVSALQE SDNLRNVFNV ILAVGNFMND TSKQAQGFKL STLQRLTFIK DATA SEQUENCE DTTNSMTFLN YVEKIVRLNY PSFNDFLSEL EPVLDVVKVS IEQLVNDCKD DATA SEQUENCE FSQSIVNVER SVEIGNLSDS SKFHPLDKVL IKTLPVLPEA RKKGDLLEDE DATA SEQUENCE VKLTIMEFES LMHTYGEDSG DKFAKISFFK KFADFINEYK KAQAQNLAAE DATA SEQUENCE EEERLYIKHK KIVE 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 1352 P HA 0.000 nan 4.420 nan 0.000 0.216 1352 P C 0.000 177.221 177.300 -0.132 0.000 1.155 1352 P CA 0.000 63.054 63.100 -0.077 0.000 0.800 1352 P CB 0.000 31.664 31.700 -0.060 0.000 0.726 1353 R N 1.469 121.859 120.500 -0.183 0.000 2.771 1353 R HA 0.584 4.923 4.340 -0.002 0.000 0.274 1353 R C -1.919 174.261 176.300 -0.201 0.000 0.987 1353 R CA -1.463 54.543 56.100 -0.156 0.000 0.908 1353 R CB 0.605 30.847 30.300 -0.096 0.000 1.213 1353 R HN 0.333 nan 8.270 nan 0.000 0.468 1354 P HA 0.008 nan 4.420 nan 0.000 0.206 1354 P C 0.314 177.640 177.300 0.043 0.000 1.093 1354 P CA 1.074 64.126 63.100 -0.081 0.000 0.703 1354 P CB 0.822 32.495 31.700 -0.046 0.000 0.622 1355 H N -2.832 116.204 119.070 -0.056 0.000 2.111 1355 H HA 0.218 4.773 4.556 -0.002 0.000 0.140 1355 H C 0.188 175.502 175.328 -0.025 0.000 0.997 1355 H CA 0.026 56.055 56.048 -0.032 0.000 0.591 1355 H CB 0.902 30.656 29.762 -0.013 0.000 0.517 1355 H HN 0.135 nan 8.280 nan 0.000 0.374 1356 K N 0.922 121.359 120.400 0.062 0.000 2.263 1356 K HA 0.380 4.698 4.320 -0.002 0.000 0.249 1356 K C -0.497 176.098 176.600 -0.009 0.000 1.076 1356 K CA -1.046 55.257 56.287 0.027 0.000 0.884 1356 K CB 1.821 34.364 32.500 0.073 0.000 1.394 1356 K HN -0.171 nan 8.250 nan 0.000 0.476 1357 K N 2.180 122.574 120.400 -0.011 0.000 2.349 1357 K HA 0.259 4.578 4.320 -0.002 0.000 0.289 1357 K C -0.135 176.456 176.600 -0.014 0.000 1.064 1357 K CA 0.152 56.425 56.287 -0.023 0.000 0.947 1357 K CB -0.174 32.313 32.500 -0.023 0.000 1.007 1357 K HN 0.403 nan 8.250 nan 0.000 0.478 1358 L N 1.886 123.091 121.223 -0.029 0.000 2.331 1358 L HA 0.381 4.720 4.340 -0.002 0.000 0.268 1358 L C 0.671 177.513 176.870 -0.047 0.000 1.015 1358 L CA -1.076 53.751 54.840 -0.021 0.000 0.807 1358 L CB 0.938 42.975 42.059 -0.037 0.000 1.293 1358 L HN 0.321 nan 8.230 nan 0.000 0.451 1359 K N 2.005 122.381 120.400 -0.039 0.000 2.402 1359 K HA 0.070 4.389 4.320 -0.002 0.000 0.285 1359 K C -0.538 175.973 176.600 -0.148 0.000 1.054 1359 K CA -0.340 55.907 56.287 -0.068 0.000 1.001 1359 K CB 0.387 32.859 32.500 -0.047 0.000 0.946 1359 K HN 0.322 nan 8.250 nan 0.000 0.473 1360 Q N 2.237 121.952 119.800 -0.143 0.000 2.327 1360 Q HA 0.119 4.458 4.340 -0.002 0.000 0.254 1360 Q C -0.348 175.497 176.000 -0.257 0.000 0.952 1360 Q CA -0.413 55.255 55.803 -0.225 0.000 0.884 1360 Q CB 0.949 29.544 28.738 -0.238 0.000 1.224 1360 Q HN 0.328 nan 8.270 nan 0.000 0.422 1361 L N 3.495 124.488 121.223 -0.383 0.000 2.275 1361 L HA 0.216 4.555 4.340 -0.002 0.000 0.288 1361 L C -0.808 175.832 176.870 -0.383 0.000 1.046 1361 L CA -0.328 54.273 54.840 -0.398 0.000 0.805 1361 L CB 0.553 42.207 42.059 -0.675 0.000 1.193 1361 L HN 0.475 nan 8.230 nan 0.000 0.426 1362 H N 5.445 124.400 119.070 -0.192 0.000 2.846 1362 H HA 0.453 5.008 4.556 -0.002 0.000 0.278 1362 H C -0.879 174.520 175.328 0.118 0.000 1.117 1362 H CA -0.049 55.985 56.048 -0.024 0.000 1.406 1362 H CB 0.038 29.789 29.762 -0.019 0.000 1.445 1362 H HN 0.569 nan 8.280 nan 0.000 0.469 1363 W N 1.200 122.515 121.300 0.025 0.000 3.075 1363 W HA 0.505 5.164 4.660 -0.002 0.000 0.334 1363 W C -1.185 175.334 176.519 -0.000 0.000 1.243 1363 W CA -1.527 55.825 57.345 0.011 0.000 1.170 1363 W CB 0.642 30.088 29.460 -0.022 0.000 1.452 1363 W HN 0.338 nan 8.180 nan 0.000 0.572 1364 E N 2.344 122.606 120.200 0.103 0.000 2.055 1364 E HA 0.196 4.545 4.350 -0.002 0.000 0.274 1364 E C 0.076 176.495 176.600 -0.302 0.000 0.949 1364 E CA -0.605 55.753 56.400 -0.070 0.000 0.775 1364 E CB 1.399 31.105 29.700 0.010 0.000 1.097 1364 E HN 0.389 nan 8.360 nan 0.000 0.404 1365 K N 1.731 121.845 120.400 -0.477 0.000 2.098 1365 K HA 0.357 4.676 4.320 -0.002 0.000 0.244 1365 K C -0.319 176.080 176.600 -0.335 0.000 1.014 1365 K CA -0.796 55.126 56.287 -0.609 0.000 0.917 1365 K CB 0.764 32.843 32.500 -0.702 0.000 1.072 1365 K HN 0.168 nan 8.250 nan 0.000 0.477 1366 L N 3.338 124.363 121.223 -0.331 0.000 2.352 1366 L HA 0.070 4.409 4.340 -0.002 0.000 0.272 1366 L C 0.348 177.117 176.870 -0.169 0.000 1.109 1366 L CA 0.443 55.177 54.840 -0.177 0.000 0.952 1366 L CB 0.024 42.027 42.059 -0.093 0.000 1.314 1366 L HN 0.726 nan 8.230 nan 0.000 0.427 1367 D N 0.852 121.167 120.400 -0.143 0.000 6.235 1367 D HA -0.304 4.335 4.640 -0.002 0.000 0.293 1367 D C 0.234 176.470 176.300 -0.107 0.000 1.817 1367 D CA 1.810 55.741 54.000 -0.116 0.000 0.850 1367 D CB -0.085 40.666 40.800 -0.082 0.000 0.721 1367 D HN 0.445 nan 8.370 nan 0.000 0.899 1368 C N -0.303 118.948 119.300 -0.081 0.000 2.535 1368 C HA 0.282 4.741 4.460 -0.002 0.000 0.319 1368 C C -0.071 174.897 174.990 -0.037 0.000 1.171 1368 C CA -0.877 58.103 59.018 -0.062 0.000 1.394 1368 C CB 1.776 29.491 27.740 -0.042 0.000 1.990 1368 C HN 0.161 nan 8.230 nan 0.000 0.466 1369 T N 4.096 118.632 114.554 -0.030 0.000 2.596 1369 T HA -0.015 4.333 4.350 -0.002 0.000 0.252 1369 T C 0.326 175.059 174.700 0.055 0.000 1.033 1369 T CA 1.172 63.291 62.100 0.031 0.000 1.215 1369 T CB -0.217 68.678 68.868 0.045 0.000 1.011 1369 T HN 0.615 nan 8.240 nan 0.000 0.498 1370 D N 2.593 123.050 120.400 0.095 0.000 2.560 1370 D HA 0.170 4.809 4.640 -0.002 0.000 0.277 1370 D C 0.404 176.744 176.300 0.066 0.000 1.194 1370 D CA -0.698 53.343 54.000 0.068 0.000 1.092 1370 D CB 0.385 41.223 40.800 0.062 0.000 1.169 1370 D HN 0.376 nan 8.370 nan 0.000 0.607 1371 N N -0.245 118.477 118.700 0.037 0.000 2.971 1371 N HA 0.164 4.903 4.740 -0.002 0.000 0.294 1371 N C -0.611 174.900 175.510 0.001 0.000 1.210 1371 N CA 0.073 53.133 53.050 0.017 0.000 1.157 1371 N CB 0.376 38.866 38.487 0.005 0.000 1.450 1371 N HN 0.074 nan 8.380 nan 0.000 0.527 1372 S N -0.301 115.399 115.700 0.000 0.000 3.605 1372 S HA 0.396 4.865 4.470 -0.002 0.000 0.301 1372 S C 1.117 175.622 174.600 -0.158 0.000 1.083 1372 S CA -0.841 57.307 58.200 -0.087 0.000 1.109 1372 S CB 0.257 63.395 63.200 -0.103 0.000 1.364 1372 S HN 0.436 nan 8.310 nan 0.000 0.758 1373 I N -1.575 118.759 120.570 -0.393 0.000 3.684 1373 I HA 0.331 4.500 4.170 -0.002 0.000 0.304 1373 I C -0.562 175.331 176.117 -0.373 0.000 1.278 1373 I CA -0.040 60.988 61.300 -0.455 0.000 1.272 1373 I CB -0.169 37.405 38.000 -0.711 0.000 1.029 1373 I HN 0.268 nan 8.210 nan 0.000 0.458 1374 W N 1.060 122.360 121.300 -0.000 0.000 2.516 1374 W HA 0.630 5.288 4.660 -0.002 0.000 0.343 1374 W C 1.098 177.616 176.519 -0.002 0.000 1.094 1374 W CA -0.047 57.298 57.345 -0.001 0.000 1.250 1374 W CB 1.461 30.909 29.460 -0.021 0.000 1.308 1374 W HN 0.096 nan 8.180 nan 0.000 0.588 1375 G N -0.614 108.354 108.800 0.279 0.000 2.612 1375 G HA2 -0.390 3.569 3.960 -0.002 0.000 0.200 1375 G HA3 -0.390 3.569 3.960 -0.002 0.000 0.200 1375 G C 1.139 176.105 174.900 0.111 0.000 1.053 1375 G CA 0.381 45.568 45.100 0.145 0.000 0.707 1375 G HN 0.609 nan 8.290 nan 0.000 0.497 1376 T N -0.634 113.990 114.554 0.116 0.000 2.624 1376 T HA 0.119 4.468 4.350 -0.002 0.000 0.266 1376 T C 2.938 177.683 174.700 0.075 0.000 1.050 1376 T CA 3.025 65.175 62.100 0.083 0.000 1.163 1376 T CB -0.853 68.068 68.868 0.088 0.000 0.861 1376 T HN 2.534 nan 8.240 nan 0.000 0.443 1377 G N 0.853 109.716 108.800 0.105 0.000 2.179 1377 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.220 1377 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.220 1377 G C 0.738 175.687 174.900 0.081 0.000 0.990 1377 G CA 0.409 45.557 45.100 0.080 0.000 0.646 1377 G HN 0.595 nan 8.290 nan 0.000 0.517 1378 K N 0.596 121.059 120.400 0.104 0.000 2.442 1378 K HA 0.273 4.592 4.320 -0.002 0.000 0.198 1378 K C 2.666 179.417 176.600 0.253 0.000 1.044 1378 K CA 0.959 57.292 56.287 0.077 0.000 0.948 1378 K CB -0.113 32.452 32.500 0.109 0.000 0.762 1378 K HN 0.550 nan 8.250 nan 0.000 0.472 1379 A N 1.238 124.210 122.820 0.254 0.000 2.070 1379 A HA -0.182 4.137 4.320 -0.002 0.000 0.220 1379 A C 1.595 179.299 177.584 0.201 0.000 1.159 1379 A CA 1.504 53.693 52.037 0.254 0.000 0.656 1379 A CB -0.107 18.984 19.000 0.153 0.000 0.800 1379 A HN 0.181 nan 8.150 nan 0.000 0.453 1380 E N -0.272 120.010 120.200 0.135 0.000 2.132 1380 E HA 0.069 4.418 4.350 -0.002 0.000 0.193 1380 E C 1.656 178.303 176.600 0.078 0.000 0.951 1380 E CA 0.760 57.217 56.400 0.095 0.000 0.843 1380 E CB -0.164 29.570 29.700 0.055 0.000 0.807 1380 E HN 0.534 nan 8.360 nan 0.000 0.467 1381 K N -0.314 120.088 120.400 0.004 0.000 2.520 1381 K HA -0.087 4.232 4.320 -0.002 0.000 0.197 1381 K C 1.007 177.519 176.600 -0.147 0.000 1.043 1381 K CA 0.872 57.093 56.287 -0.110 0.000 0.944 1381 K CB -0.042 32.319 32.500 -0.232 0.000 0.770 1381 K HN 0.139 nan 8.250 nan 0.000 0.480 1382 F N -0.513 119.471 119.950 0.057 0.000 2.532 1382 F HA 0.105 4.631 4.527 -0.002 0.000 0.278 1382 F C 2.459 178.297 175.800 0.063 0.000 0.975 1382 F CA 0.046 58.082 58.000 0.060 0.000 1.292 1382 F CB -0.165 38.875 39.000 0.067 0.000 1.112 1382 F HN -0.082 nan 8.300 nan 0.000 0.703 1383 A N 0.884 123.868 122.820 0.272 0.000 1.881 1383 A HA -0.302 4.017 4.320 -0.002 0.000 0.219 1383 A C 1.708 179.390 177.584 0.164 0.000 1.215 1383 A CA 2.713 54.849 52.037 0.166 0.000 0.648 1383 A CB -1.088 17.980 19.000 0.114 0.000 0.832 1383 A HN 0.380 nan 8.150 nan 0.000 0.455 1384 D N -0.477 120.012 120.400 0.149 0.000 2.084 1384 D HA -0.135 4.504 4.640 -0.002 0.000 0.194 1384 D C 1.670 178.068 176.300 0.163 0.000 0.990 1384 D CA 1.452 55.548 54.000 0.160 0.000 0.826 1384 D CB -0.703 40.162 40.800 0.109 0.000 0.971 1384 D HN 0.491 nan 8.370 nan 0.000 0.453 1385 D N 0.287 120.768 120.400 0.135 0.000 2.203 1385 D HA -0.154 4.485 4.640 -0.002 0.000 0.199 1385 D C 1.912 178.299 176.300 0.144 0.000 0.997 1385 D CA 0.681 54.754 54.000 0.121 0.000 0.863 1385 D CB -0.184 40.690 40.800 0.124 0.000 0.928 1385 D HN 0.210 nan 8.370 nan 0.000 0.458 1386 L N -0.905 120.427 121.223 0.182 0.000 2.375 1386 L HA -0.072 4.267 4.340 -0.002 0.000 0.215 1386 L C 2.066 179.054 176.870 0.197 0.000 1.108 1386 L CA 0.216 55.154 54.840 0.165 0.000 0.830 1386 L CB -0.230 41.919 42.059 0.150 0.000 0.959 1386 L HN 0.081 nan 8.230 nan 0.000 0.457 1387 Y N 1.106 121.439 120.300 0.055 0.000 2.243 1387 Y HA -0.127 4.422 4.550 -0.002 0.000 0.293 1387 Y C 2.372 178.293 175.900 0.034 0.000 1.124 1387 Y CA 1.090 59.215 58.100 0.041 0.000 1.159 1387 Y CB -0.049 38.434 38.460 0.038 0.000 1.008 1387 Y HN 0.154 nan 8.280 nan 0.000 0.527 1388 E N 0.228 120.390 120.200 -0.065 0.000 2.051 1388 E HA -0.211 4.137 4.350 -0.002 0.000 0.192 1388 E C 1.747 178.280 176.600 -0.112 0.000 0.991 1388 E CA 1.353 57.656 56.400 -0.162 0.000 0.799 1388 E CB -0.167 29.499 29.700 -0.058 0.000 0.748 1388 E HN 0.416 nan 8.360 nan 0.000 0.449 1389 K N -0.299 120.087 120.400 -0.024 0.000 2.574 1389 K HA -0.039 4.280 4.320 -0.002 0.000 0.193 1389 K C 1.307 177.904 176.600 -0.005 0.000 1.035 1389 K CA 0.405 56.689 56.287 -0.004 0.000 0.982 1389 K CB 0.112 32.632 32.500 0.034 0.000 0.795 1389 K HN 0.306 nan 8.250 nan 0.000 0.491 1390 G N 0.635 109.418 108.800 -0.029 0.000 2.562 1390 G HA2 -0.417 3.542 3.960 -0.002 0.000 0.241 1390 G HA3 -0.417 3.542 3.960 -0.002 0.000 0.241 1390 G C 1.192 176.138 174.900 0.076 0.000 1.120 1390 G CA 0.615 45.716 45.100 0.002 0.000 0.673 1390 G HN 0.138 nan 8.290 nan 0.000 0.519 1391 V N 1.651 121.604 119.914 0.064 0.000 2.242 1391 V HA -0.373 3.746 4.120 -0.002 0.000 0.257 1391 V C 2.776 178.929 176.094 0.098 0.000 1.073 1391 V CA 3.007 65.349 62.300 0.071 0.000 1.058 1391 V CB -0.855 31.007 31.823 0.065 0.000 0.664 1391 V HN 0.621 nan 8.190 nan 0.000 0.451 1392 L N -0.229 121.074 121.223 0.133 0.000 1.978 1392 L HA -0.308 4.031 4.340 -0.002 0.000 0.218 1392 L C 2.632 179.589 176.870 0.146 0.000 1.075 1392 L CA 2.355 57.279 54.840 0.140 0.000 0.767 1392 L CB -0.770 41.399 42.059 0.184 0.000 0.890 1392 L HN 0.406 nan 8.230 nan 0.000 0.434 1393 A N -0.165 122.788 122.820 0.222 0.000 1.944 1393 A HA -0.387 3.932 4.320 -0.002 0.000 0.222 1393 A C 1.866 179.516 177.584 0.110 0.000 1.237 1393 A CA 2.474 54.629 52.037 0.196 0.000 0.668 1393 A CB -1.122 18.010 19.000 0.220 0.000 0.830 1393 A HN 0.676 nan 8.150 nan 0.000 0.471 1394 D N -0.140 120.312 120.400 0.088 0.000 2.126 1394 D HA -0.201 4.438 4.640 -0.002 0.000 0.190 1394 D C 1.903 178.242 176.300 0.066 0.000 1.001 1394 D CA 1.786 55.820 54.000 0.056 0.000 0.841 1394 D CB -0.450 40.376 40.800 0.043 0.000 0.949 1394 D HN 0.546 nan 8.370 nan 0.000 0.446 1395 L N 1.039 122.327 121.223 0.109 0.000 2.187 1395 L HA -0.167 4.172 4.340 -0.002 0.000 0.213 1395 L C 2.254 179.229 176.870 0.174 0.000 1.100 1395 L CA 0.928 55.885 54.840 0.197 0.000 0.765 1395 L CB -0.506 41.667 42.059 0.189 0.000 0.904 1395 L HN 0.035 nan 8.230 nan 0.000 0.437 1396 E N 0.380 120.640 120.200 0.099 0.000 2.267 1396 E HA -0.131 4.218 4.350 -0.002 0.000 0.197 1396 E C 0.519 177.161 176.600 0.070 0.000 0.998 1396 E CA 0.895 57.338 56.400 0.071 0.000 0.830 1396 E CB 0.117 29.850 29.700 0.055 0.000 0.751 1396 E HN 0.552 nan 8.360 nan 0.000 0.491 1397 K N -1.710 118.723 120.400 0.056 0.000 2.312 1397 K HA 0.568 4.886 4.320 -0.002 0.000 0.236 1397 K C 0.524 177.097 176.600 -0.046 0.000 1.079 1397 K CA -0.057 56.236 56.287 0.009 0.000 0.900 1397 K CB 1.338 33.831 32.500 -0.012 0.000 1.297 1397 K HN -0.105 nan 8.250 nan 0.000 0.498 1398 A N -0.170 122.564 122.820 -0.143 0.000 4.159 1398 A HA -0.227 4.092 4.320 -0.002 0.000 0.263 1398 A C -0.105 177.139 177.584 -0.567 0.000 0.889 1398 A CA 1.611 53.425 52.037 -0.371 0.000 1.227 1398 A CB -1.978 16.736 19.000 -0.478 0.000 1.051 1398 A HN 0.508 nan 8.150 nan 0.000 0.820 1399 F N -0.932 119.000 119.950 -0.031 0.000 2.659 1399 F HA 0.645 5.171 4.527 -0.002 0.000 0.342 1399 F C 0.247 176.024 175.800 -0.038 0.000 1.168 1399 F CA 0.138 58.114 58.000 -0.040 0.000 1.003 1399 F CB 2.055 41.025 39.000 -0.049 0.000 1.267 1399 F HN 0.757 nan 8.300 nan 0.000 0.463 1400 A N 1.748 124.647 122.820 0.131 0.000 2.610 1400 A HA 0.875 5.194 4.320 -0.002 0.000 0.291 1400 A C -0.913 176.693 177.584 0.036 0.000 1.086 1400 A CA -0.518 51.557 52.037 0.064 0.000 0.677 1400 A CB 0.765 19.786 19.000 0.034 0.000 1.278 1400 A HN 0.901 nan 8.150 nan 0.000 0.414 1401 A N 0.613 123.442 122.820 0.016 0.000 2.433 1401 A HA 0.588 4.907 4.320 -0.002 0.000 0.250 1401 A C 0.543 178.125 177.584 -0.003 0.000 1.113 1401 A CA 0.173 52.211 52.037 0.001 0.000 0.794 1401 A CB 0.049 19.044 19.000 -0.007 0.000 1.067 1401 A HN 0.792 nan 8.150 nan 0.000 0.510 1402 R N -0.698 119.796 120.500 -0.010 0.000 2.944 1402 R HA 0.654 4.992 4.340 -0.002 0.000 0.233 1402 R C -0.164 176.128 176.300 -0.014 0.000 1.346 1402 R CA -0.510 55.581 56.100 -0.014 0.000 1.082 1402 R CB 0.625 30.912 30.300 -0.021 0.000 1.434 1402 R HN 0.927 nan 8.270 nan 0.000 0.510 1403 E N -0.247 119.945 120.200 -0.014 0.000 4.448 1403 E HA 0.403 4.752 4.350 -0.002 0.000 0.159 1403 E C -0.161 176.432 176.600 -0.011 0.000 1.117 1403 E CA -0.742 55.651 56.400 -0.012 0.000 0.873 1403 E CB 0.651 30.345 29.700 -0.010 0.000 1.896 1403 E HN 0.239 nan 8.360 nan 0.000 0.412 1404 I N 1.632 122.196 120.570 -0.009 0.000 2.575 1404 I HA 0.099 4.268 4.170 -0.002 0.000 0.285 1404 I C 0.846 176.957 176.117 -0.010 0.000 1.085 1404 I CA 0.790 62.085 61.300 -0.008 0.000 1.403 1404 I CB 0.625 38.622 38.000 -0.006 0.000 1.409 1404 I HN 0.499 nan 8.210 nan 0.000 0.557 1405 K N 3.140 123.535 120.400 -0.008 0.000 2.195 1405 K HA -0.006 4.313 4.320 -0.002 0.000 0.153 1405 K C 0.583 177.179 176.600 -0.006 0.000 1.989 1405 K CA 0.791 57.072 56.287 -0.011 0.000 1.067 1405 K CB 0.192 32.683 32.500 -0.016 0.000 1.964 1405 K HN 0.921 nan 8.250 nan 0.000 0.482 1406 S N 0.399 116.098 115.700 -0.002 0.000 2.970 1406 S HA -0.333 4.136 4.470 -0.002 0.000 0.626 1406 S C 0.996 175.600 174.600 0.007 0.000 3.107 1406 S CA 1.201 59.404 58.200 0.004 0.000 3.861 1406 S CB -1.184 62.019 63.200 0.005 0.000 0.359 1406 S HN 0.232 nan 8.310 nan 0.000 1.476 1407 L N 1.293 122.522 121.223 0.010 0.000 2.035 1407 L HA 0.479 4.818 4.340 -0.002 0.000 0.207 1407 L C 2.000 178.876 176.870 0.010 0.000 1.173 1407 L CA 0.417 55.265 54.840 0.014 0.000 0.852 1407 L CB -1.317 40.753 42.059 0.018 0.000 0.946 1407 L HN 1.813 nan 8.230 nan 0.000 0.483 1408 A N 0.936 123.764 122.820 0.013 0.000 2.648 1408 A HA -0.147 4.172 4.320 -0.002 0.000 0.297 1408 A C 0.719 178.315 177.584 0.020 0.000 1.467 1408 A CA 0.365 52.411 52.037 0.015 0.000 0.731 1408 A CB -2.247 16.757 19.000 0.006 0.000 1.085 1408 A HN 0.616 nan 8.150 nan 0.000 0.437 1409 S N 0.627 116.344 115.700 0.028 0.000 3.211 1409 S HA -0.025 4.444 4.470 -0.002 0.000 0.375 1409 S C 1.403 176.042 174.600 0.065 0.000 0.945 1409 S CA 0.461 58.685 58.200 0.040 0.000 1.951 1409 S CB 0.069 63.294 63.200 0.042 0.000 1.183 1409 S HN 0.633 nan 8.310 nan 0.000 0.649 1410 K N 2.826 123.256 120.400 0.049 0.000 2.206 1410 K HA -0.289 4.029 4.320 -0.002 0.000 0.211 1410 K C 1.160 177.961 176.600 0.335 0.000 1.047 1410 K CA 2.104 58.441 56.287 0.083 0.000 0.933 1410 K CB -0.549 31.867 32.500 -0.140 0.000 0.721 1410 K HN 0.969 nan 8.250 nan 0.000 0.471 1411 E N -3.138 117.225 120.200 0.272 0.000 4.289 1411 E HA -0.159 4.189 4.350 -0.002 0.000 0.375 1411 E C -0.302 176.422 176.600 0.207 0.000 0.624 1411 E CA 0.474 56.992 56.400 0.197 0.000 1.443 1411 E CB -1.233 28.547 29.700 0.133 0.000 1.807 1411 E HN 0.109 nan 8.360 nan 0.000 0.378 1418 I N 0.328 120.838 120.570 -0.100 0.000 3.133 1418 I HA 0.664 4.832 4.170 -0.002 0.000 0.311 1418 I C 0.051 176.000 176.117 -0.281 0.000 1.072 1418 I CA -0.623 60.539 61.300 -0.231 0.000 1.015 1418 I CB 2.083 39.844 38.000 -0.397 0.000 1.233 1418 I HN 0.446 nan 8.210 nan 0.000 0.473 1419 T N 1.548 115.862 114.554 -0.399 0.000 3.105 1419 T HA 0.421 4.769 4.350 -0.002 0.000 0.321 1419 T C -0.337 174.150 174.700 -0.355 0.000 1.135 1419 T CA -0.196 61.746 62.100 -0.263 0.000 1.053 1419 T CB 0.840 69.635 68.868 -0.122 0.000 1.133 1419 T HN 0.296 nan 8.240 nan 0.000 0.463 1420 F N 0.683 120.577 119.950 -0.093 0.000 2.720 1420 F HA 0.423 4.949 4.527 -0.002 0.000 0.301 1420 F C 0.796 176.570 175.800 -0.042 0.000 1.103 1420 F CA -0.448 57.502 58.000 -0.083 0.000 1.291 1420 F CB -0.027 38.878 39.000 -0.159 0.000 1.086 1420 F HN 0.241 nan 8.300 nan 0.000 0.592 1421 L N 0.385 121.688 121.223 0.133 0.000 2.452 1421 L HA 0.182 4.521 4.340 -0.002 0.000 0.267 1421 L C 0.908 177.784 176.870 0.011 0.000 1.188 1421 L CA -0.376 54.471 54.840 0.012 0.000 0.821 1421 L CB 0.310 42.298 42.059 -0.118 0.000 1.102 1421 L HN -0.063 nan 8.230 nan 0.000 0.470 1422 S N 1.277 116.985 115.700 0.013 0.000 2.558 1422 S HA 0.003 4.471 4.470 -0.002 0.000 0.287 1422 S C 1.253 175.864 174.600 0.019 0.000 1.321 1422 S CA -0.385 57.830 58.200 0.024 0.000 1.048 1422 S CB 0.505 63.726 63.200 0.035 0.000 0.844 1422 S HN 0.529 nan 8.310 nan 0.000 0.512 1423 R N 1.207 121.716 120.500 0.017 0.000 2.152 1423 R HA -0.119 4.220 4.340 -0.002 0.000 0.232 1423 R C 1.753 178.072 176.300 0.031 0.000 1.117 1423 R CA 1.046 57.155 56.100 0.014 0.000 0.981 1423 R CB -0.281 30.023 30.300 0.007 0.000 0.870 1423 R HN 0.682 nan 8.270 nan 0.000 0.451 1424 D N 1.314 121.736 120.400 0.037 0.000 2.095 1424 D HA -0.179 4.460 4.640 -0.002 0.000 0.192 1424 D C 1.901 178.250 176.300 0.081 0.000 0.990 1424 D CA 1.325 55.355 54.000 0.050 0.000 0.836 1424 D CB 0.051 40.881 40.800 0.050 0.000 0.979 1424 D HN -0.059 nan 8.370 nan 0.000 0.447 1425 I N 0.969 121.598 120.570 0.099 0.000 2.068 1425 I HA -0.281 3.888 4.170 -0.002 0.000 0.238 1425 I C 2.712 178.983 176.117 0.257 0.000 1.046 1425 I CA 1.119 62.530 61.300 0.184 0.000 1.306 1425 I CB -1.759 36.321 38.000 0.134 0.000 1.023 1425 I HN 0.062 nan 8.210 nan 0.000 0.399 1426 S N -0.276 115.502 115.700 0.130 0.000 2.421 1426 S HA -0.328 4.141 4.470 -0.002 0.000 0.239 1426 S C 2.026 176.712 174.600 0.143 0.000 1.054 1426 S CA 2.201 60.455 58.200 0.091 0.000 1.035 1426 S CB -0.253 62.952 63.200 0.009 0.000 0.840 1426 S HN 0.541 nan 8.310 nan 0.000 0.475 1427 Q N 0.043 119.911 119.800 0.114 0.000 2.049 1427 Q HA -0.087 4.252 4.340 -0.002 0.000 0.198 1427 Q C 2.339 178.379 176.000 0.066 0.000 0.971 1427 Q CA 1.507 57.353 55.803 0.072 0.000 0.833 1427 Q CB -0.158 28.605 28.738 0.040 0.000 0.896 1427 Q HN 0.657 nan 8.270 nan 0.000 0.434 1428 Q N -0.675 119.171 119.800 0.077 0.000 2.181 1428 Q HA -0.189 4.149 4.340 -0.002 0.000 0.205 1428 Q C 1.781 177.638 176.000 -0.238 0.000 0.980 1428 Q CA 1.334 57.088 55.803 -0.081 0.000 0.862 1428 Q CB -0.132 28.597 28.738 -0.014 0.000 0.905 1428 Q HN 0.373 nan 8.270 nan 0.000 0.429 1429 F N 0.004 119.922 119.950 -0.052 0.000 2.234 1429 F HA -0.053 4.473 4.527 -0.002 0.000 0.299 1429 F C 2.314 178.091 175.800 -0.039 0.000 1.087 1429 F CA 1.259 59.261 58.000 0.002 0.000 1.340 1429 F CB -0.472 38.612 39.000 0.141 0.000 1.031 1429 F HN 0.119 nan 8.300 nan 0.000 0.500 1430 G N -0.214 108.680 108.800 0.157 0.000 2.408 1430 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.215 1430 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.215 1430 G C 1.616 176.547 174.900 0.052 0.000 1.156 1430 G CA 0.511 45.672 45.100 0.101 0.000 0.793 1430 G HN 0.241 nan 8.290 nan 0.000 0.535 1431 I N 0.850 121.402 120.570 -0.031 0.000 2.402 1431 I HA -0.096 4.073 4.170 -0.002 0.000 0.221 1431 I C 2.315 178.406 176.117 -0.043 0.000 1.059 1431 I CA 1.009 62.255 61.300 -0.090 0.000 1.371 1431 I CB -0.664 37.252 38.000 -0.140 0.000 1.182 1431 I HN 0.044 nan 8.210 nan 0.000 0.403 1432 N N 0.568 119.120 118.700 -0.247 0.000 2.310 1432 N HA -0.203 4.536 4.740 -0.002 0.000 0.193 1432 N C 0.961 176.409 175.510 -0.102 0.000 1.001 1432 N CA 1.162 54.023 53.050 -0.314 0.000 0.890 1432 N CB -0.197 37.688 38.487 -1.003 0.000 0.972 1432 N HN 0.324 nan 8.380 nan 0.000 0.445 1433 L N 0.148 121.356 121.223 -0.025 0.000 3.066 1433 L HA 0.152 4.490 4.340 -0.002 0.000 0.265 1433 L C 1.294 178.291 176.870 0.212 0.000 1.232 1433 L CA -0.296 54.615 54.840 0.117 0.000 1.031 1433 L CB -0.082 42.034 42.059 0.095 0.000 1.379 1433 L HN 0.386 nan 8.230 nan 0.000 0.563 1434 H N 0.517 119.635 119.070 0.079 0.000 2.387 1434 H HA -0.190 4.365 4.556 -0.002 0.000 0.299 1434 H C 1.974 177.347 175.328 0.074 0.000 1.090 1434 H CA 1.451 57.540 56.048 0.069 0.000 1.332 1434 H CB -0.437 29.338 29.762 0.022 0.000 1.386 1434 H HN 0.391 nan 8.280 nan 0.000 0.516 1435 M N -0.294 119.012 119.600 -0.490 0.000 2.623 1435 M HA -0.089 4.389 4.480 -0.002 0.000 0.258 1435 M C 0.146 176.222 176.300 -0.373 0.000 1.067 1435 M CA 1.099 56.140 55.300 -0.432 0.000 1.068 1435 M CB -1.564 30.710 32.600 -0.543 0.000 1.409 1435 M HN 0.234 nan 8.290 nan 0.000 0.504 1436 Y N 0.063 120.318 120.300 -0.074 0.000 2.660 1436 Y HA 0.390 4.939 4.550 -0.002 0.000 0.254 1436 Y C 2.004 177.906 175.900 0.003 0.000 1.176 1436 Y CA -0.252 57.832 58.100 -0.026 0.000 1.195 1436 Y CB -0.159 38.288 38.460 -0.021 0.000 1.190 1436 Y HN 0.207 nan 8.280 nan 0.000 0.535 1437 S N 0.049 115.821 115.700 0.121 0.000 2.383 1437 S HA -0.229 4.240 4.470 -0.002 0.000 0.229 1437 S C 2.169 176.814 174.600 0.074 0.000 1.030 1437 S CA 1.905 60.165 58.200 0.101 0.000 1.002 1437 S CB -0.375 62.877 63.200 0.087 0.000 0.829 1437 S HN 0.651 nan 8.310 nan 0.000 0.467 1438 S N 0.714 116.443 115.700 0.049 0.000 2.469 1438 S HA 0.019 4.488 4.470 -0.002 0.000 0.238 1438 S C 0.415 175.044 174.600 0.049 0.000 0.998 1438 S CA 0.418 58.639 58.200 0.035 0.000 0.957 1438 S CB -0.499 62.706 63.200 0.008 0.000 0.764 1438 S HN 0.174 nan 8.310 nan 0.000 0.514 1439 L N 2.277 123.546 121.223 0.078 0.000 2.360 1439 L HA 0.501 4.840 4.340 -0.002 0.000 0.271 1439 L C 0.545 177.456 176.870 0.069 0.000 1.057 1439 L CA -0.418 54.471 54.840 0.082 0.000 0.803 1439 L CB 1.184 43.318 42.059 0.124 0.000 1.207 1439 L HN 0.169 nan 8.230 nan 0.000 0.445 1440 S N -0.125 115.608 115.700 0.054 0.000 2.565 1440 S HA 0.331 4.800 4.470 -0.002 0.000 0.274 1440 S C 1.311 175.934 174.600 0.038 0.000 1.309 1440 S CA -0.810 57.417 58.200 0.044 0.000 1.043 1440 S CB 1.129 64.353 63.200 0.039 0.000 0.939 1440 S HN 0.364 nan 8.310 nan 0.000 0.504 1441 V N 2.895 122.828 119.914 0.032 0.000 2.236 1441 V HA -0.345 3.774 4.120 -0.002 0.000 0.255 1441 V C 2.999 179.102 176.094 0.015 0.000 1.068 1441 V CA 2.602 64.913 62.300 0.020 0.000 1.044 1441 V CB -2.157 29.677 31.823 0.018 0.000 0.653 1441 V HN 1.066 nan 8.190 nan 0.000 0.448 1442 A N 0.274 123.112 122.820 0.030 0.000 1.859 1442 A HA -0.341 3.978 4.320 -0.002 0.000 0.217 1442 A C 1.904 179.504 177.584 0.027 0.000 1.198 1442 A CA 2.584 54.644 52.037 0.039 0.000 0.629 1442 A CB -1.055 17.976 19.000 0.053 0.000 0.830 1442 A HN 0.596 nan 8.150 nan 0.000 0.446 1443 D N -1.434 118.985 120.400 0.031 0.000 2.378 1443 D HA 0.019 4.657 4.640 -0.002 0.000 0.222 1443 D C 1.482 177.794 176.300 0.020 0.000 0.980 1443 D CA 0.442 54.461 54.000 0.031 0.000 0.907 1443 D CB 0.107 40.933 40.800 0.043 0.000 0.899 1443 D HN 0.352 nan 8.370 nan 0.000 0.527 1444 L N -0.207 121.015 121.223 -0.002 0.000 2.189 1444 L HA 0.016 4.355 4.340 -0.002 0.000 0.199 1444 L C 2.125 178.922 176.870 -0.121 0.000 1.074 1444 L CA 0.721 55.532 54.840 -0.048 0.000 0.783 1444 L CB -0.520 41.514 42.059 -0.041 0.000 0.955 1444 L HN 0.053 nan 8.230 nan 0.000 0.460 1445 V N -1.874 117.977 119.914 -0.105 0.000 2.469 1445 V HA -0.278 3.840 4.120 -0.002 0.000 0.251 1445 V C 2.509 178.509 176.094 -0.158 0.000 1.064 1445 V CA 2.147 64.355 62.300 -0.154 0.000 1.066 1445 V CB -1.322 30.419 31.823 -0.137 0.000 0.667 1445 V HN 0.532 nan 8.190 nan 0.000 0.461 1446 K N 0.775 121.119 120.400 -0.094 0.000 2.057 1446 K HA -0.248 4.071 4.320 -0.002 0.000 0.207 1446 K C 2.310 178.876 176.600 -0.056 0.000 1.049 1446 K CA 1.937 58.187 56.287 -0.062 0.000 0.931 1446 K CB -0.191 32.304 32.500 -0.008 0.000 0.714 1446 K HN 0.424 nan 8.250 nan 0.000 0.440 1447 K N 0.868 121.230 120.400 -0.063 0.000 2.152 1447 K HA -0.071 4.248 4.320 -0.002 0.000 0.206 1447 K C 1.721 178.242 176.600 -0.131 0.000 1.048 1447 K CA 1.299 57.556 56.287 -0.050 0.000 0.933 1447 K CB -0.038 32.437 32.500 -0.042 0.000 0.721 1447 K HN 0.216 nan 8.250 nan 0.000 0.447 1448 I N -0.499 119.909 120.570 -0.270 0.000 2.385 1448 I HA -0.160 4.009 4.170 -0.002 0.000 0.244 1448 I C 1.838 177.936 176.117 -0.033 0.000 1.089 1448 I CA 0.446 61.528 61.300 -0.364 0.000 1.410 1448 I CB -0.091 37.633 38.000 -0.460 0.000 1.117 1448 I HN 0.060 nan 8.210 nan 0.000 0.429 1449 L N 0.669 121.848 121.223 -0.073 0.000 2.089 1449 L HA -0.288 4.050 4.340 -0.002 0.000 0.213 1449 L C 1.989 178.859 176.870 -0.001 0.000 1.079 1449 L CA 1.684 56.489 54.840 -0.059 0.000 0.758 1449 L CB -0.798 41.126 42.059 -0.224 0.000 0.891 1449 L HN 0.359 nan 8.230 nan 0.000 0.433 1450 N N -0.919 117.790 118.700 0.015 0.000 2.463 1450 N HA -0.055 4.684 4.740 -0.002 0.000 0.181 1450 N C 0.328 175.894 175.510 0.093 0.000 1.078 1450 N CA 0.287 53.364 53.050 0.046 0.000 0.902 1450 N CB 0.047 38.560 38.487 0.042 0.000 0.970 1450 N HN 0.315 nan 8.380 nan 0.000 0.451 1451 C N 1.968 121.376 119.300 0.180 0.000 3.873 1451 C HA -0.148 4.311 4.460 -0.002 0.000 0.302 1451 C C -0.783 174.332 174.990 0.208 0.000 1.266 1451 C CA -0.803 58.377 59.018 0.270 0.000 2.185 1451 C CB -2.538 25.264 27.740 0.104 0.000 1.380 1451 C HN 0.405 nan 8.230 nan 0.000 0.623 1452 D N 0.244 120.809 120.400 0.275 0.000 2.424 1452 D HA 0.082 4.720 4.640 -0.002 0.000 0.244 1452 D C 1.351 177.764 176.300 0.189 0.000 1.134 1452 D CA -0.097 54.022 54.000 0.198 0.000 0.881 1452 D CB 0.560 41.478 40.800 0.197 0.000 1.191 1452 D HN 0.577 nan 8.370 nan 0.000 0.445 1453 R N 2.353 122.919 120.500 0.109 0.000 2.196 1453 R HA -0.257 4.082 4.340 -0.002 0.000 0.244 1453 R C 1.454 177.812 176.300 0.095 0.000 1.121 1453 R CA 2.513 58.657 56.100 0.073 0.000 0.930 1453 R CB -0.216 30.117 30.300 0.055 0.000 0.890 1453 R HN 0.616 nan 8.270 nan 0.000 0.435 1454 D N -0.442 120.035 120.400 0.128 0.000 2.271 1454 D HA -0.225 4.414 4.640 -0.002 0.000 0.207 1454 D C 1.836 178.292 176.300 0.259 0.000 0.983 1454 D CA 1.117 55.204 54.000 0.145 0.000 0.878 1454 D CB -0.534 40.334 40.800 0.113 0.000 0.920 1454 D HN 0.359 nan 8.370 nan 0.000 0.479 1455 F N 1.821 121.856 119.950 0.142 0.000 2.118 1455 F HA 0.070 4.596 4.527 -0.002 0.000 0.293 1455 F C 2.149 178.003 175.800 0.091 0.000 1.102 1455 F CA 0.616 58.708 58.000 0.154 0.000 1.247 1455 F CB -0.757 38.302 39.000 0.097 0.000 1.017 1455 F HN -0.151 nan 8.300 nan 0.000 0.475 1456 L N 0.241 121.258 121.223 -0.343 0.000 2.131 1456 L HA -0.186 4.153 4.340 -0.002 0.000 0.210 1456 L C 2.055 178.813 176.870 -0.186 0.000 1.092 1456 L CA 1.221 55.784 54.840 -0.461 0.000 0.759 1456 L CB -0.818 41.065 42.059 -0.293 0.000 0.903 1456 L HN 0.241 nan 8.230 nan 0.000 0.435 1457 Q N -0.566 119.201 119.800 -0.054 0.000 2.373 1457 Q HA 0.037 4.376 4.340 -0.002 0.000 0.206 1457 Q C -0.175 175.839 176.000 0.024 0.000 0.942 1457 Q CA 0.267 56.065 55.803 -0.008 0.000 0.953 1457 Q CB 0.143 28.889 28.738 0.014 0.000 1.022 1457 Q HN 0.323 nan 8.270 nan 0.000 0.502 1458 T N 1.192 115.773 114.554 0.045 0.000 3.060 1458 T HA 0.189 4.538 4.350 -0.002 0.000 0.367 1458 T C -2.147 172.613 174.700 0.101 0.000 1.229 1458 T CA -1.374 60.787 62.100 0.103 0.000 1.104 1458 T CB 1.495 70.483 68.868 0.201 0.000 1.083 1458 T HN -0.059 nan 8.240 nan 0.000 0.524 1459 P HA -0.147 nan 4.420 nan 0.000 0.215 1459 P C 1.770 179.136 177.300 0.110 0.000 1.157 1459 P CA 1.066 64.206 63.100 0.067 0.000 0.874 1459 P CB 0.108 31.838 31.700 0.051 0.000 0.790 1460 S N -0.629 115.142 115.700 0.117 0.000 2.399 1460 S HA -0.188 4.281 4.470 -0.002 0.000 0.235 1460 S C 1.944 176.659 174.600 0.192 0.000 1.063 1460 S CA 1.824 60.104 58.200 0.133 0.000 1.070 1460 S CB -1.535 61.741 63.200 0.127 0.000 0.904 1460 S HN -0.012 nan 8.310 nan 0.000 0.456 1461 V N 1.004 121.061 119.914 0.239 0.000 2.255 1461 V HA -0.093 4.026 4.120 -0.002 0.000 0.243 1461 V C 2.355 178.666 176.094 0.361 0.000 1.038 1461 V CA 1.349 63.854 62.300 0.341 0.000 1.008 1461 V CB -0.877 31.199 31.823 0.422 0.000 0.645 1461 V HN 0.358 nan 8.190 nan 0.000 0.449 1462 V N 0.245 120.328 119.914 0.282 0.000 2.332 1462 V HA -0.338 3.781 4.120 -0.002 0.000 0.248 1462 V C 2.517 178.683 176.094 0.120 0.000 1.055 1462 V CA 2.516 64.918 62.300 0.170 0.000 1.038 1462 V CB -0.609 31.213 31.823 -0.002 0.000 0.651 1462 V HN 0.696 nan 8.190 nan 0.000 0.450 1463 E N -0.524 119.753 120.200 0.127 0.000 2.085 1463 E HA -0.275 4.074 4.350 -0.002 0.000 0.194 1463 E C 2.093 178.780 176.600 0.146 0.000 0.994 1463 E CA 1.790 58.256 56.400 0.110 0.000 0.801 1463 E CB -0.226 29.541 29.700 0.112 0.000 0.743 1463 E HN 0.561 nan 8.360 nan 0.000 0.453 1464 F N 1.307 121.281 119.950 0.040 0.000 2.051 1464 F HA -0.105 4.421 4.527 -0.002 0.000 0.296 1464 F C 1.789 177.599 175.800 0.017 0.000 1.122 1464 F CA 1.354 59.355 58.000 0.003 0.000 1.201 1464 F CB -0.528 38.453 39.000 -0.032 0.000 0.978 1464 F HN -0.014 nan 8.300 nan 0.000 0.472 1465 L N -0.099 120.966 121.223 -0.262 0.000 2.651 1465 L HA -0.165 4.174 4.340 -0.002 0.000 0.236 1465 L C 1.572 178.438 176.870 -0.007 0.000 1.173 1465 L CA 0.995 55.707 54.840 -0.212 0.000 0.843 1465 L CB -0.675 41.484 42.059 0.166 0.000 0.964 1465 L HN 0.181 nan 8.230 nan 0.000 0.454 1466 S N -2.303 113.361 115.700 -0.060 0.000 2.578 1466 S HA 0.125 4.593 4.470 -0.002 0.000 0.228 1466 S C 0.561 175.150 174.600 -0.019 0.000 1.022 1466 S CA -0.388 57.791 58.200 -0.034 0.000 0.967 1466 S CB 0.438 63.610 63.200 -0.046 0.000 0.914 1466 S HN 0.220 nan 8.310 nan 0.000 0.515 1467 K N 2.670 123.052 120.400 -0.031 0.000 2.489 1467 K HA 0.041 4.360 4.320 -0.002 0.000 0.278 1467 K C 1.372 177.985 176.600 0.021 0.000 1.000 1467 K CA 0.265 56.558 56.287 0.011 0.000 1.012 1467 K CB 0.592 33.117 32.500 0.042 0.000 0.903 1467 K HN 0.349 nan 8.250 nan 0.000 0.485 1468 S N 2.981 118.702 115.700 0.036 0.000 2.378 1468 S HA -0.292 4.177 4.470 -0.002 0.000 0.221 1468 S C 1.665 176.302 174.600 0.062 0.000 1.037 1468 S CA 1.788 60.015 58.200 0.046 0.000 1.069 1468 S CB -0.503 62.723 63.200 0.043 0.000 1.006 1468 S HN 0.832 nan 8.310 nan 0.000 0.423 1469 E N 0.837 121.076 120.200 0.065 0.000 2.394 1469 E HA -0.161 4.188 4.350 -0.002 0.000 0.202 1469 E C 1.617 178.278 176.600 0.102 0.000 1.029 1469 E CA 1.176 57.624 56.400 0.080 0.000 0.855 1469 E CB -0.362 29.384 29.700 0.078 0.000 0.770 1469 E HN 0.563 nan 8.360 nan 0.000 0.527 1470 I N 0.331 120.952 120.570 0.085 0.000 3.339 1470 I HA 0.041 4.210 4.170 -0.002 0.000 0.285 1470 I C 2.220 178.442 176.117 0.175 0.000 1.201 1470 I CA 0.323 61.686 61.300 0.106 0.000 1.434 1470 I CB -0.301 37.636 38.000 -0.105 0.000 1.152 1470 I HN 0.212 nan 8.210 nan 0.000 0.443 1471 I N 0.581 121.218 120.570 0.112 0.000 2.339 1471 I HA -0.087 4.082 4.170 -0.002 0.000 0.245 1471 I C 0.700 176.878 176.117 0.103 0.000 1.096 1471 I CA 0.313 61.680 61.300 0.113 0.000 1.408 1471 I CB -0.154 37.933 38.000 0.145 0.000 1.092 1471 I HN 0.103 nan 8.210 nan 0.000 0.423 1472 E N 2.092 122.353 120.200 0.103 0.000 2.765 1472 E HA -0.017 4.332 4.350 -0.002 0.000 0.256 1472 E C -0.819 175.854 176.600 0.120 0.000 0.935 1472 E CA 0.139 56.595 56.400 0.093 0.000 0.954 1472 E CB 0.813 30.564 29.700 0.084 0.000 0.908 1472 E HN 0.033 nan 8.360 nan 0.000 0.500 1473 V N 3.802 123.773 119.914 0.095 0.000 2.407 1473 V HA 0.085 4.204 4.120 -0.002 0.000 0.291 1473 V C 0.183 176.333 176.094 0.094 0.000 1.018 1473 V CA -0.673 61.694 62.300 0.112 0.000 0.842 1473 V CB 1.719 33.572 31.823 0.050 0.000 0.996 1473 V HN 0.768 nan 8.190 nan 0.000 0.426 1474 S N 4.186 119.952 115.700 0.110 0.000 2.572 1474 S HA 0.244 4.712 4.470 -0.002 0.000 0.279 1474 S C 1.315 175.961 174.600 0.076 0.000 1.341 1474 S CA -0.473 57.779 58.200 0.086 0.000 1.043 1474 S CB 1.472 64.725 63.200 0.088 0.000 0.887 1474 S HN 0.440 nan 8.310 nan 0.000 0.516 1475 V N 2.526 122.476 119.914 0.059 0.000 2.250 1475 V HA -0.300 3.819 4.120 -0.002 0.000 0.250 1475 V C 2.534 178.655 176.094 0.047 0.000 1.060 1475 V CA 2.328 64.657 62.300 0.048 0.000 1.030 1475 V CB -1.419 30.429 31.823 0.041 0.000 0.643 1475 V HN 0.858 nan 8.190 nan 0.000 0.445 1476 N N 0.303 119.033 118.700 0.049 0.000 2.002 1476 N HA -0.220 4.519 4.740 -0.002 0.000 0.199 1476 N C 1.824 177.359 175.510 0.043 0.000 1.067 1476 N CA 1.894 54.970 53.050 0.043 0.000 0.870 1476 N CB -0.795 37.723 38.487 0.052 0.000 1.073 1476 N HN 0.327 nan 8.380 nan 0.000 0.432 1477 L N 1.407 122.678 121.223 0.081 0.000 2.123 1477 L HA -0.256 4.083 4.340 -0.002 0.000 0.217 1477 L C 2.266 179.243 176.870 0.178 0.000 1.081 1477 L CA 1.883 56.804 54.840 0.137 0.000 0.772 1477 L CB -0.994 41.203 42.059 0.231 0.000 0.890 1477 L HN 0.271 nan 8.230 nan 0.000 0.437 1478 A N -1.002 121.892 122.820 0.122 0.000 1.873 1478 A HA -0.240 4.079 4.320 -0.002 0.000 0.215 1478 A C 2.463 180.073 177.584 0.044 0.000 1.186 1478 A CA 1.638 53.733 52.037 0.097 0.000 0.616 1478 A CB -0.592 18.438 19.000 0.049 0.000 0.823 1478 A HN 0.480 nan 8.150 nan 0.000 0.442 1479 R N 0.176 120.677 120.500 0.001 0.000 2.112 1479 R HA -0.237 4.102 4.340 -0.002 0.000 0.242 1479 R C 1.963 178.204 176.300 -0.099 0.000 1.137 1479 R CA 2.361 58.439 56.100 -0.037 0.000 0.944 1479 R CB -0.563 29.724 30.300 -0.023 0.000 0.857 1479 R HN 0.707 nan 8.270 nan 0.000 0.435 1480 N N -1.285 117.297 118.700 -0.196 0.000 2.061 1480 N HA -0.218 4.521 4.740 -0.002 0.000 0.193 1480 N C 1.572 176.783 175.510 -0.498 0.000 1.030 1480 N CA 1.947 54.731 53.050 -0.443 0.000 0.856 1480 N CB -0.255 37.679 38.487 -0.922 0.000 1.023 1480 N HN 0.286 nan 8.380 nan 0.000 0.424 1481 Y N 0.874 120.991 120.300 -0.305 0.000 2.263 1481 Y HA -0.016 4.533 4.550 -0.002 0.000 0.292 1481 Y C 2.444 178.326 175.900 -0.030 0.000 1.130 1481 Y CA 0.642 58.694 58.100 -0.081 0.000 1.179 1481 Y CB -0.514 37.886 38.460 -0.100 0.000 0.998 1481 Y HN 0.049 nan 8.280 nan 0.000 0.532 1482 A N 1.003 123.840 122.820 0.028 0.000 1.935 1482 A HA -0.300 4.019 4.320 -0.002 0.000 0.224 1482 A C -0.162 177.322 177.584 -0.166 0.000 1.324 1482 A CA 2.598 54.583 52.037 -0.086 0.000 0.686 1482 A CB -2.057 16.874 19.000 -0.115 0.000 0.837 1482 A HN 0.329 nan 8.150 nan 0.000 0.481 1483 P HA -0.094 nan 4.420 nan 0.000 0.226 1483 P C 0.256 177.262 177.300 -0.490 0.000 1.146 1483 P CA 1.159 64.006 63.100 -0.422 0.000 0.773 1483 P CB -0.137 31.215 31.700 -0.580 0.000 0.772 1484 Y N -2.344 117.937 120.300 -0.031 0.000 2.453 1484 Y HA 0.160 4.708 4.550 -0.002 0.000 0.247 1484 Y C 1.826 177.717 175.900 -0.015 0.000 1.124 1484 Y CA -0.325 57.777 58.100 0.004 0.000 1.243 1484 Y CB -0.516 37.990 38.460 0.076 0.000 1.213 1484 Y HN -0.111 nan 8.280 nan 0.000 0.523 1485 S N -0.102 115.638 115.700 0.066 0.000 2.688 1485 S HA 0.383 4.851 4.470 -0.002 0.000 0.248 1485 S C 0.307 174.861 174.600 -0.077 0.000 1.361 1485 S CA 0.200 58.394 58.200 -0.009 0.000 0.979 1485 S CB 0.340 63.498 63.200 -0.069 0.000 0.947 1485 S HN 0.140 nan 8.310 nan 0.000 0.545 1486 T N -1.196 113.287 114.554 -0.119 0.000 2.770 1486 T HA 0.320 4.668 4.350 -0.002 0.000 0.323 1486 T C -0.151 174.440 174.700 -0.182 0.000 1.683 1486 T CA -0.580 61.369 62.100 -0.252 0.000 1.024 1486 T CB 1.763 70.326 68.868 -0.508 0.000 1.557 1486 T HN 0.622 nan 8.240 nan 0.000 0.494 1487 D N -1.024 119.246 120.400 -0.217 0.000 2.652 1487 D HA 0.104 4.743 4.640 -0.002 0.000 0.261 1487 D C 0.798 177.186 176.300 0.148 0.000 1.024 1487 D CA 0.816 54.823 54.000 0.012 0.000 0.958 1487 D CB 0.263 41.107 40.800 0.074 0.000 1.113 1487 D HN 0.807 nan 8.370 nan 0.000 0.471 1488 W N 0.933 122.272 121.300 0.065 0.000 1.134 1488 W HA -0.231 4.428 4.660 -0.002 0.000 0.226 1488 W C 0.017 176.566 176.519 0.049 0.000 0.941 1488 W CA 0.403 57.775 57.345 0.045 0.000 0.372 1488 W CB -1.431 28.084 29.460 0.092 0.000 1.939 1488 W HN 0.035 nan 8.180 nan 0.000 1.337 1489 E N 1.154 121.524 120.200 0.285 0.000 2.341 1489 E HA 0.323 4.672 4.350 -0.002 0.000 0.256 1489 E C 0.993 177.652 176.600 0.098 0.000 1.125 1489 E CA 0.977 57.475 56.400 0.163 0.000 0.939 1489 E CB -0.136 29.642 29.700 0.130 0.000 0.991 1489 E HN 0.354 nan 8.360 nan 0.000 0.458 1490 G N 2.203 111.045 108.800 0.070 0.000 2.207 1490 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.216 1490 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.216 1490 G C -0.258 174.681 174.900 0.066 0.000 1.053 1490 G CA -0.300 44.822 45.100 0.037 0.000 0.764 1490 G HN 0.406 nan 8.290 nan 0.000 0.495 1491 V N -0.329 119.655 119.914 0.117 0.000 2.569 1491 V HA 0.501 4.620 4.120 -0.002 0.000 0.301 1491 V C 0.940 177.109 176.094 0.126 0.000 1.044 1491 V CA -0.783 61.612 62.300 0.158 0.000 0.874 1491 V CB 1.619 33.633 31.823 0.318 0.000 1.002 1491 V HN 0.345 nan 8.190 nan 0.000 0.424 1492 R N 2.336 122.885 120.500 0.082 0.000 2.308 1492 R HA 0.312 4.651 4.340 -0.002 0.000 0.202 1492 R C 0.492 176.823 176.300 0.052 0.000 0.898 1492 R CA 0.162 56.291 56.100 0.050 0.000 1.046 1492 R CB 0.543 30.860 30.300 0.029 0.000 1.026 1492 R HN 0.729 nan 8.270 nan 0.000 0.512 1493 N N -0.090 118.661 118.700 0.084 0.000 2.242 1493 N HA 0.090 4.829 4.740 -0.002 0.000 0.292 1493 N C 0.046 175.648 175.510 0.152 0.000 1.125 1493 N CA -0.426 52.674 53.050 0.083 0.000 0.783 1493 N CB 1.699 40.226 38.487 0.066 0.000 1.558 1493 N HN -0.139 nan 8.380 nan 0.000 0.472 1494 L N 2.704 124.009 121.223 0.137 0.000 2.093 1494 L HA -0.093 4.245 4.340 -0.002 0.000 0.208 1494 L C 1.930 178.917 176.870 0.194 0.000 1.085 1494 L CA 2.121 57.098 54.840 0.229 0.000 0.755 1494 L CB -1.013 41.148 42.059 0.170 0.000 0.904 1494 L HN 0.788 nan 8.230 nan 0.000 0.435 1495 E N -1.393 118.879 120.200 0.119 0.000 2.204 1495 E HA -0.228 4.121 4.350 -0.002 0.000 0.194 1495 E C 1.274 177.910 176.600 0.059 0.000 0.989 1495 E CA 1.334 57.782 56.400 0.080 0.000 0.824 1495 E CB -0.254 29.482 29.700 0.059 0.000 0.756 1495 E HN 0.392 nan 8.360 nan 0.000 0.477 1496 D N 1.737 122.179 120.400 0.071 0.000 2.183 1496 D HA 0.034 4.673 4.640 -0.002 0.000 0.203 1496 D C 0.370 176.675 176.300 0.008 0.000 0.969 1496 D CA 1.182 55.208 54.000 0.042 0.000 0.842 1496 D CB -0.026 40.807 40.800 0.055 0.000 0.957 1496 D HN 0.331 nan 8.370 nan 0.000 0.484 1497 A N 0.673 123.495 122.820 0.003 0.000 2.444 1497 A HA 0.123 4.442 4.320 -0.002 0.000 0.287 1497 A C 0.951 178.450 177.584 -0.142 0.000 1.195 1497 A CA 0.025 51.961 52.037 -0.168 0.000 0.858 1497 A CB 0.174 18.858 19.000 -0.526 0.000 1.117 1497 A HN 0.051 nan 8.150 nan 0.000 0.521 1498 K N 2.167 122.498 120.400 -0.114 0.000 2.172 1498 K HA 0.093 4.412 4.320 -0.002 0.000 0.203 1498 K C -1.734 174.816 176.600 -0.084 0.000 1.040 1498 K CA 0.066 56.307 56.287 -0.076 0.000 0.974 1498 K CB -0.799 31.672 32.500 -0.048 0.000 0.857 1498 K HN 0.399 nan 8.250 nan 0.000 0.464 1499 P HA -0.056 nan 4.420 nan 0.000 0.235 1499 P C -2.336 174.922 177.300 -0.071 0.000 1.080 1499 P CA 0.039 63.100 63.100 -0.065 0.000 1.096 1499 P CB 0.276 31.950 31.700 -0.044 0.000 1.085 1500 P HA -0.059 nan 4.420 nan 0.000 0.217 1500 P C 0.588 177.873 177.300 -0.024 0.000 1.153 1500 P CA 0.754 63.840 63.100 -0.024 0.000 0.843 1500 P CB 0.239 31.940 31.700 0.001 0.000 0.794 1501 E N -2.467 117.709 120.200 -0.040 0.000 4.520 1501 E HA -0.192 4.156 4.350 -0.002 0.000 0.303 1501 E C 0.617 177.154 176.600 -0.106 0.000 0.697 1501 E CA 1.451 57.805 56.400 -0.076 0.000 1.710 1501 E CB -1.195 28.437 29.700 -0.114 0.000 1.812 1501 E HN 0.345 nan 8.360 nan 0.000 0.436 1502 K N -1.109 119.257 120.400 -0.057 0.000 1.609 1502 K HA 0.291 4.610 4.320 -0.002 0.000 0.286 1502 K C -1.538 175.125 176.600 0.105 0.000 0.772 1502 K CA -0.079 56.192 56.287 -0.026 0.000 0.371 1502 K CB 0.615 32.995 32.500 -0.199 0.000 2.803 1502 K HN -0.036 nan 8.250 nan 0.000 0.991 1503 D N 0.882 121.448 120.400 0.276 0.000 2.688 1503 D HA 0.192 4.830 4.640 -0.002 0.000 0.210 1503 D C -2.313 174.117 176.300 0.216 0.000 1.333 1503 D CA -1.129 52.998 54.000 0.211 0.000 0.920 1503 D CB 1.762 42.631 40.800 0.114 0.000 1.554 1503 D HN -0.014 nan 8.370 nan 0.000 0.579 1504 P HA -0.070 nan 4.420 nan 0.000 0.226 1504 P C 0.586 177.874 177.300 -0.021 0.000 1.153 1504 P CA 0.631 63.732 63.100 0.001 0.000 0.777 1504 P CB 0.297 32.026 31.700 0.048 0.000 0.794 1505 N N 0.266 118.979 118.700 0.021 0.000 2.430 1505 N HA -0.107 4.632 4.740 -0.002 0.000 0.186 1505 N C 0.785 176.295 175.510 0.000 0.000 1.032 1505 N CA 0.886 53.945 53.050 0.015 0.000 0.893 1505 N CB -0.479 38.025 38.487 0.030 0.000 0.957 1505 N HN 0.133 nan 8.380 nan 0.000 0.442 1506 D N -0.034 120.358 120.400 -0.013 0.000 2.325 1506 D HA 0.052 4.691 4.640 -0.002 0.000 0.234 1506 D C -0.170 176.080 176.300 -0.082 0.000 1.122 1506 D CA 0.389 54.375 54.000 -0.023 0.000 0.850 1506 D CB 0.316 41.120 40.800 0.007 0.000 0.921 1506 D HN 0.143 nan 8.370 nan 0.000 0.513 1507 L N 0.225 121.393 121.223 -0.090 0.000 2.333 1507 L HA 0.347 4.686 4.340 -0.002 0.000 0.263 1507 L C 0.563 177.404 176.870 -0.049 0.000 1.014 1507 L CA -0.725 54.057 54.840 -0.098 0.000 0.820 1507 L CB 1.624 43.618 42.059 -0.109 0.000 1.352 1507 L HN -0.207 nan 8.230 nan 0.000 0.421 1508 Q N 0.069 119.842 119.800 -0.046 0.000 2.312 1508 Q HA 0.193 4.532 4.340 -0.002 0.000 0.236 1508 Q C 0.860 176.840 176.000 -0.034 0.000 0.965 1508 Q CA -0.252 55.529 55.803 -0.035 0.000 0.894 1508 Q CB 1.704 30.416 28.738 -0.043 0.000 1.225 1508 Q HN 0.404 nan 8.270 nan 0.000 0.478 1509 R N 1.431 121.920 120.500 -0.020 0.000 2.133 1509 R HA -0.328 4.010 4.340 -0.002 0.000 0.245 1509 R C 1.775 178.045 176.300 -0.051 0.000 1.137 1509 R CA 2.295 58.389 56.100 -0.011 0.000 0.947 1509 R CB -0.577 29.733 30.300 0.017 0.000 0.865 1509 R HN 0.805 nan 8.270 nan 0.000 0.437 1510 A N 0.966 123.734 122.820 -0.087 0.000 1.849 1510 A HA -0.282 4.037 4.320 -0.002 0.000 0.216 1510 A C 1.827 179.206 177.584 -0.342 0.000 1.225 1510 A CA 2.286 54.170 52.037 -0.255 0.000 0.653 1510 A CB -1.285 17.585 19.000 -0.217 0.000 0.844 1510 A HN 0.585 nan 8.150 nan 0.000 0.453 1511 D N -0.631 119.665 120.400 -0.173 0.000 2.133 1511 D HA -0.209 4.430 4.640 -0.002 0.000 0.192 1511 D C 2.133 178.440 176.300 0.012 0.000 1.001 1511 D CA 1.785 55.787 54.000 0.004 0.000 0.844 1511 D CB -0.420 40.489 40.800 0.181 0.000 0.944 1511 D HN 0.635 nan 8.370 nan 0.000 0.447 1512 Q N -0.380 119.411 119.800 -0.015 0.000 2.133 1512 Q HA -0.185 4.154 4.340 -0.002 0.000 0.208 1512 Q C 2.126 178.095 176.000 -0.051 0.000 0.991 1512 Q CA 0.891 56.684 55.803 -0.017 0.000 0.867 1512 Q CB -0.057 28.673 28.738 -0.013 0.000 0.911 1512 Q HN 0.363 nan 8.270 nan 0.000 0.417 1513 I N -0.325 120.198 120.570 -0.078 0.000 2.072 1513 I HA -0.292 3.877 4.170 -0.002 0.000 0.235 1513 I C 2.229 178.277 176.117 -0.115 0.000 1.058 1513 I CA 1.433 62.693 61.300 -0.067 0.000 1.320 1513 I CB -1.565 36.450 38.000 0.025 0.000 1.047 1513 I HN 0.257 nan 8.210 nan 0.000 0.397 1514 Y N 1.650 121.743 120.300 -0.345 0.000 2.133 1514 Y HA -0.321 4.228 4.550 -0.002 0.000 0.279 1514 Y C 2.590 178.237 175.900 -0.422 0.000 1.209 1514 Y CA 2.247 60.130 58.100 -0.362 0.000 1.152 1514 Y CB -0.585 37.588 38.460 -0.479 0.000 0.961 1514 Y HN 0.182 nan 8.280 nan 0.000 0.512 1515 L N -0.348 120.657 121.223 -0.363 0.000 1.961 1515 L HA -0.231 4.108 4.340 -0.002 0.000 0.209 1515 L C 2.448 179.133 176.870 -0.308 0.000 1.075 1515 L CA 1.842 56.408 54.840 -0.457 0.000 0.749 1515 L CB -0.858 41.084 42.059 -0.194 0.000 0.890 1515 L HN 0.142 nan 8.230 nan 0.000 0.433 1516 Q N -0.105 119.600 119.800 -0.159 0.000 2.290 1516 Q HA -0.231 4.108 4.340 -0.002 0.000 0.211 1516 Q C 1.887 177.766 176.000 -0.203 0.000 0.991 1516 Q CA 2.068 57.825 55.803 -0.078 0.000 0.893 1516 Q CB -0.205 28.509 28.738 -0.041 0.000 0.913 1516 Q HN 0.607 nan 8.270 nan 0.000 0.428 1517 L N -1.779 119.193 121.223 -0.419 0.000 2.985 1517 L HA 0.050 4.389 4.340 -0.002 0.000 0.177 1517 L C 1.884 178.191 176.870 -0.939 0.000 1.387 1517 L CA 0.016 54.405 54.840 -0.753 0.000 0.982 1517 L CB -0.682 40.794 42.059 -0.971 0.000 1.376 1517 L HN 0.121 nan 8.230 nan 0.000 0.603 1518 M N -0.070 118.872 119.600 -1.098 0.000 2.623 1518 M HA -0.117 4.362 4.480 -0.002 0.000 0.258 1518 M C 1.624 177.502 176.300 -0.703 0.000 1.067 1518 M CA 1.013 55.741 55.300 -0.953 0.000 1.068 1518 M CB -0.698 31.407 32.600 -0.825 0.000 1.409 1518 M HN 0.096 nan 8.290 nan 0.000 0.504 1519 V N -0.486 119.025 119.914 -0.671 0.000 2.602 1519 V HA -0.022 4.096 4.120 -0.002 0.000 0.235 1519 V C 1.948 177.908 176.094 -0.223 0.000 1.087 1519 V CA 1.022 63.033 62.300 -0.481 0.000 1.117 1519 V CB -0.256 31.211 31.823 -0.593 0.000 0.820 1519 V HN 0.358 nan 8.190 nan 0.000 0.490 1520 N N 0.842 119.460 118.700 -0.136 0.000 2.244 1520 N HA -0.027 4.711 4.740 -0.002 0.000 0.183 1520 N C 1.275 176.873 175.510 0.147 0.000 1.016 1520 N CA 1.143 54.236 53.050 0.072 0.000 0.866 1520 N CB -0.069 38.567 38.487 0.247 0.000 0.980 1520 N HN 0.372 nan 8.380 nan 0.000 0.430 1521 L N 1.212 122.431 121.223 -0.006 0.000 2.848 1521 L HA 0.198 4.536 4.340 -0.002 0.000 0.240 1521 L C 1.794 178.590 176.870 -0.124 0.000 1.232 1521 L CA -0.071 54.730 54.840 -0.065 0.000 1.031 1521 L CB -0.098 41.816 42.059 -0.242 0.000 1.338 1521 L HN 0.099 nan 8.230 nan 0.000 0.509 1522 E N 0.710 120.879 120.200 -0.051 0.000 2.204 1522 E HA -0.178 4.171 4.350 -0.002 0.000 0.195 1522 E C 1.790 178.437 176.600 0.078 0.000 0.990 1522 E CA 1.244 57.633 56.400 -0.018 0.000 0.821 1522 E CB 0.255 29.934 29.700 -0.035 0.000 0.750 1522 E HN 0.433 nan 8.360 nan 0.000 0.477 1523 S N -0.501 115.292 115.700 0.155 0.000 2.440 1523 S HA -0.188 4.281 4.470 -0.002 0.000 0.240 1523 S C 0.842 175.667 174.600 0.375 0.000 1.014 1523 S CA 1.517 59.874 58.200 0.263 0.000 0.980 1523 S CB -0.282 63.126 63.200 0.347 0.000 0.775 1523 S HN 0.707 nan 8.310 nan 0.000 0.499 1524 Y N -5.174 115.237 120.300 0.184 0.000 2.922 1524 Y HA 0.334 4.883 4.550 -0.002 0.000 0.294 1524 Y C 1.135 177.088 175.900 0.089 0.000 0.979 1524 Y CA -1.260 56.927 58.100 0.144 0.000 1.228 1524 Y CB -0.824 37.760 38.460 0.206 0.000 1.425 1524 Y HN 0.126 nan 8.280 nan 0.000 0.588 1525 W N 3.003 124.058 121.300 -0.408 0.000 2.285 1525 W HA -0.238 4.421 4.660 -0.002 0.000 0.333 1525 W C 2.134 178.562 176.519 -0.152 0.000 1.290 1525 W CA 3.343 60.464 57.345 -0.373 0.000 1.234 1525 W CB -0.841 28.423 29.460 -0.327 0.000 1.154 1525 W HN 0.352 nan 8.180 nan 0.000 0.463 1526 G N 0.210 108.977 108.800 -0.055 0.000 2.606 1526 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.221 1526 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.221 1526 G C 1.467 176.263 174.900 -0.173 0.000 1.152 1526 G CA 1.904 46.935 45.100 -0.115 0.000 0.765 1526 G HN 0.409 nan 8.290 nan 0.000 0.595 1527 S N -0.257 115.391 115.700 -0.087 0.000 2.522 1527 S HA 0.058 4.527 4.470 -0.002 0.000 0.227 1527 S C 2.004 176.532 174.600 -0.120 0.000 0.986 1527 S CA 0.824 58.986 58.200 -0.062 0.000 0.929 1527 S CB 0.118 63.337 63.200 0.032 0.000 0.769 1527 S HN 0.555 nan 8.310 nan 0.000 0.529 1528 R N 1.200 121.572 120.500 -0.213 0.000 2.055 1528 R HA 0.107 4.446 4.340 -0.002 0.000 0.226 1528 R C 2.125 178.176 176.300 -0.414 0.000 1.135 1528 R CA 1.019 56.943 56.100 -0.295 0.000 0.959 1528 R CB -0.207 29.850 30.300 -0.404 0.000 0.854 1528 R HN 0.243 nan 8.270 nan 0.000 0.431 1529 M N 0.332 119.567 119.600 -0.609 0.000 2.132 1529 M HA -0.102 4.377 4.480 -0.002 0.000 0.263 1529 M C 2.298 178.432 176.300 -0.278 0.000 1.065 1529 M CA 1.389 56.394 55.300 -0.492 0.000 1.122 1529 M CB -0.824 31.419 32.600 -0.595 0.000 1.365 1529 M HN 0.190 nan 8.290 nan 0.000 0.411 1530 R N 0.030 120.393 120.500 -0.229 0.000 2.211 1530 R HA -0.134 4.205 4.340 -0.002 0.000 0.240 1530 R C 2.028 178.244 176.300 -0.140 0.000 1.144 1530 R CA 1.456 57.468 56.100 -0.147 0.000 0.992 1530 R CB -0.014 30.219 30.300 -0.111 0.000 0.869 1530 R HN 0.392 nan 8.270 nan 0.000 0.462 1531 A N 0.342 123.064 122.820 -0.163 0.000 1.864 1531 A HA -0.010 4.309 4.320 -0.002 0.000 0.213 1531 A C 1.980 179.469 177.584 -0.159 0.000 1.266 1531 A CA 0.343 52.289 52.037 -0.152 0.000 0.612 1531 A CB -0.630 18.280 19.000 -0.151 0.000 0.940 1531 A HN 0.246 nan 8.150 nan 0.000 0.463 1532 L N 0.628 121.740 121.223 -0.185 0.000 2.085 1532 L HA -0.310 4.029 4.340 -0.002 0.000 0.218 1532 L C 3.043 179.820 176.870 -0.155 0.000 1.080 1532 L CA 2.208 56.937 54.840 -0.184 0.000 0.776 1532 L CB -0.930 40.998 42.059 -0.218 0.000 0.891 1532 L HN 0.752 nan 8.230 nan 0.000 0.437 1533 T N -3.553 110.918 114.554 -0.138 0.000 2.665 1533 T HA -0.199 4.150 4.350 -0.002 0.000 0.268 1533 T C 1.729 176.399 174.700 -0.051 0.000 1.035 1533 T CA 1.672 63.719 62.100 -0.088 0.000 1.151 1533 T CB -0.831 67.995 68.868 -0.069 0.000 0.862 1533 T HN 0.135 nan 8.240 nan 0.000 0.438 1534 V N 1.414 121.287 119.914 -0.069 0.000 2.358 1534 V HA -0.099 4.020 4.120 -0.002 0.000 0.246 1534 V C 2.985 179.057 176.094 -0.037 0.000 1.047 1534 V CA 1.389 63.661 62.300 -0.046 0.000 1.035 1534 V CB -0.583 31.166 31.823 -0.124 0.000 0.658 1534 V HN 0.451 nan 8.190 nan 0.000 0.452 1535 V N 0.600 120.449 119.914 -0.109 0.000 2.660 1535 V HA -0.176 3.943 4.120 -0.002 0.000 0.257 1535 V C 1.379 177.476 176.094 0.005 0.000 1.088 1535 V CA 2.094 64.319 62.300 -0.125 0.000 1.106 1535 V CB -1.319 30.425 31.823 -0.131 0.000 0.686 1535 V HN 0.783 nan 8.190 nan 0.000 0.481 1536 T N -3.879 110.694 114.554 0.031 0.000 3.466 1536 T HA 0.635 4.984 4.350 -0.002 0.000 0.297 1536 T C 0.171 174.933 174.700 0.104 0.000 1.640 1536 T CA 0.401 62.539 62.100 0.064 0.000 1.631 1536 T CB 1.181 70.021 68.868 -0.048 0.000 0.928 1536 T HN 0.189 nan 8.240 nan 0.000 0.688 1537 S N 0.922 116.767 115.700 0.242 0.000 5.659 1537 S HA -0.027 4.442 4.470 -0.002 0.000 0.135 1537 S C 1.264 176.025 174.600 0.269 0.000 1.128 1537 S CA 0.430 58.748 58.200 0.196 0.000 1.392 1537 S CB -1.065 62.223 63.200 0.147 0.000 1.926 1537 S HN 0.689 nan 8.310 nan 0.000 0.537 1538 Y N 2.178 122.582 120.300 0.174 0.000 2.136 1538 Y HA -0.314 4.235 4.550 -0.002 0.000 0.271 1538 Y C 1.973 178.062 175.900 0.315 0.000 1.252 1538 Y CA 2.489 60.823 58.100 0.390 0.000 1.117 1538 Y CB -1.171 37.451 38.460 0.270 0.000 0.932 1538 Y HN 0.485 nan 8.280 nan 0.000 0.512 1539 E N 1.158 120.766 120.200 -0.985 0.000 2.045 1539 E HA -0.322 4.027 4.350 -0.002 0.000 0.212 1539 E C 2.477 178.953 176.600 -0.206 0.000 1.039 1539 E CA 2.343 58.308 56.400 -0.724 0.000 0.860 1539 E CB -0.475 28.875 29.700 -0.584 0.000 0.776 1539 E HN 0.555 nan 8.360 nan 0.000 0.467 1540 R N 0.165 120.594 120.500 -0.118 0.000 2.082 1540 R HA -0.200 4.139 4.340 -0.002 0.000 0.234 1540 R C 2.395 178.675 176.300 -0.034 0.000 1.136 1540 R CA 2.037 58.102 56.100 -0.057 0.000 0.935 1540 R CB -0.396 29.893 30.300 -0.018 0.000 0.842 1540 R HN 0.318 nan 8.270 nan 0.000 0.430 1541 E N -0.571 119.660 120.200 0.051 0.000 2.136 1541 E HA -0.309 4.040 4.350 -0.002 0.000 0.208 1541 E C 1.839 178.362 176.600 -0.128 0.000 1.035 1541 E CA 2.003 58.448 56.400 0.076 0.000 0.838 1541 E CB -0.472 29.456 29.700 0.380 0.000 0.748 1541 E HN 0.388 nan 8.360 nan 0.000 0.459 1542 Y N 2.505 122.573 120.300 -0.386 0.000 2.034 1542 Y HA -0.273 4.276 4.550 -0.002 0.000 0.269 1542 Y C 2.020 177.733 175.900 -0.312 0.000 1.125 1542 Y CA 1.742 59.517 58.100 -0.541 0.000 1.097 1542 Y CB -0.817 37.406 38.460 -0.396 0.000 0.978 1542 Y HN -0.016 nan 8.280 nan 0.000 0.480 1543 N N 0.851 119.319 118.700 -0.385 0.000 2.049 1543 N HA -0.254 4.485 4.740 -0.002 0.000 0.198 1543 N C 1.784 177.110 175.510 -0.307 0.000 1.030 1543 N CA 2.144 54.938 53.050 -0.427 0.000 0.870 1543 N CB -0.669 37.676 38.487 -0.236 0.000 1.045 1543 N HN 0.593 nan 8.380 nan 0.000 0.434 1544 E N 0.657 120.742 120.200 -0.192 0.000 2.065 1544 E HA -0.180 4.169 4.350 -0.002 0.000 0.201 1544 E C 2.285 178.798 176.600 -0.146 0.000 1.016 1544 E CA 0.949 57.271 56.400 -0.130 0.000 0.818 1544 E CB -0.259 29.396 29.700 -0.075 0.000 0.749 1544 E HN 0.296 nan 8.360 nan 0.000 0.453 1545 L N 0.329 121.447 121.223 -0.174 0.000 1.994 1545 L HA -0.224 4.115 4.340 -0.002 0.000 0.208 1545 L C 2.571 179.334 176.870 -0.178 0.000 1.071 1545 L CA 0.617 55.364 54.840 -0.155 0.000 0.745 1545 L CB -0.389 41.564 42.059 -0.178 0.000 0.892 1545 L HN 0.200 nan 8.230 nan 0.000 0.431 1546 L N 0.051 121.090 121.223 -0.307 0.000 1.989 1546 L HA -0.207 4.132 4.340 -0.002 0.000 0.211 1546 L C 2.635 179.383 176.870 -0.203 0.000 1.071 1546 L CA 2.227 56.881 54.840 -0.311 0.000 0.749 1546 L CB -1.037 40.645 42.059 -0.628 0.000 0.890 1546 L HN 0.199 nan 8.230 nan 0.000 0.431 1547 A N -0.649 122.046 122.820 -0.208 0.000 1.883 1547 A HA -0.307 4.012 4.320 -0.002 0.000 0.217 1547 A C 2.435 179.969 177.584 -0.082 0.000 1.186 1547 A CA 2.108 54.067 52.037 -0.130 0.000 0.624 1547 A CB -0.779 18.148 19.000 -0.122 0.000 0.822 1547 A HN 0.515 nan 8.150 nan 0.000 0.444 1548 K N -1.171 119.181 120.400 -0.081 0.000 2.520 1548 K HA -0.105 4.213 4.320 -0.002 0.000 0.197 1548 K C 1.446 178.026 176.600 -0.033 0.000 1.043 1548 K CA 0.954 57.213 56.287 -0.046 0.000 0.944 1548 K CB -0.137 32.335 32.500 -0.046 0.000 0.770 1548 K HN 0.365 nan 8.250 nan 0.000 0.480 1549 L N 0.504 121.697 121.223 -0.050 0.000 2.286 1549 L HA 0.072 4.411 4.340 -0.002 0.000 0.203 1549 L C 1.944 178.809 176.870 -0.009 0.000 1.068 1549 L CA 0.974 55.794 54.840 -0.032 0.000 0.811 1549 L CB -0.336 41.695 42.059 -0.047 0.000 0.989 1549 L HN -0.012 nan 8.230 nan 0.000 0.467 1550 R N 0.554 121.038 120.500 -0.025 0.000 2.096 1550 R HA -0.185 4.154 4.340 -0.002 0.000 0.240 1550 R C 1.891 178.204 176.300 0.021 0.000 1.139 1550 R CA 1.362 57.458 56.100 -0.008 0.000 0.952 1550 R CB -0.777 29.505 30.300 -0.030 0.000 0.854 1550 R HN 0.390 nan 8.270 nan 0.000 0.436 1551 K N 0.588 121.000 120.400 0.018 0.000 2.520 1551 K HA -0.060 4.259 4.320 -0.002 0.000 0.197 1551 K C 1.831 178.491 176.600 0.100 0.000 1.043 1551 K CA 0.693 57.005 56.287 0.041 0.000 0.944 1551 K CB 0.077 32.594 32.500 0.029 0.000 0.770 1551 K HN 0.021 nan 8.250 nan 0.000 0.480 1552 V N 0.677 120.666 119.914 0.125 0.000 2.672 1552 V HA -0.123 3.996 4.120 -0.002 0.000 0.242 1552 V C 1.561 177.819 176.094 0.274 0.000 1.059 1552 V CA 1.160 63.611 62.300 0.251 0.000 1.081 1552 V CB -0.087 31.828 31.823 0.152 0.000 0.752 1552 V HN 0.218 nan 8.190 nan 0.000 0.472 1553 D N 0.851 121.347 120.400 0.161 0.000 2.092 1553 D HA -0.174 4.464 4.640 -0.002 0.000 0.193 1553 D C 2.115 178.490 176.300 0.125 0.000 0.994 1553 D CA 1.321 55.409 54.000 0.146 0.000 0.828 1553 D CB -0.141 40.710 40.800 0.085 0.000 0.963 1553 D HN 0.372 nan 8.370 nan 0.000 0.450 1554 K N 0.789 121.237 120.400 0.080 0.000 2.034 1554 K HA -0.163 4.156 4.320 -0.002 0.000 0.214 1554 K C 2.202 178.818 176.600 0.027 0.000 1.051 1554 K CA 1.441 57.753 56.287 0.042 0.000 0.931 1554 K CB -0.257 32.255 32.500 0.021 0.000 0.715 1554 K HN 0.043 nan 8.250 nan 0.000 0.446 1555 A N 0.921 123.754 122.820 0.022 0.000 2.024 1555 A HA -0.120 4.199 4.320 -0.002 0.000 0.220 1555 A C 2.315 179.873 177.584 -0.044 0.000 1.164 1555 A CA 1.475 53.437 52.037 -0.125 0.000 0.643 1555 A CB -0.466 18.343 19.000 -0.318 0.000 0.806 1555 A HN 0.105 nan 8.150 nan 0.000 0.451 1556 V N -0.666 119.368 119.914 0.200 0.000 2.273 1556 V HA -0.173 3.946 4.120 -0.002 0.000 0.242 1556 V C 2.669 178.840 176.094 0.128 0.000 1.035 1556 V CA 1.954 64.424 62.300 0.284 0.000 1.013 1556 V CB -1.116 30.917 31.823 0.350 0.000 0.652 1556 V HN 0.540 nan 8.190 nan 0.000 0.452 1557 S N 0.751 116.505 115.700 0.091 0.000 2.393 1557 S HA -0.365 4.104 4.470 -0.002 0.000 0.235 1557 S C 2.224 176.828 174.600 0.007 0.000 1.061 1557 S CA 2.100 60.326 58.200 0.044 0.000 1.129 1557 S CB -0.915 62.304 63.200 0.032 0.000 1.011 1557 S HN 0.694 nan 8.310 nan 0.000 0.436 1558 A N 1.639 124.449 122.820 -0.017 0.000 1.870 1558 A HA -0.204 4.115 4.320 -0.002 0.000 0.219 1558 A C 2.199 179.729 177.584 -0.092 0.000 1.224 1558 A CA 2.125 54.130 52.037 -0.053 0.000 0.650 1558 A CB -1.219 17.735 19.000 -0.075 0.000 0.836 1558 A HN 0.470 nan 8.150 nan 0.000 0.454 1559 L N -1.231 119.913 121.223 -0.131 0.000 2.081 1559 L HA -0.300 4.039 4.340 -0.002 0.000 0.212 1559 L C 2.883 179.701 176.870 -0.086 0.000 1.080 1559 L CA 1.902 56.617 54.840 -0.210 0.000 0.754 1559 L CB -0.564 41.362 42.059 -0.222 0.000 0.893 1559 L HN 0.574 nan 8.230 nan 0.000 0.433 1560 Q N 1.302 121.094 119.800 -0.014 0.000 1.942 1560 Q HA -0.177 4.162 4.340 -0.002 0.000 0.203 1560 Q C 0.722 176.695 176.000 -0.046 0.000 0.987 1560 Q CA 1.643 57.441 55.803 -0.007 0.000 0.844 1560 Q CB -0.056 28.693 28.738 0.019 0.000 0.911 1560 Q HN 0.598 nan 8.270 nan 0.000 0.423 1561 E N -0.187 119.991 120.200 -0.037 0.000 2.079 1561 E HA 0.373 4.721 4.350 -0.002 0.000 0.252 1561 E C -1.100 175.475 176.600 -0.041 0.000 0.992 1561 E CA -0.258 56.119 56.400 -0.038 0.000 0.829 1561 E CB 0.587 30.276 29.700 -0.020 0.000 1.158 1561 E HN 0.066 nan 8.360 nan 0.000 0.435 1562 S N 3.363 119.025 115.700 -0.063 0.000 2.612 1562 S HA 0.038 4.507 4.470 -0.002 0.000 0.167 1562 S C 0.013 174.561 174.600 -0.085 0.000 0.961 1562 S CA -0.605 57.563 58.200 -0.054 0.000 1.085 1562 S CB 0.356 63.517 63.200 -0.065 0.000 1.477 1562 S HN 0.455 nan 8.310 nan 0.000 0.413 1563 D N 2.598 122.964 120.400 -0.058 0.000 2.182 1563 D HA -0.135 4.504 4.640 -0.002 0.000 0.201 1563 D C 1.681 177.913 176.300 -0.114 0.000 0.986 1563 D CA 0.778 54.729 54.000 -0.081 0.000 0.847 1563 D CB 0.071 40.852 40.800 -0.031 0.000 0.942 1563 D HN 0.624 nan 8.370 nan 0.000 0.467 1564 N N 1.292 119.971 118.700 -0.035 0.000 2.036 1564 N HA -0.198 4.541 4.740 -0.002 0.000 0.199 1564 N C 2.163 177.550 175.510 -0.205 0.000 1.036 1564 N CA 0.764 53.801 53.050 -0.021 0.000 0.870 1564 N CB -0.645 37.965 38.487 0.206 0.000 1.055 1564 N HN 0.235 nan 8.380 nan 0.000 0.436 1565 L N 1.664 122.747 121.223 -0.234 0.000 1.956 1565 L HA -0.226 4.113 4.340 -0.002 0.000 0.216 1565 L C 2.680 179.378 176.870 -0.287 0.000 1.073 1565 L CA 1.571 56.157 54.840 -0.424 0.000 0.762 1565 L CB -0.310 41.424 42.059 -0.541 0.000 0.889 1565 L HN 0.105 nan 8.230 nan 0.000 0.433 1566 R N -0.214 120.088 120.500 -0.330 0.000 2.159 1566 R HA -0.256 4.083 4.340 -0.002 0.000 0.252 1566 R C 2.086 178.290 176.300 -0.160 0.000 1.144 1566 R CA 2.150 58.087 56.100 -0.273 0.000 0.961 1566 R CB -0.711 29.452 30.300 -0.228 0.000 0.877 1566 R HN 0.613 nan 8.270 nan 0.000 0.444 1567 N N 0.162 118.683 118.700 -0.299 0.000 2.006 1567 N HA -0.162 4.577 4.740 -0.002 0.000 0.196 1567 N C 1.989 177.281 175.510 -0.362 0.000 1.057 1567 N CA 1.654 54.422 53.050 -0.469 0.000 0.853 1567 N CB -0.850 36.943 38.487 -1.156 0.000 1.051 1567 N HN 0.012 nan 8.380 nan 0.000 0.423 1568 V N 1.607 121.259 119.914 -0.435 0.000 2.311 1568 V HA -0.288 3.831 4.120 -0.002 0.000 0.259 1568 V C 2.196 178.318 176.094 0.047 0.000 1.086 1568 V CA 1.754 63.983 62.300 -0.119 0.000 1.078 1568 V CB -0.846 30.962 31.823 -0.025 0.000 0.668 1568 V HN 0.113 nan 8.190 nan 0.000 0.452 1569 F N 0.839 120.726 119.950 -0.104 0.000 2.095 1569 F HA -0.159 4.366 4.527 -0.002 0.000 0.298 1569 F C 2.407 178.300 175.800 0.154 0.000 1.104 1569 F CA 1.846 59.892 58.000 0.076 0.000 1.232 1569 F CB -0.727 38.255 39.000 -0.030 0.000 0.987 1569 F HN 0.248 nan 8.300 nan 0.000 0.475 1570 N N 0.185 118.999 118.700 0.190 0.000 2.106 1570 N HA -0.134 4.605 4.740 -0.002 0.000 0.188 1570 N C 2.143 177.715 175.510 0.103 0.000 1.029 1570 N CA 1.499 54.625 53.050 0.127 0.000 0.848 1570 N CB -0.795 37.717 38.487 0.041 0.000 1.007 1570 N HN 0.115 nan 8.380 nan 0.000 0.423 1571 V N 2.717 122.663 119.914 0.054 0.000 2.250 1571 V HA -0.257 3.862 4.120 -0.002 0.000 0.250 1571 V C 2.406 178.570 176.094 0.117 0.000 1.060 1571 V CA 1.532 63.877 62.300 0.077 0.000 1.030 1571 V CB -0.540 31.339 31.823 0.094 0.000 0.643 1571 V HN 0.258 nan 8.190 nan 0.000 0.445 1572 I N -0.643 119.990 120.570 0.104 0.000 2.208 1572 I HA -0.255 3.914 4.170 -0.002 0.000 0.245 1572 I C 2.432 178.563 176.117 0.023 0.000 1.097 1572 I CA 1.565 62.897 61.300 0.053 0.000 1.363 1572 I CB -0.433 37.491 38.000 -0.127 0.000 1.051 1572 I HN 0.367 nan 8.210 nan 0.000 0.413 1573 L N 1.373 122.665 121.223 0.116 0.000 1.994 1573 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 1573 L C 2.566 179.507 176.870 0.119 0.000 1.071 1573 L CA 2.193 57.126 54.840 0.155 0.000 0.745 1573 L CB -1.103 41.104 42.059 0.247 0.000 0.892 1573 L HN 0.179 nan 8.230 nan 0.000 0.431 1574 A N -0.343 122.550 122.820 0.122 0.000 1.848 1574 A HA -0.247 4.071 4.320 -0.002 0.000 0.217 1574 A C 2.254 179.932 177.584 0.157 0.000 1.220 1574 A CA 3.083 55.195 52.037 0.125 0.000 0.645 1574 A CB -1.531 17.533 19.000 0.107 0.000 0.842 1574 A HN 0.345 nan 8.150 nan 0.000 0.451 1575 V N 0.039 120.048 119.914 0.158 0.000 2.236 1575 V HA -0.363 3.756 4.120 -0.002 0.000 0.255 1575 V C 2.799 179.055 176.094 0.270 0.000 1.068 1575 V CA 2.631 65.054 62.300 0.205 0.000 1.044 1575 V CB -1.797 30.173 31.823 0.246 0.000 0.653 1575 V HN 0.784 nan 8.190 nan 0.000 0.448 1576 G N 0.200 109.110 108.800 0.184 0.000 2.631 1576 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.219 1576 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.219 1576 G C 1.355 176.320 174.900 0.108 0.000 1.214 1576 G CA 1.314 46.467 45.100 0.087 0.000 0.785 1576 G HN 0.567 nan 8.290 nan 0.000 0.596 1577 N N 0.325 119.091 118.700 0.111 0.000 2.049 1577 N HA -0.201 4.538 4.740 -0.002 0.000 0.198 1577 N C 1.922 177.499 175.510 0.111 0.000 1.030 1577 N CA 1.684 54.792 53.050 0.097 0.000 0.870 1577 N CB -0.622 37.930 38.487 0.108 0.000 1.045 1577 N HN 0.384 nan 8.380 nan 0.000 0.434 1578 F N 1.948 121.926 119.950 0.046 0.000 2.025 1578 F HA -0.136 4.390 4.527 -0.001 0.000 0.297 1578 F C 2.449 178.274 175.800 0.042 0.000 1.132 1578 F CA 1.588 59.615 58.000 0.046 0.000 1.191 1578 F CB -0.440 38.594 39.000 0.057 0.000 0.963 1578 F HN -0.055 nan 8.300 nan 0.000 0.481 1579 M N 0.578 120.327 119.600 0.247 0.000 2.706 1579 M HA -0.160 4.318 4.480 -0.002 0.000 0.253 1579 M C -0.466 175.824 176.300 -0.018 0.000 1.063 1579 M CA 0.757 56.133 55.300 0.127 0.000 1.067 1579 M CB -0.862 31.898 32.600 0.267 0.000 1.423 1579 M HN 0.136 nan 8.290 nan 0.000 0.530 1580 N N 1.291 119.959 118.700 -0.053 0.000 2.370 1580 N HA 0.170 4.909 4.740 -0.002 0.000 0.303 1580 N C -0.861 174.592 175.510 -0.095 0.000 1.103 1580 N CA -0.505 52.510 53.050 -0.058 0.000 0.848 1580 N CB 1.124 39.592 38.487 -0.032 0.000 1.235 1580 N HN 0.090 nan 8.380 nan 0.000 0.496 1581 D N -0.884 119.470 120.400 -0.077 0.000 2.319 1581 D HA -0.090 4.549 4.640 -0.002 0.000 0.235 1581 D C 0.330 176.591 176.300 -0.065 0.000 1.304 1581 D CA 0.019 53.973 54.000 -0.077 0.000 0.894 1581 D CB -0.359 40.409 40.800 -0.053 0.000 1.183 1581 D HN 0.447 nan 8.370 nan 0.000 0.472 1582 T N -2.816 111.704 114.554 -0.058 0.000 4.282 1582 T HA 0.342 4.691 4.350 -0.002 0.000 0.231 1582 T C 0.653 175.338 174.700 -0.026 0.000 1.004 1582 T CA 0.096 62.172 62.100 -0.041 0.000 1.146 1582 T CB -1.147 67.700 68.868 -0.035 0.000 1.285 1582 T HN 0.592 nan 8.240 nan 0.000 0.971 1583 S N 0.879 116.565 115.700 -0.022 0.000 2.453 1583 S HA 0.057 4.526 4.470 -0.002 0.000 0.185 1583 S C 0.484 175.078 174.600 -0.009 0.000 0.794 1583 S CA -0.761 57.431 58.200 -0.014 0.000 1.376 1583 S CB -0.445 62.746 63.200 -0.015 0.000 0.954 1583 S HN 0.471 nan 8.310 nan 0.000 0.339 1584 K N 2.766 123.158 120.400 -0.013 0.000 3.233 1584 K HA 0.206 4.525 4.320 -0.002 0.000 0.283 1584 K C -0.528 176.074 176.600 0.005 0.000 1.209 1584 K CA 0.005 56.288 56.287 -0.006 0.000 1.197 1584 K CB -0.155 32.337 32.500 -0.014 0.000 1.431 1584 K HN 0.360 nan 8.250 nan 0.000 0.326 1585 Q N 0.955 120.760 119.800 0.008 0.000 2.513 1585 Q HA 0.136 4.475 4.340 -0.002 0.000 0.227 1585 Q C -0.069 175.946 176.000 0.026 0.000 1.257 1585 Q CA -0.023 55.792 55.803 0.020 0.000 0.915 1585 Q CB 0.274 29.022 28.738 0.017 0.000 1.507 1585 Q HN 0.306 nan 8.270 nan 0.000 0.543 1586 A N 2.339 125.181 122.820 0.037 0.000 2.354 1586 A HA 0.216 4.535 4.320 -0.002 0.000 0.269 1586 A C 0.911 178.528 177.584 0.054 0.000 1.109 1586 A CA -0.365 51.700 52.037 0.047 0.000 0.800 1586 A CB 0.597 19.636 19.000 0.065 0.000 1.045 1586 A HN 0.444 nan 8.150 nan 0.000 0.489 1587 Q N 0.587 120.413 119.800 0.042 0.000 2.376 1587 Q HA 0.226 4.565 4.340 -0.002 0.000 0.206 1587 Q C 0.769 176.791 176.000 0.036 0.000 0.921 1587 Q CA 1.107 56.929 55.803 0.030 0.000 0.911 1587 Q CB 0.680 29.422 28.738 0.007 0.000 1.032 1587 Q HN 1.032 nan 8.270 nan 0.000 0.510 1588 G N 0.409 109.244 108.800 0.059 0.000 2.356 1588 G HA2 0.415 4.373 3.960 -0.002 0.000 0.294 1588 G HA3 0.415 4.373 3.960 -0.002 0.000 0.294 1588 G C -1.700 173.274 174.900 0.125 0.000 1.423 1588 G CA -0.808 44.328 45.100 0.059 0.000 0.806 1588 G HN 0.083 nan 8.290 nan 0.000 0.527 1589 F N -0.941 119.022 119.950 0.021 0.000 2.611 1589 F HA 0.906 5.432 4.527 -0.002 0.000 0.324 1589 F C -0.124 175.693 175.800 0.028 0.000 1.061 1589 F CA -1.424 56.573 58.000 -0.004 0.000 0.954 1589 F CB 1.977 40.944 39.000 -0.056 0.000 1.301 1589 F HN 0.589 nan 8.300 nan 0.000 0.482 1590 K N 0.911 121.398 120.400 0.146 0.000 2.087 1590 K HA 0.416 4.735 4.320 -0.002 0.000 0.255 1590 K C 0.524 177.203 176.600 0.131 0.000 0.988 1590 K CA -0.686 55.640 56.287 0.065 0.000 0.915 1590 K CB 1.264 33.800 32.500 0.060 0.000 1.043 1590 K HN 0.791 nan 8.250 nan 0.000 0.457 1591 L N 1.943 123.191 121.223 0.041 0.000 2.127 1591 L HA -0.240 4.098 4.340 -0.002 0.000 0.211 1591 L C 2.327 179.177 176.870 -0.033 0.000 1.089 1591 L CA 1.827 56.651 54.840 -0.026 0.000 0.757 1591 L CB -0.886 41.017 42.059 -0.261 0.000 0.899 1591 L HN 0.907 nan 8.230 nan 0.000 0.434 1592 S N -1.803 113.891 115.700 -0.011 0.000 2.393 1592 S HA -0.369 4.100 4.470 -0.002 0.000 0.234 1592 S C 2.029 176.577 174.600 -0.087 0.000 1.064 1592 S CA 2.155 60.334 58.200 -0.035 0.000 1.088 1592 S CB -1.356 61.837 63.200 -0.011 0.000 0.939 1592 S HN 0.485 nan 8.310 nan 0.000 0.448 1593 T N 3.157 117.679 114.554 -0.053 0.000 2.737 1593 T HA -0.026 4.322 4.350 -0.002 0.000 0.269 1593 T C 1.664 176.213 174.700 -0.252 0.000 1.040 1593 T CA 1.597 63.594 62.100 -0.173 0.000 1.142 1593 T CB -0.624 68.131 68.868 -0.189 0.000 0.861 1593 T HN 0.382 nan 8.240 nan 0.000 0.456 1594 L N 1.184 122.292 121.223 -0.193 0.000 2.043 1594 L HA -0.250 4.089 4.340 -0.002 0.000 0.212 1594 L C 2.999 179.860 176.870 -0.015 0.000 1.075 1594 L CA 2.110 56.832 54.840 -0.196 0.000 0.752 1594 L CB -0.954 40.914 42.059 -0.319 0.000 0.891 1594 L HN 0.543 nan 8.230 nan 0.000 0.432 1595 Q N 1.612 121.376 119.800 -0.059 0.000 2.050 1595 Q HA -0.224 4.115 4.340 -0.002 0.000 0.202 1595 Q C 1.871 177.756 176.000 -0.191 0.000 0.980 1595 Q CA 1.594 57.375 55.803 -0.036 0.000 0.840 1595 Q CB -0.469 28.235 28.738 -0.057 0.000 0.898 1595 Q HN 0.571 nan 8.270 nan 0.000 0.424 1596 R N 0.591 120.807 120.500 -0.474 0.000 2.346 1596 R HA 0.096 4.434 4.340 -0.002 0.000 0.208 1596 R C 1.252 177.345 176.300 -0.346 0.000 1.052 1596 R CA 0.291 55.881 56.100 -0.851 0.000 1.116 1596 R CB -0.211 29.541 30.300 -0.913 0.000 1.003 1596 R HN 0.323 nan 8.270 nan 0.000 0.482 1597 L N 0.812 121.952 121.223 -0.137 0.000 2.529 1597 L HA 0.030 4.369 4.340 -0.002 0.000 0.223 1597 L C 1.648 178.614 176.870 0.160 0.000 1.113 1597 L CA 0.926 55.722 54.840 -0.073 0.000 0.861 1597 L CB 0.283 42.350 42.059 0.015 0.000 1.012 1597 L HN 0.350 nan 8.230 nan 0.000 0.461 1598 T N -4.496 110.209 114.554 0.252 0.000 3.186 1598 T HA 0.096 4.445 4.350 -0.002 0.000 0.257 1598 T C 1.098 176.033 174.700 0.392 0.000 1.029 1598 T CA -0.106 62.178 62.100 0.306 0.000 0.916 1598 T CB -0.117 68.913 68.868 0.269 0.000 1.041 1598 T HN -0.031 nan 8.240 nan 0.000 0.562 1599 F N 1.197 121.168 119.950 0.036 0.000 2.317 1599 F HA 0.495 5.020 4.527 -0.002 0.000 0.290 1599 F C 0.782 176.598 175.800 0.027 0.000 1.075 1599 F CA -1.179 56.832 58.000 0.018 0.000 1.380 1599 F CB -0.043 38.947 39.000 -0.016 0.000 1.093 1599 F HN 0.171 nan 8.300 nan 0.000 0.524 1600 I N 1.287 121.992 120.570 0.224 0.000 2.312 1600 I HA 0.121 4.290 4.170 -0.002 0.000 0.291 1600 I C 0.123 176.339 176.117 0.165 0.000 1.031 1600 I CA -0.210 61.181 61.300 0.152 0.000 1.293 1600 I CB 0.443 38.516 38.000 0.123 0.000 1.403 1600 I HN -0.105 nan 8.210 nan 0.000 0.484 1601 K N 5.159 125.625 120.400 0.110 0.000 2.132 1601 K HA 0.311 4.629 4.320 -0.002 0.000 0.241 1601 K C 0.326 176.975 176.600 0.080 0.000 1.000 1601 K CA -0.819 55.534 56.287 0.109 0.000 0.911 1601 K CB 1.050 33.597 32.500 0.079 0.000 1.093 1601 K HN 0.598 nan 8.250 nan 0.000 0.460 1602 D N -0.008 120.453 120.400 0.102 0.000 1.794 1602 D HA -0.122 4.517 4.640 -0.002 0.000 0.292 1602 D C 1.059 177.395 176.300 0.060 0.000 1.061 1602 D CA 1.189 55.237 54.000 0.080 0.000 0.940 1602 D CB -0.399 40.515 40.800 0.191 0.000 1.238 1602 D HN 0.638 nan 8.370 nan 0.000 0.432 1603 T N -4.954 109.638 114.554 0.064 0.000 2.955 1603 T HA 0.057 4.406 4.350 -0.002 0.000 0.251 1603 T C 1.764 176.486 174.700 0.038 0.000 1.002 1603 T CA 0.771 62.897 62.100 0.044 0.000 0.970 1603 T CB -0.525 68.366 68.868 0.039 0.000 1.091 1603 T HN 0.477 nan 8.240 nan 0.000 0.495 1604 T N -0.097 114.485 114.554 0.045 0.000 3.081 1604 T HA 0.150 4.499 4.350 -0.002 0.000 0.250 1604 T C 0.655 175.371 174.700 0.028 0.000 1.100 1604 T CA 0.342 62.460 62.100 0.029 0.000 1.038 1604 T CB -0.793 68.090 68.868 0.024 0.000 0.962 1604 T HN 0.345 nan 8.240 nan 0.000 0.516 1605 N N 1.039 119.764 118.700 0.041 0.000 2.735 1605 N HA -0.187 4.552 4.740 -0.002 0.000 0.248 1605 N C 0.968 176.496 175.510 0.031 0.000 1.083 1605 N CA 0.981 54.053 53.050 0.037 0.000 0.703 1605 N CB -1.596 36.902 38.487 0.020 0.000 1.005 1605 N HN 0.747 nan 8.380 nan 0.000 0.550 1606 S N -1.991 113.732 115.700 0.039 0.000 2.517 1606 S HA 0.280 4.749 4.470 -0.002 0.000 0.228 1606 S C 0.622 175.239 174.600 0.028 0.000 1.060 1606 S CA -0.047 58.164 58.200 0.018 0.000 0.937 1606 S CB 0.583 63.782 63.200 -0.001 0.000 0.840 1606 S HN 0.203 nan 8.310 nan 0.000 0.546 1607 M N 1.597 121.234 119.600 0.061 0.000 2.456 1607 M HA 0.460 4.939 4.480 -0.002 0.000 0.324 1607 M C -0.620 175.808 176.300 0.214 0.000 1.124 1607 M CA -0.338 55.012 55.300 0.083 0.000 0.959 1607 M CB 2.236 34.821 32.600 -0.025 0.000 1.692 1607 M HN 0.201 nan 8.290 nan 0.000 0.444 1608 T N 0.094 114.774 114.554 0.209 0.000 2.934 1608 T HA 0.308 4.657 4.350 -0.002 0.000 0.283 1608 T C 0.801 175.719 174.700 0.363 0.000 1.005 1608 T CA -0.349 61.902 62.100 0.253 0.000 1.041 1608 T CB 0.578 69.568 68.868 0.203 0.000 1.042 1608 T HN 0.574 nan 8.240 nan 0.000 0.505 1609 F N 2.824 122.849 119.950 0.126 0.000 2.127 1609 F HA -0.230 4.296 4.527 -0.002 0.000 0.299 1609 F C 1.712 177.625 175.800 0.187 0.000 1.068 1609 F CA 1.836 59.864 58.000 0.047 0.000 1.263 1609 F CB -0.122 38.868 39.000 -0.017 0.000 1.016 1609 F HN 0.545 nan 8.300 nan 0.000 0.491 1610 L N 1.082 122.605 121.223 0.501 0.000 1.994 1610 L HA -0.255 4.084 4.340 -0.002 0.000 0.208 1610 L C 1.897 178.915 176.870 0.247 0.000 1.071 1610 L CA 2.333 57.413 54.840 0.400 0.000 0.745 1610 L CB -1.224 41.014 42.059 0.299 0.000 0.892 1610 L HN 0.110 nan 8.230 nan 0.000 0.431 1611 N N -1.321 117.487 118.700 0.180 0.000 2.069 1611 N HA -0.286 4.452 4.740 -0.002 0.000 0.196 1611 N C 1.572 177.079 175.510 -0.005 0.000 1.024 1611 N CA 2.231 55.302 53.050 0.034 0.000 0.869 1611 N CB -0.738 37.743 38.487 -0.011 0.000 1.035 1611 N HN 0.400 nan 8.380 nan 0.000 0.434 1612 Y N 1.027 121.272 120.300 -0.091 0.000 2.009 1612 Y HA -0.236 4.313 4.550 -0.002 0.000 0.260 1612 Y C 2.541 178.392 175.900 -0.083 0.000 1.118 1612 Y CA 1.124 59.137 58.100 -0.146 0.000 1.087 1612 Y CB -1.093 37.174 38.460 -0.321 0.000 0.970 1612 Y HN -0.182 nan 8.280 nan 0.000 0.481 1613 V N 0.438 120.428 119.914 0.125 0.000 2.243 1613 V HA -0.432 3.687 4.120 -0.002 0.000 0.258 1613 V C 2.461 178.698 176.094 0.239 0.000 1.073 1613 V CA 2.500 64.923 62.300 0.205 0.000 1.069 1613 V CB -0.774 31.257 31.823 0.347 0.000 0.681 1613 V HN 0.540 nan 8.190 nan 0.000 0.457 1614 E N -0.242 120.070 120.200 0.187 0.000 2.114 1614 E HA -0.310 4.039 4.350 -0.002 0.000 0.199 1614 E C 2.270 178.883 176.600 0.021 0.000 1.008 1614 E CA 2.403 58.810 56.400 0.011 0.000 0.810 1614 E CB -0.126 29.296 29.700 -0.462 0.000 0.739 1614 E HN 0.657 nan 8.360 nan 0.000 0.456 1615 K N 0.034 120.426 120.400 -0.014 0.000 2.021 1615 K HA 0.025 4.344 4.320 -0.002 0.000 0.205 1615 K C 2.314 178.937 176.600 0.038 0.000 1.047 1615 K CA 0.846 57.116 56.287 -0.028 0.000 0.943 1615 K CB -0.154 32.287 32.500 -0.099 0.000 0.725 1615 K HN 0.070 nan 8.250 nan 0.000 0.439 1616 I N 0.990 121.600 120.570 0.067 0.000 2.908 1616 I HA -0.253 3.916 4.170 -0.002 0.000 0.271 1616 I C 1.431 177.678 176.117 0.215 0.000 1.275 1616 I CA 0.582 61.948 61.300 0.110 0.000 1.446 1616 I CB 0.019 38.091 38.000 0.120 0.000 1.092 1616 I HN 0.076 nan 8.210 nan 0.000 0.482 1617 V N -0.289 119.776 119.914 0.250 0.000 2.743 1617 V HA -0.034 4.085 4.120 -0.002 0.000 0.237 1617 V C 2.338 178.590 176.094 0.263 0.000 1.113 1617 V CA 0.682 63.220 62.300 0.397 0.000 1.141 1617 V CB -0.291 31.831 31.823 0.499 0.000 0.873 1617 V HN 0.293 nan 8.190 nan 0.000 0.486 1618 R N 0.115 120.713 120.500 0.164 0.000 2.193 1618 R HA -0.045 4.294 4.340 -0.002 0.000 0.229 1618 R C 1.962 178.267 176.300 0.008 0.000 1.110 1618 R CA 1.267 57.413 56.100 0.077 0.000 0.988 1618 R CB -0.111 30.205 30.300 0.027 0.000 0.871 1618 R HN 0.458 nan 8.270 nan 0.000 0.458 1619 L N -0.543 120.675 121.223 -0.008 0.000 2.162 1619 L HA -0.007 4.332 4.340 -0.002 0.000 0.205 1619 L C 1.575 178.364 176.870 -0.134 0.000 1.086 1619 L CA 1.260 56.062 54.840 -0.062 0.000 0.778 1619 L CB -0.273 41.751 42.059 -0.058 0.000 0.928 1619 L HN 0.295 nan 8.230 nan 0.000 0.446 1620 N N -1.162 117.418 118.700 -0.200 0.000 2.499 1620 N HA -0.001 4.738 4.740 -0.002 0.000 0.182 1620 N C -0.176 174.895 175.510 -0.731 0.000 1.034 1620 N CA 0.431 53.160 53.050 -0.536 0.000 0.882 1620 N CB 0.461 38.471 38.487 -0.795 0.000 1.125 1620 N HN 0.197 nan 8.380 nan 0.000 0.436 1621 Y N 0.428 120.651 120.300 -0.127 0.000 2.480 1621 Y HA 0.368 4.916 4.550 -0.003 0.000 0.356 1621 Y C -2.114 173.585 175.900 -0.336 0.000 0.922 1621 Y CA -2.184 55.696 58.100 -0.368 0.000 1.146 1621 Y CB 0.354 38.344 38.460 -0.782 0.000 1.185 1621 Y HN 0.026 nan 8.280 nan 0.000 0.624 1622 P HA -0.123 nan 4.420 nan 0.000 0.231 1622 P C 0.714 178.020 177.300 0.010 0.000 1.154 1622 P CA 1.064 64.170 63.100 0.010 0.000 0.762 1622 P CB 0.314 32.004 31.700 -0.017 0.000 0.790 1623 S N -1.381 114.273 115.700 -0.077 0.000 2.527 1623 S HA 0.047 4.516 4.470 -0.002 0.000 0.222 1623 S C 1.281 175.971 174.600 0.150 0.000 0.985 1623 S CA 0.379 58.566 58.200 -0.022 0.000 0.921 1623 S CB -0.589 62.557 63.200 -0.090 0.000 0.772 1623 S HN 0.075 nan 8.310 nan 0.000 0.529 1624 F N 2.374 122.427 119.950 0.171 0.000 2.219 1624 F HA 0.152 4.678 4.527 -0.002 0.000 0.294 1624 F C 1.766 177.693 175.800 0.211 0.000 1.086 1624 F CA -0.084 58.044 58.000 0.212 0.000 1.330 1624 F CB -1.377 37.779 39.000 0.260 0.000 1.047 1624 F HN 0.097 nan 8.300 nan 0.000 0.495 1625 N N 0.663 119.561 118.700 0.330 0.000 2.717 1625 N HA -0.141 4.597 4.740 -0.002 0.000 0.197 1625 N C 0.912 176.395 175.510 -0.045 0.000 1.215 1625 N CA 0.532 53.624 53.050 0.070 0.000 0.949 1625 N CB -0.563 37.972 38.487 0.079 0.000 0.999 1625 N HN 0.229 nan 8.380 nan 0.000 0.448 1626 D N -0.822 119.629 120.400 0.085 0.000 2.347 1626 D HA -0.079 4.560 4.640 -0.002 0.000 0.215 1626 D C 1.495 177.837 176.300 0.069 0.000 0.976 1626 D CA 0.238 54.274 54.000 0.060 0.000 0.884 1626 D CB 0.028 40.891 40.800 0.105 0.000 0.915 1626 D HN 0.434 nan 8.370 nan 0.000 0.526 1627 F N 0.708 120.707 119.950 0.082 0.000 2.234 1627 F HA -0.008 4.519 4.527 -0.001 0.000 0.299 1627 F C 1.852 177.661 175.800 0.015 0.000 1.087 1627 F CA 0.570 58.587 58.000 0.028 0.000 1.340 1627 F CB -1.014 37.987 39.000 0.003 0.000 1.031 1627 F HN -0.170 nan 8.300 nan 0.000 0.500 1628 L N 0.926 121.781 121.223 -0.613 0.000 2.187 1628 L HA -0.195 4.144 4.340 -0.002 0.000 0.213 1628 L C 2.532 179.368 176.870 -0.056 0.000 1.100 1628 L CA 1.641 56.283 54.840 -0.331 0.000 0.765 1628 L CB -0.865 40.966 42.059 -0.381 0.000 0.904 1628 L HN 0.505 nan 8.230 nan 0.000 0.437 1629 S N -2.182 113.495 115.700 -0.039 0.000 2.556 1629 S HA 0.041 4.510 4.470 -0.002 0.000 0.216 1629 S C 1.408 176.024 174.600 0.026 0.000 0.970 1629 S CA -0.180 58.018 58.200 -0.003 0.000 0.912 1629 S CB 0.124 63.319 63.200 -0.008 0.000 0.790 1629 S HN 0.457 nan 8.310 nan 0.000 0.504 1630 E N 1.024 121.261 120.200 0.062 0.000 2.251 1630 E HA 0.237 4.586 4.350 -0.002 0.000 0.194 1630 E C 0.672 177.292 176.600 0.032 0.000 0.964 1630 E CA 0.314 56.748 56.400 0.056 0.000 0.868 1630 E CB -0.013 29.738 29.700 0.084 0.000 0.828 1630 E HN 0.490 nan 8.360 nan 0.000 0.481 1631 L N 1.798 123.057 121.223 0.060 0.000 2.805 1631 L HA 0.104 4.443 4.340 -0.002 0.000 0.237 1631 L C 1.831 178.697 176.870 -0.007 0.000 1.252 1631 L CA -0.212 54.626 54.840 -0.003 0.000 1.064 1631 L CB 0.008 42.075 42.059 0.014 0.000 1.361 1631 L HN 0.025 nan 8.230 nan 0.000 0.474 1632 E N 2.133 122.333 120.200 -0.001 0.000 2.033 1632 E HA -0.182 4.167 4.350 -0.002 0.000 0.199 1632 E C -0.459 176.126 176.600 -0.025 0.000 1.011 1632 E CA 1.826 58.223 56.400 -0.005 0.000 0.815 1632 E CB -0.891 28.807 29.700 -0.003 0.000 0.755 1632 E HN 0.322 nan 8.360 nan 0.000 0.451 1633 P HA -0.101 nan 4.420 nan 0.000 0.216 1633 P C 1.700 178.934 177.300 -0.111 0.000 1.150 1633 P CA 0.971 64.037 63.100 -0.056 0.000 0.837 1633 P CB -0.114 31.556 31.700 -0.050 0.000 0.786 1634 V N -0.466 119.346 119.914 -0.169 0.000 2.794 1634 V HA -0.189 3.929 4.120 -0.002 0.000 0.260 1634 V C 2.509 178.517 176.094 -0.142 0.000 1.103 1634 V CA 1.478 63.609 62.300 -0.282 0.000 1.125 1634 V CB -1.017 30.652 31.823 -0.256 0.000 0.702 1634 V HN 0.088 nan 8.190 nan 0.000 0.494 1635 L N -1.307 119.881 121.223 -0.060 0.000 2.425 1635 L HA 0.110 4.449 4.340 -0.002 0.000 0.215 1635 L C 2.011 178.881 176.870 0.001 0.000 1.065 1635 L CA 0.627 55.463 54.840 -0.007 0.000 0.842 1635 L CB -0.195 41.872 42.059 0.013 0.000 1.033 1635 L HN 0.220 nan 8.230 nan 0.000 0.474 1636 D N -0.542 119.850 120.400 -0.012 0.000 2.263 1636 D HA -0.138 4.501 4.640 -0.002 0.000 0.208 1636 D C 1.314 177.625 176.300 0.018 0.000 0.971 1636 D CA 0.814 54.815 54.000 0.001 0.000 0.867 1636 D CB 0.469 41.266 40.800 -0.006 0.000 0.929 1636 D HN 0.003 nan 8.370 nan 0.000 0.492 1637 V N -0.057 119.870 119.914 0.022 0.000 3.017 1637 V HA 0.154 4.273 4.120 -0.002 0.000 0.354 1637 V C 0.993 177.182 176.094 0.158 0.000 1.389 1637 V CA -0.113 62.236 62.300 0.083 0.000 1.163 1637 V CB 0.927 32.818 31.823 0.113 0.000 1.178 1637 V HN 0.046 nan 8.190 nan 0.000 0.547 1638 V N 1.289 121.274 119.914 0.118 0.000 3.380 1638 V HA -0.069 4.050 4.120 -0.002 0.000 0.268 1638 V C 2.181 178.361 176.094 0.144 0.000 1.168 1638 V CA 2.184 64.589 62.300 0.175 0.000 1.156 1638 V CB -0.195 31.699 31.823 0.118 0.000 0.785 1638 V HN 0.800 nan 8.190 nan 0.000 0.487 1639 K N -0.625 119.839 120.400 0.106 0.000 2.186 1639 K HA 0.085 4.404 4.320 -0.002 0.000 0.202 1639 K C 0.777 177.419 176.600 0.070 0.000 1.052 1639 K CA 0.463 56.795 56.287 0.075 0.000 0.965 1639 K CB -0.421 32.112 32.500 0.054 0.000 0.746 1639 K HN 0.321 nan 8.250 nan 0.000 0.457 1640 V N 3.244 123.210 119.914 0.086 0.000 2.458 1640 V HA -0.066 4.053 4.120 -0.002 0.000 0.287 1640 V C 0.211 176.322 176.094 0.027 0.000 1.009 1640 V CA 0.079 62.413 62.300 0.057 0.000 1.091 1640 V CB 0.767 32.630 31.823 0.068 0.000 0.960 1640 V HN 0.374 nan 8.190 nan 0.000 0.476 1641 S N 5.397 121.097 115.700 0.000 0.000 2.443 1641 S HA 0.105 4.574 4.470 -0.002 0.000 0.284 1641 S C 1.014 175.568 174.600 -0.076 0.000 1.206 1641 S CA -0.605 57.579 58.200 -0.027 0.000 1.074 1641 S CB 0.093 63.283 63.200 -0.016 0.000 0.963 1641 S HN 0.598 nan 8.310 nan 0.000 0.501 1642 I N 5.325 125.810 120.570 -0.143 0.000 2.099 1642 I HA -0.104 4.065 4.170 -0.002 0.000 0.239 1642 I C 2.261 178.269 176.117 -0.182 0.000 1.066 1642 I CA 1.822 62.968 61.300 -0.256 0.000 1.324 1642 I CB -0.553 37.156 38.000 -0.485 0.000 1.037 1642 I HN 0.764 nan 8.210 nan 0.000 0.401 1643 E N 0.182 120.301 120.200 -0.136 0.000 2.048 1643 E HA -0.348 4.001 4.350 -0.002 0.000 0.202 1643 E C 2.162 178.727 176.600 -0.058 0.000 1.021 1643 E CA 2.090 58.438 56.400 -0.086 0.000 0.825 1643 E CB -0.571 29.098 29.700 -0.052 0.000 0.756 1643 E HN 0.575 nan 8.360 nan 0.000 0.454 1644 Q N 0.028 119.802 119.800 -0.043 0.000 2.029 1644 Q HA -0.189 4.149 4.340 -0.002 0.000 0.209 1644 Q C 2.164 178.149 176.000 -0.025 0.000 0.999 1644 Q CA 2.066 57.855 55.803 -0.022 0.000 0.857 1644 Q CB -0.952 27.778 28.738 -0.013 0.000 0.926 1644 Q HN 0.388 nan 8.270 nan 0.000 0.415 1645 L N -0.314 120.884 121.223 -0.042 0.000 2.089 1645 L HA -0.159 4.180 4.340 -0.002 0.000 0.213 1645 L C 2.231 179.077 176.870 -0.039 0.000 1.079 1645 L CA 1.733 56.548 54.840 -0.042 0.000 0.758 1645 L CB -0.901 41.119 42.059 -0.066 0.000 0.891 1645 L HN 0.245 nan 8.230 nan 0.000 0.433 1646 V N 0.250 120.130 119.914 -0.057 0.000 2.261 1646 V HA -0.304 3.815 4.120 -0.002 0.000 0.246 1646 V C 2.416 178.505 176.094 -0.008 0.000 1.047 1646 V CA 2.122 64.395 62.300 -0.044 0.000 1.015 1646 V CB -0.716 31.069 31.823 -0.063 0.000 0.642 1646 V HN 0.570 nan 8.190 nan 0.000 0.446 1647 N N -0.092 118.605 118.700 -0.005 0.000 2.142 1647 N HA -0.163 4.576 4.740 -0.002 0.000 0.186 1647 N C 1.573 177.104 175.510 0.036 0.000 1.023 1647 N CA 1.549 54.607 53.050 0.014 0.000 0.852 1647 N CB -0.574 37.918 38.487 0.008 0.000 0.998 1647 N HN 0.487 nan 8.380 nan 0.000 0.424 1648 D N 0.946 121.366 120.400 0.033 0.000 2.191 1648 D HA -0.151 4.487 4.640 -0.002 0.000 0.195 1648 D C 1.944 178.308 176.300 0.108 0.000 1.003 1648 D CA 0.862 54.898 54.000 0.060 0.000 0.867 1648 D CB -0.160 40.664 40.800 0.039 0.000 0.926 1648 D HN 0.290 nan 8.370 nan 0.000 0.450 1649 C N 0.401 119.755 119.300 0.090 0.000 2.500 1649 C HA -0.032 4.426 4.460 -0.002 0.000 0.279 1649 C C 2.595 177.678 174.990 0.155 0.000 1.288 1649 C CA 0.036 59.138 59.018 0.139 0.000 1.710 1649 C CB -0.604 27.182 27.740 0.077 0.000 2.052 1649 C HN 0.356 nan 8.230 nan 0.000 0.488 1650 K N 0.946 121.397 120.400 0.086 0.000 2.089 1650 K HA -0.226 4.093 4.320 -0.002 0.000 0.210 1650 K C 1.359 177.998 176.600 0.065 0.000 1.048 1650 K CA 2.135 58.459 56.287 0.062 0.000 0.926 1650 K CB -0.165 32.355 32.500 0.033 0.000 0.714 1650 K HN 0.441 nan 8.250 nan 0.000 0.448 1651 D N -0.469 119.975 120.400 0.074 0.000 2.194 1651 D HA -0.119 4.520 4.640 -0.002 0.000 0.204 1651 D C 1.567 177.904 176.300 0.063 0.000 0.964 1651 D CA 0.601 54.634 54.000 0.054 0.000 0.846 1651 D CB -0.222 40.609 40.800 0.052 0.000 0.962 1651 D HN 0.185 nan 8.370 nan 0.000 0.490 1652 F N 1.959 121.921 119.950 0.021 0.000 2.069 1652 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 1652 F C 2.398 178.210 175.800 0.020 0.000 1.113 1652 F CA 1.469 59.489 58.000 0.032 0.000 1.214 1652 F CB -0.343 38.689 39.000 0.054 0.000 0.978 1652 F HN -0.173 nan 8.300 nan 0.000 0.474 1653 S N -0.105 115.631 115.700 0.059 0.000 2.353 1653 S HA -0.308 4.161 4.470 -0.002 0.000 0.222 1653 S C 1.865 176.390 174.600 -0.124 0.000 1.035 1653 S CA 1.478 59.653 58.200 -0.042 0.000 1.025 1653 S CB -0.614 62.627 63.200 0.067 0.000 0.902 1653 S HN 0.500 nan 8.310 nan 0.000 0.440 1654 Q N 2.049 121.809 119.800 -0.067 0.000 2.112 1654 Q HA -0.149 4.189 4.340 -0.002 0.000 0.206 1654 Q C 2.228 178.162 176.000 -0.109 0.000 0.987 1654 Q CA 2.401 58.163 55.803 -0.067 0.000 0.858 1654 Q CB -0.829 27.889 28.738 -0.032 0.000 0.905 1654 Q HN 0.604 nan 8.270 nan 0.000 0.420 1655 S N -0.746 114.862 115.700 -0.152 0.000 2.383 1655 S HA -0.167 4.302 4.470 -0.002 0.000 0.229 1655 S C 1.961 176.438 174.600 -0.205 0.000 1.030 1655 S CA 1.447 59.544 58.200 -0.171 0.000 1.002 1655 S CB -0.605 62.473 63.200 -0.204 0.000 0.829 1655 S HN 0.498 nan 8.310 nan 0.000 0.467 1656 I N 1.057 121.463 120.570 -0.272 0.000 2.333 1656 I HA -0.075 4.094 4.170 -0.002 0.000 0.246 1656 I C 2.489 178.513 176.117 -0.155 0.000 1.106 1656 I CA 0.798 61.954 61.300 -0.239 0.000 1.411 1656 I CB -0.630 37.205 38.000 -0.275 0.000 1.082 1656 I HN 0.201 nan 8.210 nan 0.000 0.420 1657 V N 1.749 121.588 119.914 -0.126 0.000 2.278 1657 V HA -0.346 3.772 4.120 -0.002 0.000 0.251 1657 V C 2.249 178.295 176.094 -0.078 0.000 1.062 1657 V CA 2.165 64.413 62.300 -0.085 0.000 1.038 1657 V CB -0.960 30.824 31.823 -0.064 0.000 0.646 1657 V HN 0.471 nan 8.190 nan 0.000 0.447 1658 N N 0.198 118.848 118.700 -0.083 0.000 2.006 1658 N HA -0.144 4.594 4.740 -0.002 0.000 0.196 1658 N C 1.842 177.308 175.510 -0.073 0.000 1.057 1658 N CA 1.688 54.696 53.050 -0.069 0.000 0.853 1658 N CB -0.964 37.484 38.487 -0.066 0.000 1.051 1658 N HN 0.327 nan 8.380 nan 0.000 0.423 1659 V N 2.182 122.039 119.914 -0.094 0.000 2.313 1659 V HA -0.269 3.850 4.120 -0.002 0.000 0.253 1659 V C 2.215 178.260 176.094 -0.081 0.000 1.070 1659 V CA 1.697 63.940 62.300 -0.095 0.000 1.057 1659 V CB -0.531 31.218 31.823 -0.125 0.000 0.653 1659 V HN 0.370 nan 8.190 nan 0.000 0.450 1660 E N -0.334 119.814 120.200 -0.086 0.000 2.012 1660 E HA -0.286 4.063 4.350 -0.002 0.000 0.197 1660 E C 2.479 179.049 176.600 -0.050 0.000 1.007 1660 E CA 1.569 57.926 56.400 -0.070 0.000 0.816 1660 E CB -0.344 29.313 29.700 -0.071 0.000 0.762 1660 E HN 0.438 nan 8.360 nan 0.000 0.451 1661 R N 0.889 121.362 120.500 -0.046 0.000 2.134 1661 R HA -0.216 4.122 4.340 -0.002 0.000 0.248 1661 R C 2.530 178.816 176.300 -0.024 0.000 1.143 1661 R CA 2.255 58.335 56.100 -0.032 0.000 0.957 1661 R CB -0.429 29.853 30.300 -0.029 0.000 0.867 1661 R HN 0.231 nan 8.270 nan 0.000 0.441 1662 S N -0.552 115.133 115.700 -0.025 0.000 2.419 1662 S HA -0.080 4.388 4.470 -0.002 0.000 0.233 1662 S C 2.047 176.646 174.600 -0.002 0.000 1.016 1662 S CA 1.404 59.598 58.200 -0.010 0.000 0.974 1662 S CB -0.328 62.864 63.200 -0.014 0.000 0.786 1662 S HN 0.201 nan 8.310 nan 0.000 0.492 1663 V N 2.176 122.080 119.914 -0.017 0.000 2.379 1663 V HA -0.087 4.032 4.120 -0.002 0.000 0.245 1663 V C 2.674 178.762 176.094 -0.010 0.000 1.044 1663 V CA 1.920 64.214 62.300 -0.010 0.000 1.036 1663 V CB -0.744 31.060 31.823 -0.031 0.000 0.664 1663 V HN 0.561 nan 8.190 nan 0.000 0.453 1664 E N 0.676 120.865 120.200 -0.020 0.000 2.051 1664 E HA -0.052 4.297 4.350 -0.002 0.000 0.189 1664 E C 1.333 177.921 176.600 -0.020 0.000 0.979 1664 E CA 1.649 58.036 56.400 -0.022 0.000 0.803 1664 E CB 0.045 29.730 29.700 -0.025 0.000 0.761 1664 E HN 0.787 nan 8.360 nan 0.000 0.451 1665 I N -3.519 117.042 120.570 -0.016 0.000 4.050 1665 I HA 0.392 4.561 4.170 -0.002 0.000 0.328 1665 I C 0.538 176.650 176.117 -0.007 0.000 1.439 1665 I CA -0.551 60.740 61.300 -0.015 0.000 1.099 1665 I CB 1.039 39.030 38.000 -0.015 0.000 1.469 1665 I HN -0.048 nan 8.210 nan 0.000 0.572 1666 G N 0.847 109.648 108.800 0.001 0.000 3.075 1666 G HA2 0.213 4.172 3.960 -0.002 0.000 0.156 1666 G HA3 0.213 4.172 3.960 -0.002 0.000 0.156 1666 G C 0.342 175.261 174.900 0.032 0.000 1.403 1666 G CA -0.234 44.875 45.100 0.014 0.000 1.033 1666 G HN 0.149 nan 8.290 nan 0.000 0.589 1667 N N -0.007 118.731 118.700 0.062 0.000 2.461 1667 N HA 0.071 4.809 4.740 -0.002 0.000 0.188 1667 N C 1.639 177.249 175.510 0.168 0.000 1.134 1667 N CA 0.294 53.412 53.050 0.112 0.000 0.878 1667 N CB 0.358 38.938 38.487 0.155 0.000 0.972 1667 N HN 0.272 nan 8.380 nan 0.000 0.456 1668 L N -0.238 121.071 121.223 0.143 0.000 2.766 1668 L HA 0.154 4.493 4.340 -0.002 0.000 0.242 1668 L C 1.900 178.849 176.870 0.132 0.000 1.136 1668 L CA 0.046 55.053 54.840 0.279 0.000 0.933 1668 L CB 0.075 42.229 42.059 0.158 0.000 1.241 1668 L HN -0.001 nan 8.230 nan 0.000 0.522 1669 S N -1.357 114.357 115.700 0.023 0.000 2.399 1669 S HA -0.126 4.343 4.470 -0.002 0.000 0.231 1669 S C 0.783 175.317 174.600 -0.111 0.000 1.022 1669 S CA 0.639 58.819 58.200 -0.033 0.000 0.983 1669 S CB -0.233 62.949 63.200 -0.030 0.000 0.803 1669 S HN 0.361 nan 8.310 nan 0.000 0.480 1670 D N 0.838 121.122 120.400 -0.193 0.000 2.349 1670 D HA 0.455 5.094 4.640 -0.002 0.000 0.232 1670 D C 0.721 176.619 176.300 -0.670 0.000 1.071 1670 D CA -0.223 53.594 54.000 -0.305 0.000 0.832 1670 D CB 1.832 42.497 40.800 -0.225 0.000 1.086 1670 D HN 0.067 nan 8.370 nan 0.000 0.504 1671 S N 2.411 117.750 115.700 -0.602 0.000 2.371 1671 S HA -0.153 4.316 4.470 -0.002 0.000 0.224 1671 S C 1.940 176.101 174.600 -0.732 0.000 1.029 1671 S CA 1.618 59.310 58.200 -0.848 0.000 0.978 1671 S CB -0.171 62.821 63.200 -0.348 0.000 0.833 1671 S HN 0.579 nan 8.310 nan 0.000 0.466 1672 S N 1.556 117.021 115.700 -0.391 0.000 2.392 1672 S HA -0.187 4.282 4.470 -0.002 0.000 0.232 1672 S C 1.697 176.190 174.600 -0.179 0.000 1.041 1672 S CA 1.414 59.485 58.200 -0.214 0.000 1.026 1672 S CB -0.723 62.399 63.200 -0.129 0.000 0.845 1672 S HN 0.616 nan 8.310 nan 0.000 0.465 1673 K N 0.652 120.876 120.400 -0.293 0.000 2.281 1673 K HA 0.070 4.388 4.320 -0.002 0.000 0.203 1673 K C 0.353 177.017 176.600 0.106 0.000 1.046 1673 K CA 0.607 56.836 56.287 -0.096 0.000 0.938 1673 K CB -0.298 32.128 32.500 -0.124 0.000 0.737 1673 K HN 0.506 nan 8.250 nan 0.000 0.458 1674 F N 0.625 120.485 119.950 -0.151 0.000 2.403 1674 F HA 0.034 4.560 4.527 -0.002 0.000 0.320 1674 F C 1.330 177.163 175.800 0.055 0.000 1.176 1674 F CA -1.256 56.660 58.000 -0.139 0.000 1.206 1674 F CB 0.296 39.131 39.000 -0.275 0.000 1.235 1674 F HN 0.124 nan 8.300 nan 0.000 0.565 1675 H N 3.480 122.649 119.070 0.165 0.000 2.886 1675 H HA 0.073 4.628 4.556 -0.002 0.000 0.329 1675 H C -1.923 173.233 175.328 -0.287 0.000 1.044 1675 H CA -1.815 53.964 56.048 -0.448 0.000 1.456 1675 H CB 1.448 30.864 29.762 -0.576 0.000 1.464 1675 H HN 0.242 nan 8.280 nan 0.000 0.573 1676 P HA -0.204 nan 4.420 nan 0.000 0.219 1676 P C 1.333 178.659 177.300 0.043 0.000 1.153 1676 P CA 1.437 64.452 63.100 -0.143 0.000 0.865 1676 P CB 0.186 31.741 31.700 -0.242 0.000 0.788 1677 L N -2.251 119.115 121.223 0.237 0.000 2.611 1677 L HA 0.124 4.462 4.340 -0.002 0.000 0.229 1677 L C 0.679 177.586 176.870 0.062 0.000 1.137 1677 L CA -0.218 54.706 54.840 0.139 0.000 0.901 1677 L CB -0.345 41.786 42.059 0.119 0.000 1.098 1677 L HN -0.062 nan 8.230 nan 0.000 0.456 1678 D N 1.563 122.018 120.400 0.092 0.000 2.351 1678 D HA 0.087 4.725 4.640 -0.002 0.000 0.251 1678 D C -0.055 176.261 176.300 0.028 0.000 1.137 1678 D CA 0.297 54.320 54.000 0.038 0.000 0.879 1678 D CB 0.882 41.730 40.800 0.079 0.000 1.181 1678 D HN -0.034 nan 8.370 nan 0.000 0.448 1679 K N 3.349 123.748 120.400 -0.002 0.000 2.877 1679 K HA 0.215 4.534 4.320 -0.002 0.000 0.176 1679 K C 0.394 176.969 176.600 -0.041 0.000 1.075 1679 K CA -0.344 55.942 56.287 -0.003 0.000 0.939 1679 K CB 1.225 33.734 32.500 0.015 0.000 1.237 1679 K HN 0.170 nan 8.250 nan 0.000 0.607 1680 V N 0.643 120.494 119.914 -0.105 0.000 2.581 1680 V HA -0.090 4.029 4.120 -0.002 0.000 0.240 1680 V C 1.970 178.002 176.094 -0.104 0.000 1.054 1680 V CA 0.757 62.970 62.300 -0.144 0.000 1.076 1680 V CB -0.175 31.486 31.823 -0.270 0.000 0.748 1680 V HN 0.536 nan 8.190 nan 0.000 0.474 1681 L N 0.105 121.285 121.223 -0.072 0.000 2.012 1681 L HA -0.186 4.153 4.340 -0.002 0.000 0.210 1681 L C 2.419 179.277 176.870 -0.020 0.000 1.073 1681 L CA 1.981 56.810 54.840 -0.018 0.000 0.748 1681 L CB -0.507 41.591 42.059 0.066 0.000 0.891 1681 L HN 0.312 nan 8.230 nan 0.000 0.431 1682 I N -0.241 120.324 120.570 -0.008 0.000 2.953 1682 I HA -0.241 3.928 4.170 -0.002 0.000 0.271 1682 I C 1.684 177.788 176.117 -0.020 0.000 1.286 1682 I CA 1.228 62.524 61.300 -0.007 0.000 1.449 1682 I CB -0.072 37.931 38.000 0.005 0.000 1.086 1682 I HN 0.227 nan 8.210 nan 0.000 0.483 1683 K N -0.446 119.932 120.400 -0.037 0.000 2.402 1683 K HA 0.245 4.563 4.320 -0.002 0.000 0.204 1683 K C 1.079 177.636 176.600 -0.072 0.000 1.056 1683 K CA 0.351 56.609 56.287 -0.048 0.000 1.069 1683 K CB 0.959 33.428 32.500 -0.051 0.000 0.888 1683 K HN 0.268 nan 8.250 nan 0.000 0.546 1684 T N 0.681 115.189 114.554 -0.077 0.000 3.138 1684 T HA 0.052 4.401 4.350 -0.002 0.000 0.245 1684 T C 1.580 176.225 174.700 -0.092 0.000 0.982 1684 T CA -0.223 61.816 62.100 -0.101 0.000 1.134 1684 T CB 0.067 68.870 68.868 -0.108 0.000 1.032 1684 T HN -0.140 nan 8.240 nan 0.000 0.442 1685 L N 1.899 123.083 121.223 -0.065 0.000 2.085 1685 L HA -0.099 4.240 4.340 -0.002 0.000 0.218 1685 L C -0.630 176.205 176.870 -0.059 0.000 1.080 1685 L CA 2.156 56.964 54.840 -0.055 0.000 0.776 1685 L CB -2.279 39.760 42.059 -0.033 0.000 0.891 1685 L HN 0.256 nan 8.230 nan 0.000 0.437 1686 P HA -0.037 nan 4.420 nan 0.000 0.220 1686 P C 1.992 179.253 177.300 -0.065 0.000 1.152 1686 P CA 0.698 63.770 63.100 -0.047 0.000 0.812 1686 P CB 0.181 31.861 31.700 -0.032 0.000 0.792 1687 V N -0.500 119.353 119.914 -0.102 0.000 2.346 1687 V HA -0.165 3.954 4.120 -0.002 0.000 0.244 1687 V C 2.425 178.389 176.094 -0.217 0.000 1.037 1687 V CA 1.122 63.323 62.300 -0.164 0.000 1.029 1687 V CB -1.409 30.270 31.823 -0.240 0.000 0.663 1687 V HN 0.018 nan 8.190 nan 0.000 0.454 1688 L N 0.071 121.173 121.223 -0.202 0.000 2.058 1688 L HA -0.268 4.070 4.340 -0.002 0.000 0.226 1688 L C 0.136 176.918 176.870 -0.147 0.000 1.089 1688 L CA 2.432 57.157 54.840 -0.192 0.000 0.799 1688 L CB -2.022 39.954 42.059 -0.137 0.000 0.900 1688 L HN 0.366 nan 8.230 nan 0.000 0.442 1689 P HA -0.153 nan 4.420 nan 0.000 0.215 1689 P C 1.439 178.711 177.300 -0.047 0.000 1.157 1689 P CA 1.103 64.165 63.100 -0.062 0.000 0.863 1689 P CB -0.004 31.671 31.700 -0.042 0.000 0.787 1690 E N -0.386 119.789 120.200 -0.040 0.000 2.097 1690 E HA -0.225 4.124 4.350 -0.002 0.000 0.196 1690 E C 1.949 178.592 176.600 0.072 0.000 1.000 1690 E CA 1.722 58.144 56.400 0.036 0.000 0.804 1690 E CB -0.860 28.894 29.700 0.091 0.000 0.740 1690 E HN 0.116 nan 8.360 nan 0.000 0.454 1691 A N 1.995 124.763 122.820 -0.087 0.000 1.828 1691 A HA -0.249 4.070 4.320 -0.002 0.000 0.215 1691 A C 2.190 179.785 177.584 0.020 0.000 1.203 1691 A CA 2.521 54.536 52.037 -0.037 0.000 0.614 1691 A CB -0.834 17.955 19.000 -0.351 0.000 0.844 1691 A HN 0.368 nan 8.150 nan 0.000 0.445 1692 R N 0.065 120.530 120.500 -0.059 0.000 2.178 1692 R HA -0.277 4.062 4.340 -0.002 0.000 0.257 1692 R C 2.103 178.396 176.300 -0.012 0.000 1.163 1692 R CA 2.147 58.221 56.100 -0.042 0.000 0.981 1692 R CB -0.705 29.562 30.300 -0.055 0.000 0.878 1692 R HN 0.554 nan 8.270 nan 0.000 0.454 1693 K N 0.866 121.260 120.400 -0.011 0.000 2.001 1693 K HA -0.186 4.133 4.320 -0.002 0.000 0.214 1693 K C 1.896 178.467 176.600 -0.049 0.000 1.050 1693 K CA 1.936 58.213 56.287 -0.016 0.000 0.934 1693 K CB -0.011 32.487 32.500 -0.004 0.000 0.718 1693 K HN 0.151 nan 8.250 nan 0.000 0.443 1694 K N -0.095 120.259 120.400 -0.076 0.000 2.063 1694 K HA -0.114 4.205 4.320 -0.002 0.000 0.208 1694 K C 2.250 178.754 176.600 -0.161 0.000 1.048 1694 K CA 1.396 57.487 56.287 -0.327 0.000 0.928 1694 K CB -0.802 31.465 32.500 -0.389 0.000 0.713 1694 K HN 0.454 nan 8.250 nan 0.000 0.442 1695 G N 2.438 111.302 108.800 0.107 0.000 2.529 1695 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.219 1695 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.219 1695 G C 1.250 176.204 174.900 0.090 0.000 1.177 1695 G CA 1.309 46.529 45.100 0.200 0.000 0.773 1695 G HN 0.273 nan 8.290 nan 0.000 0.573 1696 D N 0.399 120.815 120.400 0.027 0.000 2.077 1696 D HA -0.053 4.586 4.640 -0.002 0.000 0.196 1696 D C 2.763 179.071 176.300 0.013 0.000 0.986 1696 D CA 0.562 54.573 54.000 0.018 0.000 0.829 1696 D CB -0.475 40.328 40.800 0.005 0.000 0.983 1696 D HN 0.256 nan 8.370 nan 0.000 0.453 1697 L N 0.930 122.142 121.223 -0.019 0.000 2.030 1697 L HA -0.247 4.092 4.340 -0.002 0.000 0.222 1697 L C 2.668 179.572 176.870 0.056 0.000 1.082 1697 L CA 1.125 55.966 54.840 0.001 0.000 0.785 1697 L CB -0.431 41.598 42.059 -0.050 0.000 0.895 1697 L HN 0.116 nan 8.230 nan 0.000 0.439 1698 L N -0.506 120.746 121.223 0.048 0.000 2.027 1698 L HA -0.262 4.076 4.340 -0.002 0.000 0.206 1698 L C 2.584 179.507 176.870 0.087 0.000 1.074 1698 L CA 1.622 56.546 54.840 0.140 0.000 0.745 1698 L CB -0.299 41.829 42.059 0.115 0.000 0.898 1698 L HN 0.374 nan 8.230 nan 0.000 0.433 1699 E N -0.037 120.208 120.200 0.075 0.000 2.136 1699 E HA -0.302 4.047 4.350 -0.002 0.000 0.202 1699 E C 1.619 178.244 176.600 0.043 0.000 1.019 1699 E CA 2.110 58.546 56.400 0.060 0.000 0.819 1699 E CB 0.006 29.736 29.700 0.052 0.000 0.739 1699 E HN 0.619 nan 8.360 nan 0.000 0.458 1700 D N 0.099 120.523 120.400 0.040 0.000 2.077 1700 D HA -0.154 4.484 4.640 -0.002 0.000 0.196 1700 D C 1.842 178.162 176.300 0.033 0.000 0.986 1700 D CA 0.688 54.707 54.000 0.032 0.000 0.829 1700 D CB -0.323 40.496 40.800 0.031 0.000 0.983 1700 D HN 0.163 nan 8.370 nan 0.000 0.453 1701 E N 0.862 121.088 120.200 0.044 0.000 2.197 1701 E HA -0.169 4.180 4.350 -0.002 0.000 0.205 1701 E C 2.383 178.997 176.600 0.025 0.000 1.029 1701 E CA 0.525 56.948 56.400 0.038 0.000 0.828 1701 E CB -0.346 29.385 29.700 0.051 0.000 0.737 1701 E HN 0.211 nan 8.360 nan 0.000 0.464 1702 V N 0.991 120.919 119.914 0.023 0.000 2.232 1702 V HA -0.227 3.891 4.120 -0.002 0.000 0.239 1702 V C 2.194 178.290 176.094 0.004 0.000 1.040 1702 V CA 1.884 64.188 62.300 0.006 0.000 0.996 1702 V CB -0.548 31.281 31.823 0.010 0.000 0.638 1702 V HN 0.181 nan 8.190 nan 0.000 0.453 1703 K N -0.135 120.270 120.400 0.009 0.000 2.304 1703 K HA -0.225 4.093 4.320 -0.002 0.000 0.204 1703 K C 1.904 178.512 176.600 0.012 0.000 1.044 1703 K CA 1.552 57.843 56.287 0.008 0.000 0.932 1703 K CB -0.339 32.167 32.500 0.010 0.000 0.735 1703 K HN 0.396 nan 8.250 nan 0.000 0.468 1704 L N -0.040 121.194 121.223 0.018 0.000 2.046 1704 L HA -0.136 4.202 4.340 -0.002 0.000 0.203 1704 L C 2.063 178.953 176.870 0.033 0.000 1.111 1704 L CA 1.295 56.149 54.840 0.024 0.000 0.769 1704 L CB -0.600 41.475 42.059 0.026 0.000 0.914 1704 L HN 0.041 nan 8.230 nan 0.000 0.448 1705 T N 0.880 115.454 114.554 0.033 0.000 2.635 1705 T HA -0.335 4.014 4.350 -0.002 0.000 0.265 1705 T C 1.773 176.508 174.700 0.057 0.000 1.058 1705 T CA 2.594 64.721 62.100 0.045 0.000 1.162 1705 T CB -0.550 68.330 68.868 0.019 0.000 0.859 1705 T HN 0.311 nan 8.240 nan 0.000 0.449 1706 I N 1.214 121.794 120.570 0.016 0.000 2.118 1706 I HA -0.311 3.858 4.170 -0.002 0.000 0.241 1706 I C 2.640 178.808 176.117 0.086 0.000 1.070 1706 I CA 2.212 63.521 61.300 0.016 0.000 1.327 1706 I CB -0.587 37.401 38.000 -0.020 0.000 1.034 1706 I HN 0.456 nan 8.210 nan 0.000 0.405 1707 M N 0.629 120.261 119.600 0.052 0.000 2.082 1707 M HA -0.250 4.228 4.480 -0.002 0.000 0.258 1707 M C 1.949 178.288 176.300 0.065 0.000 1.069 1707 M CA 2.026 57.353 55.300 0.045 0.000 1.102 1707 M CB -0.887 31.727 32.600 0.024 0.000 1.336 1707 M HN 0.098 nan 8.290 nan 0.000 0.404 1708 E N 0.355 120.605 120.200 0.085 0.000 2.049 1708 E HA -0.219 4.130 4.350 -0.002 0.000 0.198 1708 E C 1.879 178.555 176.600 0.127 0.000 1.007 1708 E CA 1.958 58.416 56.400 0.096 0.000 0.809 1708 E CB -0.582 29.185 29.700 0.111 0.000 0.749 1708 E HN 0.625 nan 8.360 nan 0.000 0.450 1709 F N 2.292 122.241 119.950 -0.001 0.000 2.065 1709 F HA -0.246 4.280 4.527 -0.002 0.000 0.298 1709 F C 2.098 177.825 175.800 -0.121 0.000 1.112 1709 F CA 1.897 59.873 58.000 -0.041 0.000 1.212 1709 F CB -0.076 38.858 39.000 -0.109 0.000 0.975 1709 F HN -0.044 nan 8.300 nan 0.000 0.476 1710 E N -0.728 119.516 120.200 0.073 0.000 2.160 1710 E HA -0.235 4.114 4.350 -0.002 0.000 0.195 1710 E C 2.361 178.888 176.600 -0.123 0.000 0.991 1710 E CA 1.261 57.620 56.400 -0.067 0.000 0.810 1710 E CB -0.420 29.287 29.700 0.012 0.000 0.742 1710 E HN 0.434 nan 8.360 nan 0.000 0.466 1711 S N 1.019 116.685 115.700 -0.058 0.000 2.345 1711 S HA -0.138 4.331 4.470 -0.002 0.000 0.220 1711 S C 2.009 176.590 174.600 -0.032 0.000 1.031 1711 S CA 0.744 58.930 58.200 -0.023 0.000 0.996 1711 S CB -0.200 63.002 63.200 0.003 0.000 0.882 1711 S HN 0.204 nan 8.310 nan 0.000 0.445 1712 L N 2.027 123.220 121.223 -0.050 0.000 2.051 1712 L HA -0.097 4.242 4.340 -0.002 0.000 0.214 1712 L C 2.252 179.131 176.870 0.014 0.000 1.076 1712 L CA 2.100 56.956 54.840 0.026 0.000 0.758 1712 L CB -1.056 41.070 42.059 0.113 0.000 0.890 1712 L HN 0.449 nan 8.230 nan 0.000 0.433 1713 M N -1.643 117.737 119.600 -0.366 0.000 2.065 1713 M HA -0.273 4.206 4.480 -0.002 0.000 0.259 1713 M C 2.390 178.654 176.300 -0.061 0.000 1.071 1713 M CA 2.206 57.199 55.300 -0.511 0.000 1.109 1713 M CB -1.106 31.037 32.600 -0.763 0.000 1.313 1713 M HN 0.450 nan 8.290 nan 0.000 0.408 1714 H N 0.142 119.117 119.070 -0.158 0.000 2.321 1714 H HA -0.172 4.383 4.556 -0.002 0.000 0.295 1714 H C 1.827 177.103 175.328 -0.088 0.000 1.102 1714 H CA 2.064 58.054 56.048 -0.098 0.000 1.266 1714 H CB 0.103 29.809 29.762 -0.093 0.000 1.363 1714 H HN 0.365 nan 8.280 nan 0.000 0.492 1715 T N 0.049 114.528 114.554 -0.125 0.000 2.653 1715 T HA -0.245 4.104 4.350 -0.002 0.000 0.268 1715 T C 1.356 175.810 174.700 -0.409 0.000 1.035 1715 T CA 1.716 63.629 62.100 -0.313 0.000 1.154 1715 T CB -0.638 68.023 68.868 -0.345 0.000 0.862 1715 T HN 0.453 nan 8.240 nan 0.000 0.441 1716 Y N 0.995 121.279 120.300 -0.027 0.000 2.477 1716 Y HA 0.325 4.874 4.550 -0.002 0.000 0.303 1716 Y C 1.938 177.811 175.900 -0.045 0.000 1.202 1716 Y CA -0.041 58.049 58.100 -0.016 0.000 1.282 1716 Y CB -0.440 38.112 38.460 0.153 0.000 1.071 1716 Y HN 0.400 nan 8.280 nan 0.000 0.510 1717 G N -0.595 108.189 108.800 -0.027 0.000 2.212 1717 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.266 1717 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.266 1717 G C 0.347 175.275 174.900 0.047 0.000 0.978 1717 G CA 0.168 45.246 45.100 -0.036 0.000 0.632 1717 G HN 0.307 nan 8.290 nan 0.000 0.537 1718 E N 1.255 121.521 120.200 0.111 0.000 2.404 1718 E HA 0.158 4.507 4.350 -0.002 0.000 0.261 1718 E C 0.641 177.275 176.600 0.057 0.000 1.074 1718 E CA -0.222 56.244 56.400 0.109 0.000 0.917 1718 E CB 0.556 30.373 29.700 0.197 0.000 0.965 1718 E HN 0.477 nan 8.360 nan 0.000 0.433 1719 D N 0.115 120.549 120.400 0.056 0.000 2.346 1719 D HA -0.026 4.613 4.640 -0.002 0.000 0.249 1719 D C 0.487 176.773 176.300 -0.022 0.000 1.308 1719 D CA 0.431 54.454 54.000 0.038 0.000 0.987 1719 D CB 0.914 41.747 40.800 0.054 0.000 1.114 1719 D HN 0.334 nan 8.370 nan 0.000 0.529 1720 S N -1.864 113.821 115.700 -0.026 0.000 2.456 1720 S HA 0.167 4.636 4.470 -0.002 0.000 0.282 1720 S C 1.251 175.837 174.600 -0.024 0.000 1.057 1720 S CA 0.632 58.796 58.200 -0.061 0.000 1.321 1720 S CB 0.017 63.161 63.200 -0.092 0.000 1.117 1720 S HN 0.535 nan 8.310 nan 0.000 0.584 1721 G N 1.155 109.947 108.800 -0.012 0.000 2.492 1721 G HA2 0.072 4.030 3.960 -0.002 0.000 0.214 1721 G HA3 0.072 4.030 3.960 -0.002 0.000 0.214 1721 G C 0.408 175.319 174.900 0.018 0.000 1.147 1721 G CA 0.290 45.388 45.100 -0.003 0.000 0.809 1721 G HN 0.532 nan 8.290 nan 0.000 0.533 1722 D N 0.468 120.889 120.400 0.036 0.000 2.455 1722 D HA 0.020 4.659 4.640 -0.002 0.000 0.241 1722 D C 1.213 177.564 176.300 0.084 0.000 1.138 1722 D CA -0.018 54.024 54.000 0.069 0.000 0.877 1722 D CB 1.206 42.067 40.800 0.102 0.000 1.187 1722 D HN 0.172 nan 8.370 nan 0.000 0.451 1723 K N 3.695 124.152 120.400 0.094 0.000 2.007 1723 K HA -0.174 4.145 4.320 -0.002 0.000 0.206 1723 K C 1.976 178.650 176.600 0.123 0.000 1.047 1723 K CA 0.473 56.811 56.287 0.085 0.000 0.937 1723 K CB -0.322 32.222 32.500 0.075 0.000 0.718 1723 K HN 0.487 nan 8.250 nan 0.000 0.438 1724 F N 1.762 121.725 119.950 0.021 0.000 2.067 1724 F HA -0.412 4.114 4.527 -0.002 0.000 0.295 1724 F C 2.073 177.901 175.800 0.046 0.000 1.142 1724 F CA 2.441 60.459 58.000 0.030 0.000 1.230 1724 F CB -1.084 37.931 39.000 0.024 0.000 0.941 1724 F HN 0.194 nan 8.300 nan 0.000 0.518 1725 A N 0.154 123.019 122.820 0.076 0.000 1.859 1725 A HA -0.340 3.979 4.320 -0.002 0.000 0.218 1725 A C 2.240 179.805 177.584 -0.033 0.000 1.209 1725 A CA 2.603 54.619 52.037 -0.034 0.000 0.639 1725 A CB -1.190 17.869 19.000 0.098 0.000 0.835 1725 A HN 0.588 nan 8.150 nan 0.000 0.450 1726 K N -1.039 119.376 120.400 0.026 0.000 2.127 1726 K HA -0.233 4.086 4.320 -0.002 0.000 0.212 1726 K C 1.856 178.506 176.600 0.082 0.000 1.050 1726 K CA 1.819 58.171 56.287 0.108 0.000 0.929 1726 K CB -0.470 32.073 32.500 0.072 0.000 0.715 1726 K HN 0.476 nan 8.250 nan 0.000 0.457 1727 I N 0.873 121.425 120.570 -0.030 0.000 2.130 1727 I HA -0.217 3.952 4.170 -0.002 0.000 0.234 1727 I C 2.557 178.655 176.117 -0.032 0.000 1.067 1727 I CA 1.634 62.904 61.300 -0.051 0.000 1.339 1727 I CB -1.554 36.395 38.000 -0.084 0.000 1.073 1727 I HN 0.184 nan 8.210 nan 0.000 0.405 1728 S N 0.947 116.545 115.700 -0.171 0.000 2.440 1728 S HA -0.225 4.244 4.470 -0.002 0.000 0.238 1728 S C 1.991 176.575 174.600 -0.027 0.000 1.010 1728 S CA 0.701 58.803 58.200 -0.163 0.000 0.972 1728 S CB -1.269 61.673 63.200 -0.429 0.000 0.774 1728 S HN 0.341 nan 8.310 nan 0.000 0.501 1729 F N 2.207 122.082 119.950 -0.124 0.000 2.025 1729 F HA -0.189 4.337 4.527 -0.002 0.000 0.297 1729 F C 2.022 177.857 175.800 0.058 0.000 1.171 1729 F CA 1.683 59.619 58.000 -0.106 0.000 1.204 1729 F CB -1.018 37.929 39.000 -0.089 0.000 0.948 1729 F HN 0.207 nan 8.300 nan 0.000 0.512 1730 F N 0.474 120.551 119.950 0.213 0.000 2.063 1730 F HA -0.425 4.102 4.527 -0.001 0.000 0.297 1730 F C 2.700 178.501 175.800 0.003 0.000 1.099 1730 F CA 1.648 59.729 58.000 0.134 0.000 1.220 1730 F CB -0.619 38.538 39.000 0.262 0.000 0.972 1730 F HN 0.107 nan 8.300 nan 0.000 0.487 1731 K N 1.282 121.806 120.400 0.206 0.000 1.988 1731 K HA -0.284 4.035 4.320 -0.002 0.000 0.221 1731 K C 1.838 178.440 176.600 0.004 0.000 1.053 1731 K CA 2.300 58.638 56.287 0.087 0.000 0.959 1731 K CB -0.349 32.177 32.500 0.044 0.000 0.728 1731 K HN 0.182 nan 8.250 nan 0.000 0.447 1732 K N -0.370 119.955 120.400 -0.126 0.000 2.163 1732 K HA -0.227 4.092 4.320 -0.002 0.000 0.210 1732 K C 2.185 178.693 176.600 -0.153 0.000 1.048 1732 K CA 2.269 58.429 56.287 -0.211 0.000 0.928 1732 K CB -0.427 31.820 32.500 -0.423 0.000 0.716 1732 K HN 0.279 nan 8.250 nan 0.000 0.459 1733 F N 0.740 120.609 119.950 -0.135 0.000 2.094 1733 F HA -0.123 4.403 4.527 -0.001 0.000 0.291 1733 F C 2.854 178.680 175.800 0.044 0.000 1.109 1733 F CA 0.454 58.393 58.000 -0.101 0.000 1.221 1733 F CB -0.386 38.451 39.000 -0.272 0.000 1.014 1733 F HN 0.029 nan 8.300 nan 0.000 0.473 1734 A N 0.289 123.234 122.820 0.208 0.000 1.903 1734 A HA -0.296 4.023 4.320 -0.002 0.000 0.219 1734 A C 1.722 179.399 177.584 0.154 0.000 1.191 1734 A CA 2.473 54.594 52.037 0.141 0.000 0.638 1734 A CB -1.087 17.968 19.000 0.092 0.000 0.823 1734 A HN 0.340 nan 8.150 nan 0.000 0.451 1735 D N -1.251 119.236 120.400 0.146 0.000 2.137 1735 D HA -0.187 4.452 4.640 -0.002 0.000 0.193 1735 D C 1.603 178.022 176.300 0.198 0.000 0.993 1735 D CA 1.739 55.825 54.000 0.143 0.000 0.846 1735 D CB -0.612 40.259 40.800 0.119 0.000 0.990 1735 D HN 0.398 nan 8.370 nan 0.000 0.448 1736 F N 1.146 121.150 119.950 0.091 0.000 2.106 1736 F HA -0.273 4.253 4.527 -0.002 0.000 0.299 1736 F C 2.130 178.041 175.800 0.185 0.000 1.082 1736 F CA 1.437 59.510 58.000 0.122 0.000 1.244 1736 F CB -0.398 38.667 39.000 0.109 0.000 0.997 1736 F HN 0.021 nan 8.300 nan 0.000 0.486 1737 I N 0.194 120.860 120.570 0.160 0.000 2.226 1737 I HA -0.355 3.813 4.170 -0.002 0.000 0.245 1737 I C 2.003 178.154 176.117 0.057 0.000 1.100 1737 I CA 1.508 62.869 61.300 0.101 0.000 1.374 1737 I CB -0.642 37.478 38.000 0.199 0.000 1.057 1737 I HN 0.221 nan 8.210 nan 0.000 0.413 1738 N N 0.444 119.185 118.700 0.068 0.000 2.270 1738 N HA -0.131 4.607 4.740 -0.002 0.000 0.181 1738 N C 1.718 177.249 175.510 0.036 0.000 1.016 1738 N CA 0.865 53.946 53.050 0.051 0.000 0.870 1738 N CB -0.197 38.324 38.487 0.057 0.000 0.979 1738 N HN 0.337 nan 8.380 nan 0.000 0.431 1739 E N 0.082 120.301 120.200 0.031 0.000 2.110 1739 E HA -0.175 4.174 4.350 -0.002 0.000 0.193 1739 E C 1.500 178.108 176.600 0.012 0.000 0.988 1739 E CA 0.742 57.163 56.400 0.034 0.000 0.804 1739 E CB -0.200 29.542 29.700 0.071 0.000 0.745 1739 E HN 0.421 nan 8.360 nan 0.000 0.458 1740 Y N 1.609 121.765 120.300 -0.240 0.000 2.144 1740 Y HA -0.150 4.399 4.550 -0.003 0.000 0.272 1740 Y C 2.368 178.196 175.900 -0.119 0.000 1.092 1740 Y CA 1.569 59.539 58.100 -0.216 0.000 1.080 1740 Y CB -0.352 37.933 38.460 -0.293 0.000 1.003 1740 Y HN -0.162 nan 8.280 nan 0.000 0.477 1741 K N 0.285 120.719 120.400 0.058 0.000 2.067 1741 K HA -0.411 3.908 4.320 -0.002 0.000 0.226 1741 K C 2.199 178.753 176.600 -0.076 0.000 1.046 1741 K CA 2.643 58.911 56.287 -0.031 0.000 0.967 1741 K CB -0.465 32.036 32.500 0.002 0.000 0.749 1741 K HN 0.276 nan 8.250 nan 0.000 0.456 1742 K N 0.393 120.768 120.400 -0.042 0.000 2.001 1742 K HA -0.199 4.120 4.320 -0.002 0.000 0.214 1742 K C 2.159 178.716 176.600 -0.071 0.000 1.050 1742 K CA 1.707 57.970 56.287 -0.041 0.000 0.934 1742 K CB -0.291 32.203 32.500 -0.011 0.000 0.718 1742 K HN 0.239 nan 8.250 nan 0.000 0.443 1743 A N 1.285 124.058 122.820 -0.078 0.000 2.042 1743 A HA -0.272 4.047 4.320 -0.002 0.000 0.222 1743 A C 2.107 179.586 177.584 -0.175 0.000 1.167 1743 A CA 2.013 53.990 52.037 -0.100 0.000 0.649 1743 A CB -0.651 18.303 19.000 -0.077 0.000 0.809 1743 A HN 0.706 nan 8.150 nan 0.000 0.457 1744 Q N -0.805 118.844 119.800 -0.251 0.000 2.089 1744 Q HA 0.038 4.376 4.340 -0.002 0.000 0.195 1744 Q C 2.114 178.017 176.000 -0.162 0.000 0.963 1744 Q CA 1.095 56.737 55.803 -0.268 0.000 0.834 1744 Q CB -0.322 28.210 28.738 -0.344 0.000 0.906 1744 Q HN 0.550 nan 8.270 nan 0.000 0.452 1745 A N 0.793 123.538 122.820 -0.124 0.000 2.131 1745 A HA -0.203 4.116 4.320 -0.002 0.000 0.220 1745 A C 1.798 179.335 177.584 -0.078 0.000 1.158 1745 A CA 1.425 53.410 52.037 -0.087 0.000 0.665 1745 A CB -0.330 18.630 19.000 -0.066 0.000 0.795 1745 A HN 0.567 nan 8.150 nan 0.000 0.460 1746 Q N -0.651 119.097 119.800 -0.086 0.000 2.302 1746 Q HA -0.020 4.319 4.340 -0.002 0.000 0.202 1746 Q C 1.170 177.117 176.000 -0.088 0.000 0.936 1746 Q CA 0.786 56.544 55.803 -0.074 0.000 0.886 1746 Q CB -0.066 28.634 28.738 -0.064 0.000 0.986 1746 Q HN 0.666 nan 8.270 nan 0.000 0.487 1747 N N 0.713 119.347 118.700 -0.110 0.000 2.409 1747 N HA -0.018 4.721 4.740 -0.002 0.000 0.179 1747 N C 1.473 176.924 175.510 -0.098 0.000 1.032 1747 N CA 0.688 53.667 53.050 -0.119 0.000 0.898 1747 N CB 0.238 38.639 38.487 -0.143 0.000 0.971 1747 N HN 0.241 nan 8.380 nan 0.000 0.441 1748 L N 0.415 121.585 121.223 -0.089 0.000 2.599 1748 L HA 0.132 4.471 4.340 -0.002 0.000 0.230 1748 L C 1.879 178.713 176.870 -0.060 0.000 1.141 1748 L CA -0.018 54.779 54.840 -0.072 0.000 0.877 1748 L CB -0.105 41.913 42.059 -0.068 0.000 1.009 1748 L HN 0.110 nan 8.230 nan 0.000 0.447 1749 A N -0.194 122.589 122.820 -0.062 0.000 1.944 1749 A HA 0.199 4.518 4.320 -0.002 0.000 0.209 1749 A C 2.435 179.986 177.584 -0.054 0.000 1.328 1749 A CA 0.769 52.774 52.037 -0.053 0.000 0.693 1749 A CB -0.488 18.481 19.000 -0.052 0.000 0.994 1749 A HN 0.236 nan 8.150 nan 0.000 0.485 1750 A N 0.363 123.143 122.820 -0.066 0.000 2.032 1750 A HA -0.217 4.102 4.320 -0.002 0.000 0.221 1750 A C 1.795 179.343 177.584 -0.059 0.000 1.165 1750 A CA 1.929 53.925 52.037 -0.070 0.000 0.645 1750 A CB -0.553 18.392 19.000 -0.090 0.000 0.807 1750 A HN 0.674 nan 8.150 nan 0.000 0.453 1751 E N -0.769 119.397 120.200 -0.058 0.000 2.028 1751 E HA -0.141 4.207 4.350 -0.002 0.000 0.190 1751 E C 1.533 178.115 176.600 -0.029 0.000 0.984 1751 E CA 1.084 57.457 56.400 -0.046 0.000 0.800 1751 E CB -0.084 29.586 29.700 -0.051 0.000 0.758 1751 E HN 0.743 nan 8.360 nan 0.000 0.448 1752 E N 0.276 120.458 120.200 -0.029 0.000 2.296 1752 E HA -0.035 4.313 4.350 -0.002 0.000 0.196 1752 E C 0.581 177.173 176.600 -0.013 0.000 1.143 1752 E CA 0.020 56.409 56.400 -0.019 0.000 1.145 1752 E CB 0.213 29.899 29.700 -0.023 0.000 1.215 1752 E HN 0.213 nan 8.360 nan 0.000 0.447 1753 E N -0.450 119.743 120.200 -0.012 0.000 2.564 1753 E HA 0.041 4.390 4.350 -0.002 0.000 0.203 1753 E C 0.683 177.295 176.600 0.020 0.000 0.867 1753 E CA -0.097 56.296 56.400 -0.011 0.000 1.250 1753 E CB 0.458 30.134 29.700 -0.041 0.000 1.215 1753 E HN 0.046 nan 8.360 nan 0.000 0.566 1754 E N 1.273 121.481 120.200 0.013 0.000 2.335 1754 E HA 0.040 4.389 4.350 -0.002 0.000 0.191 1754 E C 1.059 177.710 176.600 0.085 0.000 1.077 1754 E CA 0.122 56.558 56.400 0.059 0.000 1.010 1754 E CB 0.517 30.225 29.700 0.013 0.000 1.141 1754 E HN 0.113 nan 8.360 nan 0.000 0.452 1755 R N -0.243 120.298 120.500 0.068 0.000 2.276 1755 R HA 0.182 4.521 4.340 -0.002 0.000 0.195 1755 R C 1.233 177.572 176.300 0.064 0.000 0.908 1755 R CA 0.044 56.173 56.100 0.049 0.000 1.083 1755 R CB 0.394 30.705 30.300 0.017 0.000 1.182 1755 R HN 0.067 nan 8.270 nan 0.000 0.608 1756 L N 1.120 122.388 121.223 0.075 0.000 2.685 1756 L HA 0.183 4.522 4.340 -0.002 0.000 0.233 1756 L C 0.694 177.648 176.870 0.138 0.000 1.173 1756 L CA 0.073 54.954 54.840 0.070 0.000 0.961 1756 L CB 0.299 42.371 42.059 0.022 0.000 1.217 1756 L HN 0.283 nan 8.230 nan 0.000 0.478 1757 Y N -0.599 119.721 120.300 0.034 0.000 2.494 1757 Y HA 0.314 4.862 4.550 -0.002 0.000 0.271 1757 Y C 1.657 177.603 175.900 0.076 0.000 1.113 1757 Y CA 0.104 58.243 58.100 0.065 0.000 1.240 1757 Y CB 0.597 39.073 38.460 0.027 0.000 1.268 1757 Y HN 0.002 nan 8.280 nan 0.000 0.510 1758 I N 0.776 121.384 120.570 0.062 0.000 3.956 1758 I HA 0.116 4.284 4.170 -0.002 0.000 0.333 1758 I C 1.508 177.606 176.117 -0.031 0.000 1.302 1758 I CA 0.340 61.619 61.300 -0.035 0.000 1.122 1758 I CB 0.256 38.292 38.000 0.061 0.000 1.013 1758 I HN 0.026 nan 8.210 nan 0.000 0.405 1759 K N -0.012 120.393 120.400 0.008 0.000 2.374 1759 K HA 0.044 4.363 4.320 -0.002 0.000 0.202 1759 K C 1.009 177.629 176.600 0.033 0.000 1.040 1759 K CA 0.277 56.571 56.287 0.011 0.000 1.085 1759 K CB 0.530 33.047 32.500 0.029 0.000 0.873 1759 K HN 0.271 nan 8.250 nan 0.000 0.539 1760 H N -0.413 118.595 119.070 -0.104 0.000 3.360 1760 H HA 0.223 4.777 4.556 -0.002 0.000 0.262 1760 H C 1.121 176.333 175.328 -0.194 0.000 1.149 1760 H CA 0.123 56.102 56.048 -0.115 0.000 1.181 1760 H CB 0.737 30.455 29.762 -0.075 0.000 1.564 1760 H HN -0.047 nan 8.280 nan 0.000 0.565 1761 K N 0.443 120.657 120.400 -0.311 0.000 2.404 1761 K HA 0.093 4.412 4.320 -0.002 0.000 0.194 1761 K C 0.809 177.255 176.600 -0.258 0.000 1.023 1761 K CA 0.175 56.231 56.287 -0.384 0.000 1.094 1761 K CB 0.360 32.535 32.500 -0.541 0.000 0.841 1761 K HN 0.182 nan 8.250 nan 0.000 0.523 1762 K N 0.027 120.299 120.400 -0.213 0.000 2.306 1762 K HA 0.145 4.464 4.320 -0.002 0.000 0.200 1762 K C 1.211 177.721 176.600 -0.151 0.000 1.083 1762 K CA 0.167 56.365 56.287 -0.148 0.000 0.959 1762 K CB 0.340 32.780 32.500 -0.100 0.000 0.994 1762 K HN 0.069 nan 8.250 nan 0.000 0.492 1763 I N 2.115 122.575 120.570 -0.184 0.000 3.702 1763 I HA -0.049 4.120 4.170 -0.002 0.000 0.305 1763 I C -0.188 175.796 176.117 -0.222 0.000 1.346 1763 I CA 0.348 61.549 61.300 -0.164 0.000 1.258 1763 I CB 0.065 37.992 38.000 -0.122 0.000 1.121 1763 I HN -0.110 nan 8.210 nan 0.000 0.437 1764 V N 0.426 120.210 119.914 -0.216 0.000 3.623 1764 V HA 0.271 4.390 4.120 -0.002 0.000 0.283 1764 V C 0.144 176.160 176.094 -0.129 0.000 1.643 1764 V CA -0.293 61.889 62.300 -0.195 0.000 1.121 1764 V CB 0.168 31.822 31.823 -0.282 0.000 0.933 1764 V HN 0.336 nan 8.190 nan 0.000 0.420 1765 E N 0.000 120.131 120.200 -0.115 0.000 2.725 1765 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 1765 E CA 0.000 56.351 56.400 -0.082 0.000 0.976 1765 E CB 0.000 29.651 29.700 -0.082 0.000 0.812 1765 E HN 0.000 nan 8.360 nan 0.000 0.440