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 3nms_1_C DATA FIRST_RESID 1336 DATA SEQUENCE cNKFDLKVTI KPAPEXXXXX XXAKNTMILE IcTRYRGDQD ATMSILDISM DATA SEQUENCE MTGFAPDTDD LKQLANGVDR YISKYELDKA FSDRNTLIIY LDKVSHSEDD DATA SEQUENCE cLAFKVHQYF NVELIQPGAV KVYAYYNLEE ScTRFYHPEK EDGKLNKLcR DATA SEQUENCE DELcRCAEEN cFIXXXXXKV TLEERLDKAc EPGVDYVYKT RLVKVQLSND DATA SEQUENCE FDEYIMAIEQ TIKSGSDEVQ VGQQRTFISP IKcREALKLE EKKHYLMWGL DATA SEQUENCE SSDFWGEKPN LSYIIGKDTW VEHWPEEDEc QDEENQKQcQ DLGAFTESMV DATA SEQUENCE VFGcPN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1336 c HA 0.000 nan 4.570 nan 0.000 0.325 1336 c C 0.000 174.165 174.090 0.125 0.000 1.270 1336 c CA 0.000 56.398 56.329 0.114 0.000 1.963 1336 c CB 0.000 42.578 42.510 0.113 0.000 2.134 1337 N N 0.895 119.660 118.700 0.109 0.000 1.910 1337 N HA -0.331 4.410 4.740 0.000 0.000 0.214 1337 N C 0.450 176.003 175.510 0.072 0.000 1.113 1337 N CA 2.477 55.573 53.050 0.077 0.000 3.595 1337 N CB -1.407 37.115 38.487 0.057 0.000 0.733 1337 N HN 0.665 nan 8.380 nan 0.000 0.352 1338 K N -0.813 119.664 120.400 0.129 0.000 2.228 1338 K HA 0.339 4.660 4.320 0.000 0.000 0.202 1338 K C -0.441 176.184 176.600 0.043 0.000 1.051 1338 K CA 0.817 57.171 56.287 0.113 0.000 0.960 1338 K CB 0.067 32.711 32.500 0.239 0.000 0.743 1338 K HN 0.324 nan 8.250 nan 0.000 0.458 1339 F N 0.056 120.117 119.950 0.185 0.000 2.577 1339 F HA 0.309 4.836 4.527 0.000 0.000 0.318 1339 F C -0.428 175.432 175.800 0.100 0.000 1.065 1339 F CA -1.191 56.908 58.000 0.165 0.000 0.929 1339 F CB 1.831 40.896 39.000 0.108 0.000 1.237 1339 F HN -0.210 nan 8.300 nan 0.000 0.468 1340 D N 1.538 122.112 120.400 0.289 0.000 2.252 1340 D HA 0.622 5.263 4.640 0.000 0.000 0.245 1340 D C -1.478 174.913 176.300 0.152 0.000 1.009 1340 D CA -0.118 53.984 54.000 0.170 0.000 0.870 1340 D CB 2.071 42.938 40.800 0.112 0.000 1.251 1340 D HN 0.195 nan 8.370 nan 0.000 0.460 1341 L N 2.299 123.579 121.223 0.095 0.000 2.555 1341 L HA 0.325 4.666 4.340 0.000 0.000 0.264 1341 L C -1.293 175.598 176.870 0.036 0.000 0.972 1341 L CA -0.538 54.336 54.840 0.057 0.000 0.876 1341 L CB 1.396 43.482 42.059 0.045 0.000 1.216 1341 L HN 0.130 nan 8.230 nan 0.000 0.415 1342 K N 2.705 123.114 120.400 0.014 0.000 2.316 1342 K HA 0.690 5.010 4.320 0.000 0.000 0.267 1342 K C -0.924 175.657 176.600 -0.033 0.000 1.025 1342 K CA -0.221 56.065 56.287 -0.002 0.000 0.896 1342 K CB 1.461 33.957 32.500 -0.008 0.000 1.124 1342 K HN 0.276 nan 8.250 nan 0.000 0.451 1343 V N 3.754 123.653 119.914 -0.024 0.000 2.235 1343 V HA 0.204 4.324 4.120 0.000 0.000 0.266 1343 V C -0.452 175.587 176.094 -0.091 0.000 1.055 1343 V CA -0.950 61.312 62.300 -0.064 0.000 0.844 1343 V CB 0.458 32.292 31.823 0.018 0.000 1.097 1343 V HN 0.755 nan 8.190 nan 0.000 0.453 1344 T N 3.043 117.512 114.554 -0.141 0.000 2.749 1344 T HA 0.589 4.940 4.350 0.000 0.000 0.295 1344 T C -0.293 174.283 174.700 -0.207 0.000 0.936 1344 T CA -0.145 61.877 62.100 -0.130 0.000 1.060 1344 T CB 1.736 70.539 68.868 -0.109 0.000 0.904 1344 T HN 0.305 nan 8.240 nan 0.000 0.500 1345 I N 3.708 124.186 120.570 -0.155 0.000 2.428 1345 I HA 0.379 4.549 4.170 0.000 0.000 0.279 1345 I C -0.596 175.451 176.117 -0.116 0.000 1.040 1345 I CA -1.061 60.127 61.300 -0.187 0.000 1.171 1345 I CB 0.075 37.987 38.000 -0.146 0.000 1.312 1345 I HN 0.564 nan 8.210 nan 0.000 0.470 1346 K N 7.355 127.683 120.400 -0.120 0.000 2.281 1346 K HA 0.755 5.076 4.320 0.000 0.000 0.242 1346 K C -2.697 173.859 176.600 -0.073 0.000 0.971 1346 K CA -1.865 54.376 56.287 -0.078 0.000 0.834 1346 K CB 0.583 33.044 32.500 -0.064 0.000 1.181 1346 K HN 0.174 nan 8.250 nan 0.000 0.435 1347 P HA 0.058 nan 4.420 nan 0.000 0.274 1347 P C -1.169 176.118 177.300 -0.021 0.000 1.260 1347 P CA -0.399 62.690 63.100 -0.018 0.000 0.793 1347 P CB 0.551 32.252 31.700 0.001 0.000 1.048 1348 A N 1.220 124.037 122.820 -0.005 0.000 2.330 1348 A HA 0.665 4.985 4.320 0.000 0.000 0.327 1348 A C -2.025 175.563 177.584 0.006 0.000 1.155 1348 A CA -1.201 50.834 52.037 -0.004 0.000 0.803 1348 A CB -0.766 18.237 19.000 0.005 0.000 1.208 1348 A HN 0.416 nan 8.150 nan 0.000 0.477 1349 P HA 0.250 nan 4.420 nan 0.000 0.302 1349 P C 0.101 177.408 177.300 0.011 0.000 1.301 1349 P CA -0.025 63.078 63.100 0.005 0.000 0.770 1349 P CB 0.228 31.928 31.700 0.001 0.000 1.458 1359 K N -0.274 120.143 120.400 0.028 0.000 3.423 1359 K HA -0.179 4.141 4.320 0.000 0.000 0.306 1359 K C 0.160 176.783 176.600 0.038 0.000 1.331 1359 K CA 1.257 57.562 56.287 0.029 0.000 0.905 1359 K CB -1.660 30.854 32.500 0.023 0.000 1.332 1359 K HN 0.808 nan 8.250 nan 0.000 0.473 1360 N N -1.332 117.396 118.700 0.046 0.000 1.941 1360 N HA -0.045 4.696 4.740 0.000 0.000 0.229 1360 N C -0.107 175.461 175.510 0.097 0.000 1.397 1360 N CA 0.472 53.553 53.050 0.052 0.000 0.824 1360 N CB 0.577 39.059 38.487 -0.010 0.000 1.083 1360 N HN 0.157 nan 8.380 nan 0.000 0.488 1361 T N 1.526 116.146 114.554 0.110 0.000 2.817 1361 T HA 0.617 4.968 4.350 0.000 0.000 0.293 1361 T C 0.235 175.015 174.700 0.133 0.000 0.964 1361 T CA -0.561 61.642 62.100 0.172 0.000 1.085 1361 T CB 0.435 69.469 68.868 0.276 0.000 0.921 1361 T HN 0.292 nan 8.240 nan 0.000 0.502 1362 M N 3.471 123.140 119.600 0.115 0.000 2.631 1362 M HA 0.613 5.093 4.480 0.000 0.000 0.288 1362 M C -1.217 175.035 176.300 -0.080 0.000 1.260 1362 M CA -1.261 54.053 55.300 0.023 0.000 0.842 1362 M CB 1.881 34.497 32.600 0.026 0.000 1.743 1362 M HN 0.365 nan 8.290 nan 0.000 0.461 1363 I N 2.366 122.866 120.570 -0.116 0.000 2.365 1363 I HA 0.338 4.508 4.170 0.000 0.000 0.291 1363 I C -1.197 174.745 176.117 -0.291 0.000 1.004 1363 I CA -0.813 60.374 61.300 -0.188 0.000 1.311 1363 I CB 1.700 39.609 38.000 -0.151 0.000 1.401 1363 I HN 0.542 nan 8.210 nan 0.000 0.491 1364 L N 7.935 128.890 121.223 -0.447 0.000 2.319 1364 L HA 0.441 4.781 4.340 0.000 0.000 0.281 1364 L C -0.523 175.960 176.870 -0.644 0.000 1.005 1364 L CA -0.061 54.402 54.840 -0.628 0.000 0.828 1364 L CB 1.347 42.904 42.059 -0.836 0.000 1.227 1364 L HN 0.583 nan 8.230 nan 0.000 0.415 1365 E N 5.239 125.165 120.200 -0.457 0.000 2.187 1365 E HA 0.515 4.865 4.350 0.000 0.000 0.268 1365 E C -1.471 174.962 176.600 -0.279 0.000 0.896 1365 E CA -0.624 55.568 56.400 -0.346 0.000 0.766 1365 E CB 1.510 31.076 29.700 -0.224 0.000 1.142 1365 E HN 0.709 nan 8.360 nan 0.000 0.408 1366 I N 4.353 124.787 120.570 -0.228 0.000 2.382 1366 I HA 0.279 4.449 4.170 0.000 0.000 0.286 1366 I C -0.877 175.189 176.117 -0.084 0.000 1.002 1366 I CA -0.785 60.424 61.300 -0.151 0.000 1.135 1366 I CB 1.491 39.405 38.000 -0.144 0.000 1.288 1366 I HN 0.563 nan 8.210 nan 0.000 0.448 1367 c N 4.699 123.265 118.600 -0.056 0.000 2.258 1367 c HA 0.517 5.088 4.570 0.000 0.000 0.321 1367 c C 0.621 174.719 174.090 0.013 0.000 1.168 1367 c CA -0.260 56.056 56.329 -0.022 0.000 1.531 1367 c CB 0.387 42.883 42.510 -0.022 0.000 2.095 1367 c HN 0.728 nan 8.230 nan 0.000 0.449 1368 T N 3.610 118.186 114.554 0.037 0.000 2.908 1368 T HA 0.723 5.073 4.350 0.000 0.000 0.290 1368 T C -0.853 173.920 174.700 0.122 0.000 1.034 1368 T CA -0.484 61.674 62.100 0.097 0.000 1.010 1368 T CB 1.043 69.977 68.868 0.109 0.000 1.068 1368 T HN 0.805 nan 8.240 nan 0.000 0.481 1369 R N 2.198 122.805 120.500 0.177 0.000 2.566 1369 R HA 0.342 4.682 4.340 0.000 0.000 0.271 1369 R C -2.086 174.314 176.300 0.167 0.000 1.071 1369 R CA -0.753 55.432 56.100 0.142 0.000 0.915 1369 R CB 1.325 31.669 30.300 0.074 0.000 1.228 1369 R HN 0.652 nan 8.270 nan 0.000 0.449 1370 Y N 3.491 123.754 120.300 -0.062 0.000 2.365 1370 Y HA 0.278 4.828 4.550 0.000 0.000 0.340 1370 Y C -0.108 175.714 175.900 -0.130 0.000 1.016 1370 Y CA -0.692 57.255 58.100 -0.256 0.000 1.196 1370 Y CB 0.763 39.095 38.460 -0.214 0.000 1.167 1370 Y HN 0.441 nan 8.280 nan 0.000 0.509 1371 R N 4.698 125.019 120.500 -0.300 0.000 2.893 1371 R HA 0.358 4.699 4.340 0.000 0.000 0.243 1371 R C 0.005 175.935 176.300 -0.617 0.000 1.481 1371 R CA 0.216 56.124 56.100 -0.320 0.000 1.250 1371 R CB -0.464 29.741 30.300 -0.159 0.000 1.213 1371 R HN 0.935 nan 8.270 nan 0.000 0.609 1372 G N 0.138 108.585 108.800 -0.589 0.000 2.782 1372 G HA2 0.080 4.040 3.960 0.000 0.000 0.304 1372 G HA3 0.080 4.040 3.960 0.000 0.000 0.304 1372 G C -0.568 174.158 174.900 -0.290 0.000 1.315 1372 G CA -0.479 44.291 45.100 -0.549 0.000 0.791 1372 G HN 0.190 nan 8.290 nan 0.000 0.519 1373 D N -0.453 119.774 120.400 -0.289 0.000 2.259 1373 D HA 0.138 4.778 4.640 0.000 0.000 0.216 1373 D C 0.916 176.866 176.300 -0.584 0.000 0.961 1373 D CA 0.821 54.601 54.000 -0.367 0.000 0.878 1373 D CB 0.225 40.892 40.800 -0.223 0.000 1.009 1373 D HN 0.206 nan 8.370 nan 0.000 0.490 1374 Q N 0.972 120.618 119.800 -0.256 0.000 2.212 1374 Q HA 0.300 4.640 4.340 0.000 0.000 0.238 1374 Q C -0.660 175.436 176.000 0.160 0.000 0.955 1374 Q CA -0.361 55.393 55.803 -0.082 0.000 0.906 1374 Q CB 0.431 29.193 28.738 0.040 0.000 1.215 1374 Q HN 0.017 nan 8.270 nan 0.000 0.478 1375 D N 0.744 121.310 120.400 0.277 0.000 2.348 1375 D HA 0.334 4.974 4.640 0.000 0.000 0.253 1375 D C -0.226 176.245 176.300 0.284 0.000 1.161 1375 D CA 0.042 54.238 54.000 0.326 0.000 0.876 1375 D CB 0.657 41.600 40.800 0.238 0.000 1.160 1375 D HN 0.548 nan 8.370 nan 0.000 0.459 1376 A N 2.429 125.424 122.820 0.291 0.000 2.507 1376 A HA 0.340 4.660 4.320 0.000 0.000 0.235 1376 A C 1.353 179.004 177.584 0.112 0.000 1.070 1376 A CA -0.050 52.012 52.037 0.041 0.000 0.768 1376 A CB -0.021 18.614 19.000 -0.609 0.000 1.011 1376 A HN 0.667 nan 8.150 nan 0.000 0.502 1377 T N 0.751 115.407 114.554 0.170 0.000 5.611 1377 T HA 0.293 4.643 4.350 0.000 0.000 0.362 1377 T C 0.831 175.617 174.700 0.143 0.000 0.956 1377 T CA 0.386 62.589 62.100 0.171 0.000 0.994 1377 T CB -0.249 68.767 68.868 0.246 0.000 1.461 1377 T HN 0.497 nan 8.240 nan 0.000 0.375 1378 M N 1.454 121.135 119.600 0.135 0.000 2.245 1378 M HA 0.381 4.861 4.480 0.000 0.000 0.344 1378 M C -0.560 175.842 176.300 0.170 0.000 1.170 1378 M CA 0.629 55.987 55.300 0.096 0.000 1.135 1378 M CB 0.521 33.092 32.600 -0.049 0.000 1.574 1378 M HN 0.677 nan 8.290 nan 0.000 0.452 1379 S N 2.301 118.075 115.700 0.124 0.000 2.547 1379 S HA 0.647 5.117 4.470 0.000 0.000 0.270 1379 S C -1.411 173.161 174.600 -0.048 0.000 1.150 1379 S CA -0.795 57.439 58.200 0.057 0.000 0.850 1379 S CB 1.376 64.597 63.200 0.035 0.000 1.118 1379 S HN 0.441 nan 8.310 nan 0.000 0.461 1380 I N 1.674 122.088 120.570 -0.259 0.000 2.437 1380 I HA 0.464 4.635 4.170 0.000 0.000 0.298 1380 I C -0.699 175.088 176.117 -0.551 0.000 0.984 1380 I CA -0.391 60.653 61.300 -0.426 0.000 1.214 1380 I CB 1.139 38.776 38.000 -0.605 0.000 1.365 1380 I HN 0.504 nan 8.210 nan 0.000 0.469 1381 L N 5.494 126.455 121.223 -0.437 0.000 2.324 1381 L HA 0.363 4.703 4.340 0.000 0.000 0.274 1381 L C -0.927 175.756 176.870 -0.311 0.000 1.012 1381 L CA -0.395 54.237 54.840 -0.346 0.000 0.859 1381 L CB 0.784 42.718 42.059 -0.209 0.000 1.224 1381 L HN 0.474 nan 8.230 nan 0.000 0.429 1382 D N 5.520 125.733 120.400 -0.312 0.000 2.467 1382 D HA 0.347 4.987 4.640 0.000 0.000 0.220 1382 D C -0.093 176.131 176.300 -0.126 0.000 1.103 1382 D CA -0.188 53.685 54.000 -0.212 0.000 0.886 1382 D CB 0.613 41.300 40.800 -0.187 0.000 1.025 1382 D HN 0.269 nan 8.370 nan 0.000 0.514 1383 I N 0.755 121.285 120.570 -0.067 0.000 2.783 1383 I HA 0.443 4.613 4.170 0.000 0.000 0.312 1383 I C 0.470 176.599 176.117 0.021 0.000 0.988 1383 I CA -0.918 60.390 61.300 0.013 0.000 1.182 1383 I CB 1.630 39.693 38.000 0.106 0.000 1.368 1383 I HN 0.238 nan 8.210 nan 0.000 0.511 1384 S N 3.479 119.210 115.700 0.051 0.000 2.614 1384 S HA 0.543 5.013 4.470 0.000 0.000 0.275 1384 S C -0.711 173.935 174.600 0.076 0.000 1.161 1384 S CA -1.037 57.193 58.200 0.049 0.000 0.969 1384 S CB 1.567 64.772 63.200 0.008 0.000 1.059 1384 S HN 0.397 nan 8.310 nan 0.000 0.482 1385 M N 3.157 122.828 119.600 0.118 0.000 2.245 1385 M HA 0.284 4.764 4.480 0.000 0.000 0.330 1385 M C 0.444 176.765 176.300 0.035 0.000 1.098 1385 M CA -0.137 55.251 55.300 0.146 0.000 1.172 1385 M CB -0.318 32.401 32.600 0.198 0.000 1.467 1385 M HN 0.801 nan 8.290 nan 0.000 0.454 1386 M N 0.885 120.454 119.600 -0.052 0.000 2.248 1386 M HA 0.109 4.590 4.480 0.000 0.000 0.345 1386 M C 0.892 177.227 176.300 0.058 0.000 1.243 1386 M CA -0.149 55.073 55.300 -0.130 0.000 1.090 1386 M CB -0.572 31.797 32.600 -0.385 0.000 1.683 1386 M HN 0.788 nan 8.290 nan 0.000 0.450 1387 T N 1.003 115.582 114.554 0.042 0.000 2.903 1387 T HA 0.180 4.530 4.350 0.000 0.000 0.299 1387 T C 1.300 176.052 174.700 0.087 0.000 1.041 1387 T CA 0.583 62.724 62.100 0.068 0.000 1.138 1387 T CB 0.057 68.935 68.868 0.016 0.000 1.040 1387 T HN 1.226 nan 8.240 nan 0.000 0.524 1388 G N 2.582 111.404 108.800 0.037 0.000 2.155 1388 G HA2 -0.223 3.737 3.960 0.000 0.000 0.257 1388 G HA3 -0.223 3.737 3.960 0.000 0.000 0.257 1388 G C 0.000 174.608 174.900 -0.487 0.000 0.983 1388 G CA 0.344 45.297 45.100 -0.246 0.000 0.676 1388 G HN 0.791 nan 8.290 nan 0.000 0.528 1389 F N 0.264 120.044 119.950 -0.284 0.000 2.572 1389 F HA 0.821 5.348 4.527 0.000 0.000 0.342 1389 F C 0.591 176.357 175.800 -0.056 0.000 1.064 1389 F CA -0.201 57.687 58.000 -0.186 0.000 1.008 1389 F CB 2.149 41.109 39.000 -0.066 0.000 1.303 1389 F HN 0.518 nan 8.300 nan 0.000 0.492 1390 A N 0.902 123.858 122.820 0.226 0.000 2.583 1390 A HA 0.696 5.016 4.320 0.000 0.000 0.292 1390 A C -3.182 174.455 177.584 0.089 0.000 1.045 1390 A CA -1.400 50.798 52.037 0.268 0.000 0.672 1390 A CB 1.392 20.752 19.000 0.599 0.000 1.283 1390 A HN 0.285 nan 8.150 nan 0.000 0.419 1391 P HA 0.431 nan 4.420 nan 0.000 0.290 1391 P C -1.267 175.938 177.300 -0.160 0.000 1.275 1391 P CA -0.201 62.849 63.100 -0.083 0.000 0.841 1391 P CB 0.876 32.442 31.700 -0.223 0.000 1.042 1392 D N 0.836 121.139 120.400 -0.162 0.000 2.338 1392 D HA 0.028 4.668 4.640 0.000 0.000 0.255 1392 D C 1.097 177.382 176.300 -0.026 0.000 1.237 1392 D CA 0.357 54.319 54.000 -0.063 0.000 0.883 1392 D CB 0.441 41.348 40.800 0.178 0.000 1.087 1392 D HN 0.305 nan 8.370 nan 0.000 0.485 1393 T N 1.139 115.711 114.554 0.030 0.000 2.649 1393 T HA -0.314 4.036 4.350 0.000 0.000 0.268 1393 T C 1.163 175.872 174.700 0.015 0.000 1.036 1393 T CA 1.909 64.038 62.100 0.049 0.000 1.157 1393 T CB -0.423 68.517 68.868 0.120 0.000 0.861 1393 T HN 0.433 nan 8.240 nan 0.000 0.445 1394 D N 1.790 122.208 120.400 0.030 0.000 2.178 1394 D HA -0.042 4.599 4.640 0.000 0.000 0.201 1394 D C 1.642 177.949 176.300 0.011 0.000 0.980 1394 D CA 1.235 55.248 54.000 0.023 0.000 0.842 1394 D CB -0.388 40.432 40.800 0.033 0.000 0.948 1394 D HN 0.459 nan 8.370 nan 0.000 0.472 1395 D N -0.439 119.966 120.400 0.009 0.000 2.234 1395 D HA 0.030 4.670 4.640 0.000 0.000 0.205 1395 D C 1.807 178.093 176.300 -0.023 0.000 0.962 1395 D CA 0.411 54.421 54.000 0.016 0.000 0.855 1395 D CB 0.098 40.930 40.800 0.054 0.000 0.951 1395 D HN 0.194 nan 8.370 nan 0.000 0.500 1396 L N 0.037 121.211 121.223 -0.082 0.000 2.162 1396 L HA 0.016 4.356 4.340 0.000 0.000 0.205 1396 L C 2.073 178.891 176.870 -0.087 0.000 1.086 1396 L CA 0.714 55.467 54.840 -0.144 0.000 0.778 1396 L CB -0.075 41.849 42.059 -0.226 0.000 0.928 1396 L HN -0.128 nan 8.230 nan 0.000 0.446 1397 K N 0.106 120.474 120.400 -0.054 0.000 2.063 1397 K HA -0.276 4.044 4.320 0.000 0.000 0.208 1397 K C 2.098 178.685 176.600 -0.021 0.000 1.048 1397 K CA 1.531 57.797 56.287 -0.035 0.000 0.928 1397 K CB -0.162 32.328 32.500 -0.016 0.000 0.713 1397 K HN 0.075 nan 8.250 nan 0.000 0.442 1398 Q N 0.712 120.505 119.800 -0.010 0.000 2.197 1398 Q HA -0.148 4.192 4.340 0.000 0.000 0.207 1398 Q C 1.683 177.686 176.000 0.006 0.000 0.984 1398 Q CA 1.461 57.267 55.803 0.004 0.000 0.869 1398 Q CB -0.069 28.677 28.738 0.013 0.000 0.906 1398 Q HN 0.318 nan 8.270 nan 0.000 0.426 1399 L N -0.962 120.257 121.223 -0.006 0.000 2.049 1399 L HA -0.042 4.298 4.340 0.000 0.000 0.203 1399 L C 2.385 179.256 176.870 0.002 0.000 1.074 1399 L CA 0.895 55.736 54.840 0.002 0.000 0.749 1399 L CB -0.648 41.404 42.059 -0.012 0.000 0.907 1399 L HN 0.333 nan 8.230 nan 0.000 0.439 1400 A N -0.018 122.787 122.820 -0.025 0.000 1.933 1400 A HA -0.208 4.112 4.320 0.000 0.000 0.218 1400 A C 1.944 179.546 177.584 0.031 0.000 1.175 1400 A CA 1.643 53.669 52.037 -0.018 0.000 0.628 1400 A CB -0.724 18.215 19.000 -0.101 0.000 0.814 1400 A HN 0.486 nan 8.150 nan 0.000 0.444 1401 N N 0.347 119.059 118.700 0.020 0.000 2.348 1401 N HA -0.098 4.642 4.740 0.000 0.000 0.185 1401 N C 1.082 176.617 175.510 0.041 0.000 1.019 1401 N CA 0.841 53.911 53.050 0.033 0.000 0.880 1401 N CB -0.182 38.318 38.487 0.021 0.000 0.965 1401 N HN 0.501 nan 8.380 nan 0.000 0.437 1402 G N 0.559 109.383 108.800 0.040 0.000 2.616 1402 G HA2 0.334 4.294 3.960 0.000 0.000 0.268 1402 G HA3 0.334 4.294 3.960 0.000 0.000 0.268 1402 G C -0.219 174.715 174.900 0.057 0.000 1.213 1402 G CA -0.390 44.736 45.100 0.043 0.000 0.926 1402 G HN 0.014 nan 8.290 nan 0.000 0.523 1403 V N -0.693 119.251 119.914 0.050 0.000 3.096 1403 V HA 0.552 4.672 4.120 0.000 0.000 0.319 1403 V C 0.785 176.912 176.094 0.055 0.000 1.082 1403 V CA 0.485 62.817 62.300 0.053 0.000 1.022 1403 V CB 1.517 33.363 31.823 0.038 0.000 1.103 1403 V HN 0.953 nan 8.190 nan 0.000 0.455 1404 D N 0.645 121.079 120.400 0.057 0.000 2.265 1404 D HA -0.129 4.511 4.640 0.000 0.000 0.165 1404 D C 0.459 176.807 176.300 0.081 0.000 1.190 1404 D CA 1.813 55.849 54.000 0.060 0.000 1.121 1404 D CB -0.454 40.377 40.800 0.052 0.000 1.158 1404 D HN 0.757 nan 8.370 nan 0.000 0.481 1405 R N -1.054 119.506 120.500 0.099 0.000 3.018 1405 R HA 0.757 5.097 4.340 0.000 0.000 0.243 1405 R C -1.017 175.421 176.300 0.229 0.000 1.315 1405 R CA -0.786 55.396 56.100 0.136 0.000 1.039 1405 R CB 2.272 32.626 30.300 0.090 0.000 1.315 1405 R HN 0.120 nan 8.270 nan 0.000 0.492 1406 Y N 0.173 120.521 120.300 0.079 0.000 2.288 1406 Y HA 0.322 4.872 4.550 0.000 0.000 0.319 1406 Y C -2.092 173.901 175.900 0.154 0.000 1.349 1406 Y CA -0.549 57.605 58.100 0.090 0.000 1.287 1406 Y CB 0.894 39.395 38.460 0.069 0.000 1.296 1406 Y HN 0.493 nan 8.280 nan 0.000 0.431 1407 I N 5.478 125.729 120.570 -0.532 0.000 2.474 1407 I HA 0.442 4.612 4.170 0.000 0.000 0.294 1407 I C -0.006 175.617 176.117 -0.822 0.000 1.005 1407 I CA -1.123 59.908 61.300 -0.448 0.000 1.113 1407 I CB 2.163 40.028 38.000 -0.226 0.000 1.289 1407 I HN 0.734 nan 8.210 nan 0.000 0.436 1408 S N 4.969 120.409 115.700 -0.434 0.000 2.549 1408 S HA 0.056 4.526 4.470 0.000 0.000 0.286 1408 S C 1.021 175.577 174.600 -0.074 0.000 1.314 1408 S CA -0.359 57.727 58.200 -0.190 0.000 1.062 1408 S CB 1.239 64.527 63.200 0.146 0.000 0.865 1408 S HN 0.791 nan 8.310 nan 0.000 0.498 1409 K N 1.883 122.289 120.400 0.011 0.000 2.034 1409 K HA -0.263 4.057 4.320 0.000 0.000 0.214 1409 K C 1.819 178.474 176.600 0.091 0.000 1.051 1409 K CA 2.141 58.450 56.287 0.037 0.000 0.931 1409 K CB -0.572 31.967 32.500 0.065 0.000 0.715 1409 K HN 0.889 nan 8.250 nan 0.000 0.446 1410 Y N 1.147 121.452 120.300 0.008 0.000 2.219 1410 Y HA -0.352 4.199 4.550 0.000 0.000 0.283 1410 Y C 2.049 177.950 175.900 0.002 0.000 1.191 1410 Y CA 2.207 60.314 58.100 0.012 0.000 1.199 1410 Y CB 0.001 38.478 38.460 0.029 0.000 0.972 1410 Y HN 0.267 nan 8.280 nan 0.000 0.527 1411 E N -0.343 120.039 120.200 0.304 0.000 2.190 1411 E HA -0.058 4.292 4.350 0.000 0.000 0.191 1411 E C 1.701 178.326 176.600 0.043 0.000 0.978 1411 E CA 0.693 57.217 56.400 0.207 0.000 0.839 1411 E CB -0.184 29.608 29.700 0.152 0.000 0.787 1411 E HN 0.421 nan 8.360 nan 0.000 0.473 1412 L N 1.102 122.324 121.223 -0.001 0.000 2.191 1412 L HA -0.102 4.238 4.340 0.000 0.000 0.212 1412 L C 1.289 178.142 176.870 -0.029 0.000 1.103 1412 L CA 1.539 56.362 54.840 -0.029 0.000 0.769 1412 L CB -0.652 41.380 42.059 -0.044 0.000 0.908 1412 L HN 0.137 nan 8.230 nan 0.000 0.438 1413 D N 0.044 120.413 120.400 -0.052 0.000 2.096 1413 D HA -0.126 4.514 4.640 0.000 0.000 0.200 1413 D C 0.678 176.927 176.300 -0.085 0.000 0.980 1413 D CA 0.920 54.871 54.000 -0.082 0.000 0.860 1413 D CB -0.424 40.296 40.800 -0.134 0.000 1.005 1413 D HN 0.309 nan 8.370 nan 0.000 0.449 1414 K N 1.096 121.416 120.400 -0.134 0.000 2.558 1414 K HA 0.012 4.332 4.320 0.000 0.000 0.269 1414 K C -0.156 176.416 176.600 -0.047 0.000 0.999 1414 K CA 0.002 56.227 56.287 -0.105 0.000 1.103 1414 K CB -0.073 32.373 32.500 -0.090 0.000 0.800 1414 K HN 0.115 nan 8.250 nan 0.000 0.475 1415 A N 3.335 126.114 122.820 -0.069 0.000 2.498 1415 A HA 0.099 4.419 4.320 0.000 0.000 0.239 1415 A C 1.004 178.571 177.584 -0.028 0.000 1.068 1415 A CA -0.139 51.849 52.037 -0.080 0.000 0.766 1415 A CB -0.412 18.489 19.000 -0.165 0.000 1.003 1415 A HN 0.939 nan 8.150 nan 0.000 0.497 1416 F N 1.996 121.945 119.950 -0.002 0.000 2.176 1416 F HA -0.242 4.286 4.527 0.000 0.000 0.301 1416 F C 2.107 177.960 175.800 0.088 0.000 1.071 1416 F CA 1.917 59.945 58.000 0.046 0.000 1.289 1416 F CB -0.248 38.798 39.000 0.077 0.000 1.028 1416 F HN 0.471 nan 8.300 nan 0.000 0.494 1417 S N 0.041 115.594 115.700 -0.245 0.000 2.368 1417 S HA -0.257 4.214 4.470 0.000 0.000 0.225 1417 S C 1.743 176.378 174.600 0.058 0.000 1.030 1417 S CA 1.565 59.659 58.200 -0.176 0.000 0.999 1417 S CB -0.789 62.054 63.200 -0.595 0.000 0.844 1417 S HN 0.632 nan 8.310 nan 0.000 0.459 1418 D N 0.271 120.672 120.400 0.002 0.000 2.338 1418 D HA 0.018 4.658 4.640 0.000 0.000 0.239 1418 D C 1.127 177.488 176.300 0.102 0.000 1.095 1418 D CA 0.183 54.203 54.000 0.033 0.000 0.888 1418 D CB 0.022 40.810 40.800 -0.021 0.000 0.899 1418 D HN 0.284 nan 8.370 nan 0.000 0.525 1419 R N 0.931 121.528 120.500 0.163 0.000 2.721 1419 R HA 0.020 4.361 4.340 0.000 0.000 0.296 1419 R C 1.525 177.923 176.300 0.164 0.000 1.174 1419 R CA -0.215 55.976 56.100 0.153 0.000 1.129 1419 R CB -0.186 30.203 30.300 0.147 0.000 1.316 1419 R HN 0.096 nan 8.270 nan 0.000 0.571 1420 N N -0.008 118.798 118.700 0.175 0.000 2.659 1420 N HA -0.135 4.605 4.740 0.000 0.000 0.194 1420 N C 0.269 175.856 175.510 0.127 0.000 1.140 1420 N CA 1.504 54.660 53.050 0.176 0.000 0.936 1420 N CB 0.150 38.743 38.487 0.177 0.000 0.970 1420 N HN 0.315 nan 8.380 nan 0.000 0.449 1421 T N -2.528 112.088 114.554 0.103 0.000 2.598 1421 T HA 0.611 4.961 4.350 0.000 0.000 0.289 1421 T C -1.547 173.180 174.700 0.046 0.000 1.056 1421 T CA -0.416 61.726 62.100 0.070 0.000 1.088 1421 T CB 0.825 69.723 68.868 0.051 0.000 1.519 1421 T HN 0.246 nan 8.240 nan 0.000 0.488 1422 L N -0.430 120.798 121.223 0.009 0.000 3.733 1422 L HA 0.595 4.936 4.340 0.000 0.000 0.246 1422 L C -2.329 174.484 176.870 -0.095 0.000 1.003 1422 L CA -0.569 54.251 54.840 -0.033 0.000 1.051 1422 L CB 0.484 42.510 42.059 -0.054 0.000 1.704 1422 L HN 0.936 nan 8.230 nan 0.000 0.456 1423 I N 5.013 125.497 120.570 -0.144 0.000 2.412 1423 I HA 0.532 4.702 4.170 0.000 0.000 0.296 1423 I C -0.495 175.383 176.117 -0.399 0.000 0.987 1423 I CA -0.641 60.474 61.300 -0.308 0.000 1.180 1423 I CB 1.816 39.581 38.000 -0.392 0.000 1.340 1423 I HN 0.522 nan 8.210 nan 0.000 0.455 1424 I N 6.520 126.826 120.570 -0.441 0.000 2.411 1424 I HA 0.254 4.424 4.170 0.000 0.000 0.284 1424 I C -0.948 174.928 176.117 -0.402 0.000 1.012 1424 I CA -0.612 60.484 61.300 -0.339 0.000 1.119 1424 I CB 1.019 38.921 38.000 -0.162 0.000 1.261 1424 I HN 0.386 nan 8.210 nan 0.000 0.448 1425 Y N 6.332 126.642 120.300 0.016 0.000 2.359 1425 Y HA 0.364 4.914 4.550 0.000 0.000 0.330 1425 Y C 0.186 176.110 175.900 0.040 0.000 1.143 1425 Y CA -0.221 57.906 58.100 0.044 0.000 1.318 1425 Y CB 0.567 39.105 38.460 0.130 0.000 1.234 1425 Y HN 0.365 nan 8.280 nan 0.000 0.522 1426 L N 2.570 123.870 121.223 0.130 0.000 2.352 1426 L HA 0.340 4.681 4.340 0.000 0.000 0.269 1426 L C 0.442 177.376 176.870 0.107 0.000 1.034 1426 L CA -0.402 54.493 54.840 0.092 0.000 0.806 1426 L CB 1.215 43.302 42.059 0.046 0.000 1.244 1426 L HN 0.621 nan 8.230 nan 0.000 0.447 1427 D N -0.031 120.421 120.400 0.086 0.000 2.380 1427 D HA 0.073 4.713 4.640 0.000 0.000 0.212 1427 D C -0.103 176.240 176.300 0.070 0.000 1.021 1427 D CA 0.719 54.758 54.000 0.065 0.000 0.884 1427 D CB 0.625 41.456 40.800 0.050 0.000 1.001 1427 D HN 0.491 nan 8.370 nan 0.000 0.506 1428 K N -0.573 119.873 120.400 0.077 0.000 2.536 1428 K HA 0.556 4.876 4.320 0.000 0.000 0.269 1428 K C -1.062 175.596 176.600 0.097 0.000 0.965 1428 K CA -0.976 55.364 56.287 0.089 0.000 0.860 1428 K CB 2.645 35.195 32.500 0.084 0.000 1.423 1428 K HN -0.209 nan 8.250 nan 0.000 0.438 1429 V N -1.428 118.559 119.914 0.121 0.000 2.443 1429 V HA 0.319 4.439 4.120 0.000 0.000 0.272 1429 V C -0.071 176.118 176.094 0.157 0.000 1.002 1429 V CA -0.820 61.567 62.300 0.144 0.000 0.840 1429 V CB 0.812 32.771 31.823 0.227 0.000 1.042 1429 V HN 0.842 nan 8.190 nan 0.000 0.446 1430 S N 3.120 118.884 115.700 0.107 0.000 2.536 1430 S HA -0.057 4.414 4.470 0.000 0.000 0.294 1430 S C 1.482 176.147 174.600 0.109 0.000 1.289 1430 S CA 0.929 59.171 58.200 0.070 0.000 1.035 1430 S CB 0.030 63.209 63.200 -0.035 0.000 0.783 1430 S HN 1.116 nan 8.310 nan 0.000 0.497 1431 H N 1.375 120.503 119.070 0.096 0.000 2.525 1431 H HA 0.144 4.701 4.556 0.000 0.000 0.275 1431 H C 1.615 176.951 175.328 0.012 0.000 0.984 1431 H CA 0.886 56.959 56.048 0.041 0.000 1.264 1431 H CB -0.364 29.396 29.762 -0.003 0.000 1.432 1431 H HN 0.416 nan 8.280 nan 0.000 0.549 1432 S N 0.977 116.249 115.700 -0.714 0.000 2.354 1432 S HA -0.057 4.413 4.470 0.000 0.000 0.200 1432 S C 0.526 175.015 174.600 -0.185 0.000 1.055 1432 S CA 1.163 59.051 58.200 -0.519 0.000 1.077 1432 S CB -0.008 62.894 63.200 -0.497 0.000 0.992 1432 S HN 0.660 nan 8.310 nan 0.000 0.423 1433 E N 1.323 121.446 120.200 -0.128 0.000 2.264 1433 E HA 0.499 4.849 4.350 0.000 0.000 0.260 1433 E C -1.399 175.187 176.600 -0.022 0.000 0.961 1433 E CA -0.982 55.384 56.400 -0.057 0.000 0.834 1433 E CB -0.235 29.438 29.700 -0.045 0.000 1.230 1433 E HN -0.036 nan 8.360 nan 0.000 0.412 1434 D N 0.710 121.106 120.400 -0.006 0.000 2.648 1434 D HA 0.067 4.707 4.640 0.000 0.000 0.229 1434 D C -0.847 175.457 176.300 0.007 0.000 1.119 1434 D CA 0.817 54.822 54.000 0.008 0.000 0.850 1434 D CB 0.170 40.970 40.800 0.000 0.000 1.169 1434 D HN 0.233 nan 8.370 nan 0.000 0.489 1435 D N 1.738 122.151 120.400 0.022 0.000 2.381 1435 D HA 0.288 4.928 4.640 0.000 0.000 0.235 1435 D C -0.500 175.806 176.300 0.010 0.000 1.068 1435 D CA -0.326 53.685 54.000 0.019 0.000 0.832 1435 D CB 0.771 41.594 40.800 0.038 0.000 1.101 1435 D HN 0.231 nan 8.370 nan 0.000 0.515 1436 c N 2.027 120.624 118.600 -0.004 0.000 2.564 1436 c HA 0.890 5.460 4.570 0.000 0.000 0.381 1436 c C -0.508 173.569 174.090 -0.023 0.000 1.297 1436 c CA -0.415 55.900 56.329 -0.023 0.000 1.846 1436 c CB 0.808 43.296 42.510 -0.037 0.000 2.198 1436 c HN 0.649 nan 8.230 nan 0.000 0.507 1437 L N -0.651 120.543 121.223 -0.049 0.000 3.064 1437 L HA 1.014 5.354 4.340 0.000 0.000 0.282 1437 L C -0.806 175.992 176.870 -0.121 0.000 1.045 1437 L CA -0.751 54.066 54.840 -0.039 0.000 0.986 1437 L CB 0.709 42.780 42.059 0.020 0.000 1.571 1437 L HN 1.085 nan 8.230 nan 0.000 0.377 1438 A N -0.115 122.633 122.820 -0.120 0.000 2.581 1438 A HA 0.846 5.166 4.320 0.000 0.000 0.294 1438 A C -1.888 175.594 177.584 -0.170 0.000 1.035 1438 A CA -0.200 51.649 52.037 -0.313 0.000 0.684 1438 A CB 0.930 19.786 19.000 -0.240 0.000 1.282 1438 A HN 1.833 nan 8.150 nan 0.000 0.417 1439 F N -0.679 119.201 119.950 -0.117 0.000 2.615 1439 F HA 0.667 5.194 4.527 0.000 0.000 0.312 1439 F C -0.217 175.488 175.800 -0.158 0.000 1.119 1439 F CA -1.129 56.801 58.000 -0.116 0.000 0.979 1439 F CB 1.320 40.256 39.000 -0.106 0.000 1.266 1439 F HN 0.482 nan 8.300 nan 0.000 0.444 1440 K N 2.822 123.235 120.400 0.022 0.000 2.491 1440 K HA 0.360 4.681 4.320 0.000 0.000 0.279 1440 K C -0.135 176.311 176.600 -0.255 0.000 1.026 1440 K CA -0.147 56.056 56.287 -0.141 0.000 1.070 1440 K CB 0.710 33.139 32.500 -0.118 0.000 0.887 1440 K HN 0.642 nan 8.250 nan 0.000 0.481 1441 V N 1.039 120.782 119.914 -0.284 0.000 2.769 1441 V HA 0.465 4.586 4.120 0.000 0.000 0.312 1441 V C -0.672 175.194 176.094 -0.381 0.000 1.058 1441 V CA -0.779 61.359 62.300 -0.271 0.000 0.952 1441 V CB 1.779 33.643 31.823 0.069 0.000 1.019 1441 V HN 0.713 nan 8.190 nan 0.000 0.445 1442 H N 2.493 121.587 119.070 0.038 0.000 2.609 1442 H HA 0.414 4.971 4.556 0.000 0.000 0.344 1442 H C -0.802 174.301 175.328 -0.376 0.000 1.040 1442 H CA -0.400 55.593 56.048 -0.093 0.000 1.216 1442 H CB 1.952 31.616 29.762 -0.163 0.000 1.529 1442 H HN 0.896 nan 8.280 nan 0.000 0.519 1443 Q N 2.322 121.642 119.800 -0.800 0.000 2.271 1443 Q HA -0.004 4.336 4.340 0.000 0.000 0.273 1443 Q C -0.152 175.608 176.000 -0.399 0.000 1.051 1443 Q CA -0.042 54.942 55.803 -1.365 0.000 0.901 1443 Q CB 0.341 28.210 28.738 -1.448 0.000 1.174 1443 Q HN 0.685 nan 8.270 nan 0.000 0.385 1444 Y N 3.263 123.518 120.300 -0.075 0.000 2.467 1444 Y HA 0.364 4.915 4.550 0.000 0.000 0.250 1444 Y C -0.913 175.073 175.900 0.144 0.000 1.155 1444 Y CA -1.074 57.084 58.100 0.098 0.000 1.249 1444 Y CB 0.416 39.011 38.460 0.226 0.000 1.146 1444 Y HN 0.411 nan 8.280 nan 0.000 0.524 1445 F N 2.925 122.900 119.950 0.041 0.000 2.612 1445 F HA 0.424 4.951 4.527 0.000 0.000 0.332 1445 F C -0.923 174.875 175.800 -0.003 0.000 1.167 1445 F CA -2.400 55.690 58.000 0.150 0.000 0.970 1445 F CB 0.855 40.019 39.000 0.273 0.000 1.234 1445 F HN 0.053 nan 8.300 nan 0.000 0.453 1446 N N 5.994 124.900 118.700 0.345 0.000 2.416 1446 N HA 0.337 5.077 4.740 0.000 0.000 0.271 1446 N C -1.173 174.263 175.510 -0.124 0.000 1.245 1446 N CA 0.459 53.552 53.050 0.072 0.000 0.940 1446 N CB 0.595 39.156 38.487 0.124 0.000 1.175 1446 N HN 0.441 nan 8.380 nan 0.000 0.483 1447 V N 1.015 120.764 119.914 -0.276 0.000 2.841 1447 V HA 0.437 4.557 4.120 0.000 0.000 0.310 1447 V C -0.090 175.929 176.094 -0.125 0.000 1.090 1447 V CA -1.206 60.931 62.300 -0.272 0.000 0.930 1447 V CB 1.727 33.254 31.823 -0.494 0.000 1.014 1447 V HN 0.609 nan 8.190 nan 0.000 0.425 1448 E N 4.533 124.688 120.200 -0.075 0.000 2.374 1448 E HA 0.531 4.881 4.350 0.000 0.000 0.260 1448 E C -0.119 176.456 176.600 -0.042 0.000 1.101 1448 E CA -0.712 55.665 56.400 -0.040 0.000 0.907 1448 E CB 1.132 30.817 29.700 -0.024 0.000 1.014 1448 E HN 0.772 nan 8.360 nan 0.000 0.427 1449 L N 1.618 122.831 121.223 -0.017 0.000 3.632 1449 L HA -0.207 4.133 4.340 0.000 0.000 0.510 1449 L C 0.026 176.896 176.870 0.000 0.000 1.299 1449 L CA 0.254 55.088 54.840 -0.009 0.000 0.829 1449 L CB -1.792 40.254 42.059 -0.021 0.000 1.559 1449 L HN 0.696 nan 8.230 nan 0.000 0.857 1450 I N -1.126 119.465 120.570 0.035 0.000 2.471 1450 I HA 0.322 4.492 4.170 0.000 0.000 0.286 1450 I C 0.674 176.851 176.117 0.099 0.000 1.079 1450 I CA -0.122 61.198 61.300 0.033 0.000 1.398 1450 I CB 1.182 39.194 38.000 0.021 0.000 1.403 1450 I HN 0.397 nan 8.210 nan 0.000 0.530 1451 Q N 7.608 127.433 119.800 0.041 0.000 2.417 1451 Q HA 0.367 4.707 4.340 0.000 0.000 0.241 1451 Q C -2.305 173.730 176.000 0.059 0.000 1.008 1451 Q CA -1.687 54.141 55.803 0.042 0.000 0.901 1451 Q CB 0.843 29.590 28.738 0.015 0.000 1.259 1451 Q HN 0.501 nan 8.270 nan 0.000 0.489 1452 P HA 0.109 nan 4.420 nan 0.000 0.274 1452 P C -0.557 176.673 177.300 -0.116 0.000 1.291 1452 P CA 0.017 63.139 63.100 0.038 0.000 0.815 1452 P CB 0.569 32.302 31.700 0.054 0.000 0.897 1453 G N 3.142 111.672 108.800 -0.450 0.000 2.690 1453 G HA2 0.439 4.400 3.960 0.000 0.000 0.239 1453 G HA3 0.439 4.400 3.960 0.000 0.000 0.239 1453 G C -0.586 173.940 174.900 -0.622 0.000 1.233 1453 G CA -0.010 44.716 45.100 -0.623 0.000 0.847 1453 G HN 0.631 nan 8.290 nan 0.000 0.588 1454 A N -0.376 122.226 122.820 -0.363 0.000 2.549 1454 A HA 0.678 4.999 4.320 0.000 0.000 0.297 1454 A C -1.040 176.454 177.584 -0.151 0.000 1.061 1454 A CA -0.481 51.338 52.037 -0.363 0.000 0.690 1454 A CB 1.998 20.552 19.000 -0.743 0.000 1.287 1454 A HN 1.097 nan 8.150 nan 0.000 0.402 1455 V N 1.544 121.373 119.914 -0.142 0.000 2.555 1455 V HA 0.656 4.776 4.120 0.000 0.000 0.302 1455 V C -0.036 175.948 176.094 -0.185 0.000 1.038 1455 V CA -0.489 61.752 62.300 -0.098 0.000 0.887 1455 V CB 1.688 33.487 31.823 -0.040 0.000 0.991 1455 V HN 0.960 nan 8.190 nan 0.000 0.434 1456 K N 3.441 123.723 120.400 -0.197 0.000 2.426 1456 K HA 0.869 5.189 4.320 0.000 0.000 0.251 1456 K C -1.337 175.034 176.600 -0.381 0.000 0.941 1456 K CA -0.542 55.611 56.287 -0.223 0.000 0.808 1456 K CB 2.439 34.853 32.500 -0.143 0.000 1.265 1456 K HN 0.632 nan 8.250 nan 0.000 0.432 1457 V N 0.022 119.659 119.914 -0.462 0.000 3.181 1457 V HA 0.866 4.986 4.120 0.000 0.000 0.308 1457 V C -2.050 173.531 176.094 -0.855 0.000 1.214 1457 V CA -0.576 61.239 62.300 -0.809 0.000 1.053 1457 V CB 1.591 32.950 31.823 -0.774 0.000 1.069 1457 V HN 1.007 nan 8.190 nan 0.000 0.441 1458 Y N -1.146 118.671 120.300 -0.806 0.000 2.705 1458 Y HA 0.756 5.306 4.550 0.000 0.000 0.367 1458 Y C -0.609 175.107 175.900 -0.307 0.000 1.211 1458 Y CA -0.915 56.841 58.100 -0.574 0.000 1.375 1458 Y CB -0.182 38.109 38.460 -0.283 0.000 1.404 1458 Y HN 1.632 nan 8.280 nan 0.000 0.514 1459 A N 2.932 125.775 122.820 0.038 0.000 2.388 1459 A HA 0.422 4.742 4.320 0.000 0.000 0.257 1459 A C 0.904 178.441 177.584 -0.078 0.000 1.095 1459 A CA -0.047 51.949 52.037 -0.069 0.000 0.791 1459 A CB -0.291 18.485 19.000 -0.374 0.000 1.029 1459 A HN 1.459 nan 8.150 nan 0.000 0.489 1460 Y N 2.818 123.129 120.300 0.018 0.000 2.062 1460 Y HA -0.433 4.117 4.550 0.000 0.000 0.276 1460 Y C 1.852 177.758 175.900 0.010 0.000 1.189 1460 Y CA 2.372 60.520 58.100 0.080 0.000 1.130 1460 Y CB -1.361 37.169 38.460 0.117 0.000 0.959 1460 Y HN 0.820 nan 8.280 nan 0.000 0.499 1461 Y N 1.106 120.833 120.300 -0.955 0.000 2.030 1461 Y HA -0.246 4.304 4.550 0.000 0.000 0.272 1461 Y C 0.643 176.349 175.900 -0.323 0.000 1.185 1461 Y CA 1.194 58.799 58.100 -0.826 0.000 1.120 1461 Y CB -1.193 36.889 38.460 -0.630 0.000 0.955 1461 Y HN 0.264 nan 8.280 nan 0.000 0.495 1462 N N 0.087 118.573 118.700 -0.357 0.000 2.354 1462 N HA 0.211 4.951 4.740 0.000 0.000 0.287 1462 N C -0.163 175.207 175.510 -0.233 0.000 1.016 1462 N CA -0.519 52.457 53.050 -0.124 0.000 0.871 1462 N CB 1.787 40.371 38.487 0.162 0.000 1.299 1462 N HN 0.336 nan 8.380 nan 0.000 0.482 1463 L N 3.573 124.669 121.223 -0.212 0.000 2.221 1463 L HA 0.285 4.625 4.340 0.000 0.000 0.202 1463 L C 1.568 178.321 176.870 -0.194 0.000 1.074 1463 L CA 1.480 56.114 54.840 -0.343 0.000 0.795 1463 L CB -0.317 41.539 42.059 -0.338 0.000 0.960 1463 L HN 0.553 nan 8.230 nan 0.000 0.458 1464 E N 0.694 120.842 120.200 -0.086 0.000 2.097 1464 E HA -0.228 4.123 4.350 0.000 0.000 0.196 1464 E C 1.046 177.663 176.600 0.027 0.000 1.000 1464 E CA 1.540 57.927 56.400 -0.022 0.000 0.804 1464 E CB -0.319 29.385 29.700 0.006 0.000 0.740 1464 E HN 0.599 nan 8.360 nan 0.000 0.454 1465 E N 1.597 121.834 120.200 0.062 0.000 3.079 1465 E HA 0.022 4.372 4.350 0.000 0.000 0.267 1465 E C -0.192 176.532 176.600 0.207 0.000 1.509 1465 E CA 0.018 56.508 56.400 0.149 0.000 1.630 1465 E CB -0.624 29.197 29.700 0.202 0.000 1.373 1465 E HN 0.106 nan 8.360 nan 0.000 0.439 1466 S N -0.003 115.777 115.700 0.133 0.000 2.645 1466 S HA 0.354 4.824 4.470 0.000 0.000 0.266 1466 S C -0.059 174.616 174.600 0.126 0.000 1.258 1466 S CA -0.949 57.329 58.200 0.131 0.000 0.990 1466 S CB 1.762 65.033 63.200 0.118 0.000 0.967 1466 S HN 0.431 nan 8.310 nan 0.000 0.556 1467 c N 1.614 120.245 118.600 0.051 0.000 2.686 1467 c HA 0.783 5.354 4.570 0.000 0.000 0.318 1467 c C -0.875 173.206 174.090 -0.015 0.000 1.160 1467 c CA -0.223 56.140 56.329 0.058 0.000 1.396 1467 c CB 0.743 43.320 42.510 0.112 0.000 1.924 1467 c HN 1.011 nan 8.230 nan 0.000 0.471 1468 T N 4.726 119.284 114.554 0.006 0.000 3.009 1468 T HA 0.436 4.786 4.350 0.000 0.000 0.346 1468 T C -0.366 174.319 174.700 -0.026 0.000 1.092 1468 T CA -0.598 61.455 62.100 -0.079 0.000 1.080 1468 T CB 0.542 69.362 68.868 -0.079 0.000 1.037 1468 T HN 0.615 nan 8.240 nan 0.000 0.487 1469 R N 1.413 121.887 120.500 -0.044 0.000 2.543 1469 R HA 0.808 5.149 4.340 0.000 0.000 0.268 1469 R C -0.744 175.533 176.300 -0.038 0.000 1.067 1469 R CA -1.469 54.670 56.100 0.064 0.000 1.142 1469 R CB 0.179 30.520 30.300 0.069 0.000 1.110 1469 R HN 0.509 nan 8.270 nan 0.000 0.549 1470 F N 0.330 120.307 119.950 0.045 0.000 2.611 1470 F HA 0.483 5.010 4.527 0.000 0.000 0.324 1470 F C -0.335 175.525 175.800 0.102 0.000 1.061 1470 F CA -0.689 57.323 58.000 0.020 0.000 0.954 1470 F CB 1.256 40.234 39.000 -0.036 0.000 1.301 1470 F HN 0.461 nan 8.300 nan 0.000 0.482 1471 Y N -0.950 119.450 120.300 0.167 0.000 2.588 1471 Y HA 0.779 5.329 4.550 0.000 0.000 0.343 1471 Y C -1.425 174.535 175.900 0.100 0.000 1.065 1471 Y CA -1.004 57.140 58.100 0.074 0.000 1.038 1471 Y CB 1.738 40.179 38.460 -0.032 0.000 1.297 1471 Y HN 0.714 nan 8.280 nan 0.000 0.467 1472 H N 1.045 120.173 119.070 0.096 0.000 3.060 1472 H HA 0.254 4.810 4.556 0.000 0.000 0.330 1472 H C -2.731 172.594 175.328 -0.006 0.000 1.305 1472 H CA -1.640 54.393 56.048 -0.026 0.000 1.209 1472 H CB 2.927 32.647 29.762 -0.069 0.000 1.913 1472 H HN 0.527 nan 8.280 nan 0.000 0.534 1473 P HA 0.039 nan 4.420 nan 0.000 0.215 1473 P C 0.821 178.175 177.300 0.089 0.000 1.160 1473 P CA 1.020 64.045 63.100 -0.125 0.000 0.869 1473 P CB 0.946 32.487 31.700 -0.264 0.000 0.782 1474 E N -0.003 120.373 120.200 0.293 0.000 2.022 1474 E HA 0.002 4.352 4.350 0.000 0.000 0.193 1474 E C 0.354 177.046 176.600 0.155 0.000 0.969 1474 E CA 0.365 56.894 56.400 0.215 0.000 0.834 1474 E CB -0.352 29.449 29.700 0.168 0.000 0.798 1474 E HN 0.034 nan 8.360 nan 0.000 0.467 1475 K N 2.046 122.458 120.400 0.021 0.000 2.548 1475 K HA -0.164 4.156 4.320 0.000 0.000 0.277 1475 K C 0.822 177.419 176.600 -0.005 0.000 1.001 1475 K CA 0.371 56.579 56.287 -0.131 0.000 1.102 1475 K CB 0.265 32.521 32.500 -0.407 0.000 0.848 1475 K HN 0.187 nan 8.250 nan 0.000 0.487 1476 E N 1.917 122.105 120.200 -0.019 0.000 2.049 1476 E HA -0.273 4.077 4.350 0.000 0.000 0.198 1476 E C 0.242 176.859 176.600 0.029 0.000 1.007 1476 E CA 1.676 58.081 56.400 0.008 0.000 0.809 1476 E CB 0.229 29.926 29.700 -0.004 0.000 0.749 1476 E HN 0.533 nan 8.360 nan 0.000 0.450 1477 D N -2.987 117.420 120.400 0.012 0.000 2.539 1477 D HA 0.174 4.814 4.640 0.000 0.000 0.232 1477 D C 0.617 176.950 176.300 0.055 0.000 1.256 1477 D CA 0.726 54.747 54.000 0.034 0.000 0.810 1477 D CB 1.433 42.239 40.800 0.011 0.000 1.090 1477 D HN 0.369 nan 8.370 nan 0.000 0.519 1478 G N 1.188 110.010 108.800 0.036 0.000 2.284 1478 G HA2 -0.276 3.684 3.960 0.000 0.000 0.230 1478 G HA3 -0.276 3.684 3.960 0.000 0.000 0.230 1478 G C 0.494 175.269 174.900 -0.209 0.000 1.021 1478 G CA -0.240 44.875 45.100 0.026 0.000 0.619 1478 G HN 0.138 nan 8.290 nan 0.000 0.510 1479 K N 2.049 122.331 120.400 -0.197 0.000 2.402 1479 K HA 0.524 4.845 4.320 0.000 0.000 0.285 1479 K C 1.307 177.773 176.600 -0.224 0.000 1.054 1479 K CA -0.197 55.940 56.287 -0.250 0.000 1.001 1479 K CB 0.182 32.587 32.500 -0.160 0.000 0.946 1479 K HN 0.406 nan 8.250 nan 0.000 0.473 1480 L N 2.526 123.599 121.223 -0.251 0.000 2.489 1480 L HA -0.063 4.277 4.340 0.000 0.000 0.285 1480 L C 0.353 177.130 176.870 -0.155 0.000 1.259 1480 L CA 0.226 54.945 54.840 -0.201 0.000 0.828 1480 L CB 0.206 42.157 42.059 -0.180 0.000 1.094 1480 L HN 0.628 nan 8.230 nan 0.000 0.524 1481 N N 2.510 121.128 118.700 -0.136 0.000 2.402 1481 N HA 0.183 4.923 4.740 0.000 0.000 0.252 1481 N C -0.634 174.816 175.510 -0.100 0.000 1.118 1481 N CA -0.083 52.903 53.050 -0.107 0.000 0.945 1481 N CB 0.572 39.001 38.487 -0.097 0.000 1.147 1481 N HN 0.409 nan 8.380 nan 0.000 0.495 1482 K N 0.229 120.571 120.400 -0.096 0.000 2.426 1482 K HA 0.515 4.835 4.320 0.000 0.000 0.251 1482 K C -1.398 175.136 176.600 -0.109 0.000 0.941 1482 K CA -0.995 55.233 56.287 -0.098 0.000 0.808 1482 K CB 1.579 34.026 32.500 -0.088 0.000 1.265 1482 K HN 0.087 nan 8.250 nan 0.000 0.432 1483 L N 3.092 124.230 121.223 -0.143 0.000 2.283 1483 L HA 0.391 4.731 4.340 0.000 0.000 0.281 1483 L C -1.612 175.153 176.870 -0.174 0.000 1.033 1483 L CA -0.478 54.244 54.840 -0.198 0.000 0.848 1483 L CB 0.478 42.364 42.059 -0.287 0.000 1.226 1483 L HN 0.833 nan 8.230 nan 0.000 0.429 1484 c N 4.827 123.296 118.600 -0.218 0.000 2.316 1484 c HA 0.560 5.130 4.570 0.000 0.000 0.324 1484 c C 0.371 174.298 174.090 -0.271 0.000 1.226 1484 c CA -0.964 55.293 56.329 -0.120 0.000 1.450 1484 c CB 0.579 43.009 42.510 -0.134 0.000 2.123 1484 c HN 0.727 nan 8.230 nan 0.000 0.454 1485 R N 2.661 123.193 120.500 0.053 0.000 2.265 1485 R HA 0.347 4.687 4.340 0.000 0.000 0.328 1485 R C 0.100 176.344 176.300 -0.093 0.000 0.969 1485 R CA 0.109 56.181 56.100 -0.046 0.000 0.832 1485 R CB 0.456 30.833 30.300 0.128 0.000 1.139 1485 R HN 0.928 nan 8.270 nan 0.000 0.457 1486 D N 1.837 122.188 120.400 -0.083 0.000 4.493 1486 D HA -0.284 4.356 4.640 0.000 0.000 0.184 1486 D C 0.472 176.732 176.300 -0.068 0.000 0.799 1486 D CA 2.155 56.111 54.000 -0.074 0.000 1.795 1486 D CB -0.263 40.479 40.800 -0.096 0.000 1.062 1486 D HN 0.666 nan 8.370 nan 0.000 0.445 1487 E N -0.428 119.724 120.200 -0.081 0.000 2.905 1487 E HA 0.157 4.508 4.350 0.000 0.000 0.197 1487 E C 0.398 176.977 176.600 -0.035 0.000 1.016 1487 E CA -0.502 55.865 56.400 -0.055 0.000 1.307 1487 E CB 0.646 30.312 29.700 -0.056 0.000 1.255 1487 E HN 0.073 nan 8.360 nan 0.000 0.527 1488 L N 1.565 122.749 121.223 -0.066 0.000 2.581 1488 L HA -0.104 4.236 4.340 0.000 0.000 0.299 1488 L C -0.710 176.252 176.870 0.153 0.000 1.261 1488 L CA 0.774 55.606 54.840 -0.012 0.000 0.866 1488 L CB 0.235 42.178 42.059 -0.192 0.000 1.113 1488 L HN 0.233 nan 8.230 nan 0.000 0.514 1489 c N 4.760 123.481 118.600 0.202 0.000 2.782 1489 c HA 0.719 5.289 4.570 0.000 0.000 0.328 1489 c C -0.135 174.047 174.090 0.152 0.000 1.145 1489 c CA -0.908 55.537 56.329 0.194 0.000 1.358 1489 c CB 1.815 44.360 42.510 0.057 0.000 1.841 1489 c HN 0.991 nan 8.230 nan 0.000 0.477 1490 R N 1.349 121.870 120.500 0.036 0.000 2.939 1490 R HA 0.854 5.194 4.340 0.000 0.000 0.254 1490 R C -0.619 175.627 176.300 -0.091 0.000 1.123 1490 R CA -0.403 55.673 56.100 -0.041 0.000 1.020 1490 R CB 0.713 30.935 30.300 -0.131 0.000 1.206 1490 R HN 0.658 nan 8.270 nan 0.000 0.491 1491 C N -0.136 119.117 119.300 -0.077 0.000 2.443 1491 C HA 0.780 5.240 4.460 0.000 0.000 0.369 1491 C C 0.393 175.325 174.990 -0.097 0.000 1.241 1491 C CA 0.456 59.428 59.018 -0.077 0.000 2.413 1491 C CB 0.723 28.432 27.740 -0.053 0.000 2.451 1491 C HN 0.849 nan 8.230 nan 0.000 0.595 1492 A N 3.166 125.933 122.820 -0.090 0.000 3.165 1492 A HA 0.319 4.639 4.320 0.000 0.000 0.212 1492 A C 0.572 178.108 177.584 -0.079 0.000 0.935 1492 A CA -0.039 51.947 52.037 -0.086 0.000 1.100 1492 A CB -0.145 18.799 19.000 -0.093 0.000 1.260 1492 A HN 0.836 nan 8.150 nan 0.000 0.532 1493 E N 0.949 121.104 120.200 -0.075 0.000 2.415 1493 E HA -0.014 4.337 4.350 0.000 0.000 0.197 1493 E C 0.974 177.532 176.600 -0.071 0.000 1.007 1493 E CA 0.256 56.609 56.400 -0.078 0.000 0.890 1493 E CB 0.254 29.906 29.700 -0.080 0.000 0.891 1493 E HN 0.931 nan 8.360 nan 0.000 0.496 1494 E N 1.305 121.468 120.200 -0.061 0.000 2.665 1494 E HA -0.078 4.272 4.350 0.000 0.000 0.269 1494 E C 0.126 176.678 176.600 -0.080 0.000 1.432 1494 E CA 0.084 56.447 56.400 -0.061 0.000 1.176 1494 E CB 0.154 29.825 29.700 -0.047 0.000 0.966 1494 E HN -0.130 nan 8.360 nan 0.000 0.581 1495 N N -0.991 117.650 118.700 -0.098 0.000 2.431 1495 N HA 0.127 4.867 4.740 0.000 0.000 0.289 1495 N C 0.718 176.145 175.510 -0.140 0.000 1.277 1495 N CA -0.489 52.472 53.050 -0.148 0.000 0.972 1495 N CB 0.044 38.406 38.487 -0.208 0.000 1.143 1495 N HN 0.512 nan 8.380 nan 0.000 0.578 1496 c N -1.230 117.249 118.600 -0.201 0.000 2.568 1496 c HA 0.284 4.854 4.570 0.000 0.000 0.284 1496 c C 0.937 175.003 174.090 -0.041 0.000 1.338 1496 c CA 0.162 56.437 56.329 -0.091 0.000 1.724 1496 c CB -0.910 41.598 42.510 -0.003 0.000 2.131 1496 c HN 0.752 nan 8.230 nan 0.000 0.513 1497 F N -0.689 119.155 119.950 -0.177 0.000 3.012 1497 F HA 0.831 5.358 4.527 0.000 0.000 0.346 1497 F C -0.256 175.368 175.800 -0.294 0.000 1.239 1497 F CA -1.808 56.025 58.000 -0.279 0.000 1.028 1497 F CB -0.433 38.317 39.000 -0.417 0.000 1.497 1497 F HN 0.153 nan 8.300 nan 0.000 0.521 1505 V N 2.039 122.006 119.914 0.089 0.000 2.630 1505 V HA 0.620 4.741 4.120 0.000 0.000 0.305 1505 V C -0.069 176.046 176.094 0.035 0.000 1.046 1505 V CA -0.274 62.088 62.300 0.103 0.000 0.934 1505 V CB 1.424 33.353 31.823 0.178 0.000 1.003 1505 V HN 0.375 nan 8.190 nan 0.000 0.451 1506 T N 0.172 114.729 114.554 0.005 0.000 2.840 1506 T HA 0.404 4.754 4.350 0.000 0.000 0.317 1506 T C 0.533 175.210 174.700 -0.039 0.000 1.401 1506 T CA -0.662 61.428 62.100 -0.017 0.000 1.028 1506 T CB 1.453 70.318 68.868 -0.006 0.000 1.317 1506 T HN 0.354 nan 8.240 nan 0.000 0.495 1507 L N 0.195 121.403 121.223 -0.025 0.000 2.089 1507 L HA -0.188 4.152 4.340 0.000 0.000 0.213 1507 L C 2.122 179.003 176.870 0.019 0.000 1.079 1507 L CA 1.974 56.819 54.840 0.008 0.000 0.758 1507 L CB -0.180 41.892 42.059 0.022 0.000 0.891 1507 L HN 0.812 nan 8.230 nan 0.000 0.433 1508 E N -1.193 119.002 120.200 -0.009 0.000 2.307 1508 E HA -0.106 4.244 4.350 0.000 0.000 0.195 1508 E C 1.905 178.483 176.600 -0.037 0.000 0.975 1508 E CA 0.067 56.457 56.400 -0.018 0.000 0.878 1508 E CB 0.126 29.814 29.700 -0.021 0.000 0.845 1508 E HN 0.214 nan 8.360 nan 0.000 0.488 1509 E N 0.654 120.829 120.200 -0.042 0.000 2.273 1509 E HA -0.169 4.181 4.350 0.000 0.000 0.198 1509 E C 1.547 178.070 176.600 -0.128 0.000 1.002 1509 E CA 0.978 57.343 56.400 -0.059 0.000 0.828 1509 E CB 0.011 29.692 29.700 -0.030 0.000 0.747 1509 E HN 0.267 nan 8.360 nan 0.000 0.491 1510 R N -0.785 119.630 120.500 -0.142 0.000 2.146 1510 R HA 0.216 4.556 4.340 0.000 0.000 0.206 1510 R C 2.197 178.441 176.300 -0.092 0.000 1.049 1510 R CA 0.012 55.962 56.100 -0.251 0.000 1.029 1510 R CB -0.024 30.017 30.300 -0.432 0.000 0.949 1510 R HN 0.066 nan 8.270 nan 0.000 0.471 1511 L N 1.051 122.289 121.223 0.025 0.000 2.610 1511 L HA -0.069 4.271 4.340 0.000 0.000 0.232 1511 L C 0.920 177.743 176.870 -0.079 0.000 1.149 1511 L CA 0.654 55.485 54.840 -0.015 0.000 0.872 1511 L CB 0.021 42.061 42.059 -0.032 0.000 0.992 1511 L HN 0.129 nan 8.230 nan 0.000 0.447 1512 D N -0.426 119.924 120.400 -0.082 0.000 2.805 1512 D HA -0.047 4.594 4.640 0.000 0.000 0.271 1512 D C 1.778 178.032 176.300 -0.076 0.000 1.166 1512 D CA 0.745 54.704 54.000 -0.069 0.000 1.004 1512 D CB 0.280 41.053 40.800 -0.045 0.000 1.136 1512 D HN -0.085 nan 8.370 nan 0.000 0.444 1513 K N -0.004 120.347 120.400 -0.081 0.000 2.585 1513 K HA 0.114 4.434 4.320 0.000 0.000 0.194 1513 K C 0.221 176.840 176.600 0.032 0.000 1.037 1513 K CA 0.490 56.782 56.287 0.008 0.000 0.964 1513 K CB 0.269 32.764 32.500 -0.008 0.000 0.787 1513 K HN 0.016 nan 8.250 nan 0.000 0.488 1514 A N -0.146 122.471 122.820 -0.339 0.000 2.985 1514 A HA 0.256 4.576 4.320 0.000 0.000 0.303 1514 A C 0.279 177.634 177.584 -0.380 0.000 1.048 1514 A CA -0.584 50.995 52.037 -0.764 0.000 1.016 1514 A CB -0.052 17.984 19.000 -1.606 0.000 1.118 1514 A HN 0.314 nan 8.150 nan 0.000 0.529 1515 c N -0.929 117.568 118.600 -0.173 0.000 4.183 1515 c HA 0.153 4.724 4.570 0.000 0.000 0.332 1515 c C 0.897 174.963 174.090 -0.039 0.000 2.007 1515 c CA -0.542 55.722 56.329 -0.109 0.000 1.657 1515 c CB -0.900 41.544 42.510 -0.110 0.000 3.022 1515 c HN 0.760 nan 8.230 nan 0.000 0.579 1516 E N 2.720 122.917 120.200 -0.005 0.000 2.569 1516 E HA 0.029 4.379 4.350 0.000 0.000 0.258 1516 E C -1.227 175.396 176.600 0.038 0.000 1.390 1516 E CA -0.603 55.813 56.400 0.027 0.000 1.049 1516 E CB 0.328 30.063 29.700 0.059 0.000 1.009 1516 E HN 0.173 nan 8.360 nan 0.000 0.580 1517 P HA -0.232 nan 4.420 nan 0.000 0.208 1517 P C 1.468 178.817 177.300 0.082 0.000 1.189 1517 P CA 1.794 64.929 63.100 0.058 0.000 0.931 1517 P CB -0.525 31.211 31.700 0.059 0.000 0.783 1518 G N 0.379 109.240 108.800 0.101 0.000 2.596 1518 G HA2 -0.241 3.720 3.960 0.000 0.000 0.223 1518 G HA3 -0.241 3.720 3.960 0.000 0.000 0.223 1518 G C 0.667 175.658 174.900 0.151 0.000 1.120 1518 G CA 0.623 45.803 45.100 0.133 0.000 0.752 1518 G HN 0.291 nan 8.290 nan 0.000 0.596 1519 V N 1.050 121.040 119.914 0.126 0.000 2.458 1519 V HA 0.146 4.266 4.120 0.000 0.000 0.287 1519 V C 0.905 177.058 176.094 0.099 0.000 1.009 1519 V CA 1.408 63.770 62.300 0.102 0.000 1.091 1519 V CB 1.109 32.945 31.823 0.020 0.000 0.960 1519 V HN 0.446 nan 8.190 nan 0.000 0.476 1520 D N 2.675 123.166 120.400 0.152 0.000 2.318 1520 D HA 0.154 4.794 4.640 0.000 0.000 0.294 1520 D C -0.037 176.428 176.300 0.275 0.000 1.091 1520 D CA -0.108 54.034 54.000 0.238 0.000 0.883 1520 D CB 0.615 41.641 40.800 0.378 0.000 1.545 1520 D HN 0.624 nan 8.370 nan 0.000 0.513 1521 Y N -0.816 119.557 120.300 0.123 0.000 2.499 1521 Y HA 0.736 5.287 4.550 0.000 0.000 0.347 1521 Y C -1.353 174.433 175.900 -0.191 0.000 0.987 1521 Y CA -1.308 56.713 58.100 -0.131 0.000 1.044 1521 Y CB 1.703 40.061 38.460 -0.170 0.000 1.245 1521 Y HN -0.269 nan 8.280 nan 0.000 0.461 1522 V N 4.033 123.719 119.914 -0.380 0.000 2.624 1522 V HA 0.319 4.439 4.120 0.000 0.000 0.294 1522 V C -1.620 174.427 176.094 -0.078 0.000 1.077 1522 V CA -0.847 61.390 62.300 -0.104 0.000 0.905 1522 V CB 0.602 32.443 31.823 0.030 0.000 1.025 1522 V HN 0.760 nan 8.190 nan 0.000 0.440 1523 Y N 1.782 122.290 120.300 0.347 0.000 2.536 1523 Y HA 0.622 5.172 4.550 0.000 0.000 0.347 1523 Y C 0.110 176.151 175.900 0.236 0.000 1.000 1523 Y CA -1.691 56.562 58.100 0.255 0.000 1.051 1523 Y CB 2.060 40.646 38.460 0.209 0.000 1.259 1523 Y HN 0.525 nan 8.280 nan 0.000 0.468 1524 K N 2.129 122.717 120.400 0.312 0.000 2.334 1524 K HA 0.524 4.845 4.320 0.000 0.000 0.265 1524 K C -1.226 175.388 176.600 0.024 0.000 1.039 1524 K CA -0.305 56.036 56.287 0.090 0.000 0.920 1524 K CB 0.455 32.781 32.500 -0.289 0.000 1.160 1524 K HN 0.869 nan 8.250 nan 0.000 0.451 1525 T N 1.103 115.702 114.554 0.075 0.000 2.861 1525 T HA 0.388 4.738 4.350 0.000 0.000 0.287 1525 T C -0.549 174.165 174.700 0.024 0.000 1.003 1525 T CA -1.026 61.099 62.100 0.040 0.000 0.977 1525 T CB 1.698 70.584 68.868 0.030 0.000 0.996 1525 T HN 0.596 nan 8.240 nan 0.000 0.448 1526 R N 1.908 122.356 120.500 -0.085 0.000 2.368 1526 R HA 0.554 4.894 4.340 0.000 0.000 0.302 1526 R C -0.959 175.268 176.300 -0.121 0.000 1.002 1526 R CA -0.978 54.953 56.100 -0.281 0.000 0.929 1526 R CB 0.876 30.834 30.300 -0.569 0.000 1.073 1526 R HN 0.640 nan 8.270 nan 0.000 0.464 1527 L N 6.030 127.211 121.223 -0.070 0.000 2.260 1527 L HA 0.188 4.529 4.340 0.000 0.000 0.289 1527 L C 0.163 177.022 176.870 -0.018 0.000 1.057 1527 L CA 0.163 54.992 54.840 -0.018 0.000 0.811 1527 L CB 1.486 43.554 42.059 0.014 0.000 1.184 1527 L HN 0.586 nan 8.230 nan 0.000 0.429 1528 V N 3.548 123.462 119.914 -0.001 0.000 2.251 1528 V HA 0.056 4.176 4.120 0.000 0.000 0.237 1528 V C 1.049 177.156 176.094 0.021 0.000 1.040 1528 V CA 0.882 63.184 62.300 0.003 0.000 1.005 1528 V CB -0.526 31.302 31.823 0.008 0.000 0.645 1528 V HN 0.697 nan 8.190 nan 0.000 0.458 1529 K N 0.164 120.587 120.400 0.039 0.000 2.159 1529 K HA 0.555 4.876 4.320 0.000 0.000 0.266 1529 K C -1.328 175.317 176.600 0.076 0.000 0.975 1529 K CA -0.299 56.011 56.287 0.038 0.000 0.865 1529 K CB 1.992 34.504 32.500 0.020 0.000 1.087 1529 K HN 0.085 nan 8.250 nan 0.000 0.446 1530 V N 4.966 124.920 119.914 0.066 0.000 2.266 1530 V HA 0.128 4.248 4.120 0.000 0.000 0.266 1530 V C -0.110 175.970 176.094 -0.023 0.000 1.036 1530 V CA -0.666 61.696 62.300 0.103 0.000 0.828 1530 V CB 0.688 32.612 31.823 0.169 0.000 1.081 1530 V HN 0.803 nan 8.190 nan 0.000 0.449 1531 Q N 2.413 122.144 119.800 -0.114 0.000 2.544 1531 Q HA 0.705 5.046 4.340 0.000 0.000 0.194 1531 Q C -0.655 175.223 176.000 -0.204 0.000 1.104 1531 Q CA -0.232 55.482 55.803 -0.149 0.000 1.131 1531 Q CB 1.310 29.946 28.738 -0.169 0.000 1.210 1531 Q HN 0.485 nan 8.270 nan 0.000 0.639 1532 L N -1.021 120.091 121.223 -0.185 0.000 2.710 1532 L HA 0.443 4.783 4.340 0.000 0.000 0.260 1532 L C -1.479 175.291 176.870 -0.167 0.000 0.993 1532 L CA -0.354 54.375 54.840 -0.186 0.000 0.877 1532 L CB 2.665 44.655 42.059 -0.114 0.000 1.461 1532 L HN 0.620 nan 8.230 nan 0.000 0.413 1533 S N 0.024 115.631 115.700 -0.156 0.000 2.625 1533 S HA 0.300 4.770 4.470 0.000 0.000 0.271 1533 S C -0.008 174.570 174.600 -0.038 0.000 1.161 1533 S CA -0.619 57.522 58.200 -0.099 0.000 0.820 1533 S CB 1.738 64.858 63.200 -0.133 0.000 1.137 1533 S HN 0.689 nan 8.310 nan 0.000 0.470 1534 N N 1.115 119.816 118.700 0.000 0.000 2.512 1534 N HA -0.081 4.659 4.740 0.000 0.000 0.183 1534 N C 0.514 176.050 175.510 0.043 0.000 1.073 1534 N CA 1.395 54.454 53.050 0.015 0.000 0.911 1534 N CB -0.106 38.392 38.487 0.017 0.000 0.964 1534 N HN 0.647 nan 8.380 nan 0.000 0.447 1535 D N -1.120 119.336 120.400 0.093 0.000 2.845 1535 D HA 0.074 4.714 4.640 0.000 0.000 0.272 1535 D C 0.273 176.720 176.300 0.244 0.000 1.275 1535 D CA 0.273 54.374 54.000 0.168 0.000 1.029 1535 D CB -0.474 40.472 40.800 0.243 0.000 1.131 1535 D HN 0.293 nan 8.370 nan 0.000 0.423 1536 F N 0.669 120.596 119.950 -0.037 0.000 2.536 1536 F HA 0.560 5.088 4.527 0.000 0.000 0.322 1536 F C -1.652 174.101 175.800 -0.079 0.000 1.144 1536 F CA -1.623 56.346 58.000 -0.052 0.000 0.924 1536 F CB 1.552 40.529 39.000 -0.037 0.000 1.181 1536 F HN -0.234 nan 8.300 nan 0.000 0.438 1537 D N 2.101 122.364 120.400 -0.229 0.000 2.210 1537 D HA 0.404 5.044 4.640 0.000 0.000 0.249 1537 D C -0.719 175.281 176.300 -0.500 0.000 1.062 1537 D CA -0.478 53.281 54.000 -0.402 0.000 0.891 1537 D CB 1.603 42.216 40.800 -0.312 0.000 1.186 1537 D HN 0.830 nan 8.370 nan 0.000 0.432 1538 E N -0.219 119.620 120.200 -0.601 0.000 2.370 1538 E HA 0.585 4.935 4.350 0.000 0.000 0.259 1538 E C -1.149 175.037 176.600 -0.691 0.000 0.947 1538 E CA -1.157 54.949 56.400 -0.491 0.000 0.809 1538 E CB 1.273 30.812 29.700 -0.268 0.000 1.300 1538 E HN 0.414 nan 8.360 nan 0.000 0.419 1539 Y N -0.007 120.317 120.300 0.040 0.000 2.332 1539 Y HA 0.344 4.894 4.550 0.000 0.000 0.325 1539 Y C -0.549 175.398 175.900 0.078 0.000 1.054 1539 Y CA -0.834 57.281 58.100 0.025 0.000 1.119 1539 Y CB 1.519 39.967 38.460 -0.021 0.000 1.168 1539 Y HN 0.402 nan 8.280 nan 0.000 0.439 1540 I N 5.240 125.917 120.570 0.178 0.000 2.243 1540 I HA 0.225 4.395 4.170 0.000 0.000 0.297 1540 I C -0.279 175.908 176.117 0.116 0.000 1.161 1540 I CA 0.276 61.659 61.300 0.140 0.000 1.298 1540 I CB -0.189 37.859 38.000 0.080 0.000 1.475 1540 I HN 0.482 nan 8.210 nan 0.000 0.561 1541 M N 4.110 123.789 119.600 0.131 0.000 2.363 1541 M HA 0.563 5.043 4.480 0.000 0.000 0.343 1541 M C 0.047 176.373 176.300 0.043 0.000 1.165 1541 M CA -0.456 54.869 55.300 0.041 0.000 1.046 1541 M CB 2.072 34.627 32.600 -0.075 0.000 1.648 1541 M HN 0.482 nan 8.290 nan 0.000 0.452 1542 A N 3.841 126.661 122.820 -0.000 0.000 2.292 1542 A HA 0.673 4.994 4.320 0.000 0.000 0.319 1542 A C -0.254 177.309 177.584 -0.035 0.000 1.206 1542 A CA -0.762 51.269 52.037 -0.011 0.000 0.835 1542 A CB 0.189 19.177 19.000 -0.020 0.000 1.164 1542 A HN 0.887 nan 8.150 nan 0.000 0.505 1543 I N 2.284 122.814 120.570 -0.067 0.000 2.421 1543 I HA 0.106 4.276 4.170 0.000 0.000 0.291 1543 I C 0.769 176.850 176.117 -0.061 0.000 1.089 1543 I CA 0.099 61.330 61.300 -0.115 0.000 1.354 1543 I CB 0.459 38.275 38.000 -0.306 0.000 1.413 1543 I HN 0.815 nan 8.210 nan 0.000 0.513 1544 E N 5.172 125.354 120.200 -0.029 0.000 2.318 1544 E HA -0.043 4.307 4.350 0.000 0.000 0.193 1544 E C -0.054 176.535 176.600 -0.018 0.000 0.998 1544 E CA 0.432 56.816 56.400 -0.026 0.000 0.859 1544 E CB 0.312 29.993 29.700 -0.031 0.000 0.812 1544 E HN 0.753 nan 8.360 nan 0.000 0.492 1545 Q N 0.160 119.972 119.800 0.019 0.000 2.380 1545 Q HA 0.151 4.491 4.340 0.000 0.000 0.245 1545 Q C -0.890 175.216 176.000 0.176 0.000 0.893 1545 Q CA -0.564 55.278 55.803 0.066 0.000 0.922 1545 Q CB 0.526 29.292 28.738 0.046 0.000 1.432 1545 Q HN -0.101 nan 8.270 nan 0.000 0.434 1546 T N 1.113 115.772 114.554 0.174 0.000 3.121 1546 T HA 0.216 4.566 4.350 0.000 0.000 0.256 1546 T C 1.056 175.919 174.700 0.271 0.000 0.942 1546 T CA -0.219 62.071 62.100 0.318 0.000 1.158 1546 T CB -0.452 68.559 68.868 0.238 0.000 0.963 1546 T HN 0.680 nan 8.240 nan 0.000 0.660 1547 I N 0.754 121.503 120.570 0.299 0.000 2.202 1547 I HA 0.021 4.192 4.170 0.000 0.000 0.242 1547 I C 1.617 177.795 176.117 0.103 0.000 1.091 1547 I CA 1.091 62.493 61.300 0.171 0.000 1.368 1547 I CB -0.035 38.074 38.000 0.182 0.000 1.058 1547 I HN 0.506 nan 8.210 nan 0.000 0.410 1548 K N 1.302 121.770 120.400 0.114 0.000 2.668 1548 K HA 0.266 4.586 4.320 0.000 0.000 0.246 1548 K C -0.933 175.758 176.600 0.152 0.000 0.976 1548 K CA -0.231 56.105 56.287 0.083 0.000 0.902 1548 K CB 1.582 34.088 32.500 0.010 0.000 1.172 1548 K HN -0.104 nan 8.250 nan 0.000 0.452 1549 S N 1.271 117.082 115.700 0.186 0.000 2.560 1549 S HA 0.317 4.787 4.470 0.000 0.000 0.284 1549 S C 0.419 175.154 174.600 0.225 0.000 1.327 1549 S CA 0.042 58.389 58.200 0.245 0.000 1.055 1549 S CB 1.101 64.410 63.200 0.182 0.000 0.868 1549 S HN 0.752 nan 8.310 nan 0.000 0.506 1550 G N 0.543 109.522 108.800 0.299 0.000 3.211 1550 G HA2 0.412 4.372 3.960 0.000 0.000 0.262 1550 G HA3 0.412 4.372 3.960 0.000 0.000 0.262 1550 G C 0.355 175.352 174.900 0.162 0.000 1.352 1550 G CA -0.718 44.543 45.100 0.269 0.000 1.004 1550 G HN 0.565 nan 8.290 nan 0.000 0.559 1551 S N -0.435 115.282 115.700 0.028 0.000 2.626 1551 S HA -0.009 4.461 4.470 0.000 0.000 0.245 1551 S C 0.206 174.694 174.600 -0.187 0.000 0.973 1551 S CA 0.891 59.000 58.200 -0.152 0.000 0.959 1551 S CB -0.206 62.790 63.200 -0.340 0.000 0.762 1551 S HN 0.546 nan 8.310 nan 0.000 0.539 1552 D N 2.042 122.452 120.400 0.016 0.000 2.349 1552 D HA 0.144 4.784 4.640 0.000 0.000 0.232 1552 D C -0.559 175.837 176.300 0.160 0.000 1.071 1552 D CA -0.460 53.619 54.000 0.132 0.000 0.832 1552 D CB 0.667 41.735 40.800 0.448 0.000 1.086 1552 D HN -0.095 nan 8.370 nan 0.000 0.504 1553 E N 3.079 123.333 120.200 0.090 0.000 1.802 1553 E HA 0.143 4.493 4.350 0.000 0.000 0.265 1553 E C -0.625 176.027 176.600 0.086 0.000 1.168 1553 E CA -0.244 56.206 56.400 0.083 0.000 1.033 1553 E CB 0.995 30.724 29.700 0.047 0.000 1.095 1553 E HN 0.147 nan 8.360 nan 0.000 0.436 1554 V N 3.210 123.190 119.914 0.109 0.000 2.378 1554 V HA 0.143 4.263 4.120 0.000 0.000 0.288 1554 V C -0.367 175.754 176.094 0.045 0.000 1.016 1554 V CA -0.741 61.601 62.300 0.071 0.000 0.840 1554 V CB 1.735 33.595 31.823 0.061 0.000 0.994 1554 V HN 0.420 nan 8.190 nan 0.000 0.431 1555 Q N 3.665 123.484 119.800 0.032 0.000 2.364 1555 Q HA 0.354 4.694 4.340 0.000 0.000 0.267 1555 Q C -0.174 175.829 176.000 0.005 0.000 0.999 1555 Q CA 0.103 55.920 55.803 0.024 0.000 0.886 1555 Q CB 1.355 30.106 28.738 0.021 0.000 1.243 1555 Q HN 0.727 nan 8.270 nan 0.000 0.415 1556 V N 2.669 122.589 119.914 0.009 0.000 2.726 1556 V HA 0.111 4.231 4.120 0.000 0.000 0.304 1556 V C 1.530 177.618 176.094 -0.010 0.000 1.115 1556 V CA 1.646 63.944 62.300 -0.004 0.000 1.264 1556 V CB -0.452 31.377 31.823 0.011 0.000 0.867 1556 V HN 1.072 nan 8.190 nan 0.000 0.498 1557 G N 2.739 111.524 108.800 -0.024 0.000 2.254 1557 G HA2 -0.206 3.755 3.960 0.000 0.000 0.225 1557 G HA3 -0.206 3.755 3.960 0.000 0.000 0.225 1557 G C 0.200 175.092 174.900 -0.012 0.000 1.003 1557 G CA 0.172 45.262 45.100 -0.016 0.000 0.622 1557 G HN 0.682 nan 8.290 nan 0.000 0.507 1558 Q N 0.707 120.500 119.800 -0.013 0.000 2.421 1558 Q HA 0.450 4.790 4.340 0.000 0.000 0.255 1558 Q C 0.310 176.314 176.000 0.006 0.000 1.013 1558 Q CA 0.246 56.050 55.803 0.002 0.000 0.895 1558 Q CB 0.500 29.245 28.738 0.011 0.000 1.271 1558 Q HN 0.556 nan 8.270 nan 0.000 0.460 1559 Q N 1.585 121.403 119.800 0.029 0.000 2.230 1559 Q HA 0.395 4.736 4.340 0.000 0.000 0.248 1559 Q C -0.603 175.454 176.000 0.096 0.000 0.915 1559 Q CA -0.402 55.433 55.803 0.054 0.000 0.900 1559 Q CB 1.219 29.989 28.738 0.053 0.000 1.229 1559 Q HN 0.295 nan 8.270 nan 0.000 0.439 1560 R N 0.708 121.303 120.500 0.159 0.000 2.837 1560 R HA 0.499 4.839 4.340 0.000 0.000 0.271 1560 R C -1.076 175.409 176.300 0.308 0.000 0.993 1560 R CA -0.716 55.528 56.100 0.239 0.000 0.931 1560 R CB 2.007 32.528 30.300 0.370 0.000 1.206 1560 R HN 0.575 nan 8.270 nan 0.000 0.474 1561 T N 1.389 116.099 114.554 0.261 0.000 2.756 1561 T HA 0.491 4.842 4.350 0.000 0.000 0.290 1561 T C -0.310 174.557 174.700 0.277 0.000 0.985 1561 T CA -0.433 61.824 62.100 0.261 0.000 0.955 1561 T CB 0.273 69.236 68.868 0.159 0.000 0.930 1561 T HN 0.172 nan 8.240 nan 0.000 0.451 1562 F N 2.437 122.500 119.950 0.189 0.000 2.399 1562 F HA 0.683 5.211 4.527 0.000 0.000 0.328 1562 F C 0.480 176.365 175.800 0.142 0.000 1.084 1562 F CA -1.370 56.748 58.000 0.196 0.000 1.053 1562 F CB 0.974 40.097 39.000 0.205 0.000 1.209 1562 F HN 0.395 nan 8.300 nan 0.000 0.502 1563 I N 0.560 121.281 120.570 0.251 0.000 2.934 1563 I HA 0.648 4.818 4.170 0.000 0.000 0.306 1563 I C -0.579 175.622 176.117 0.140 0.000 1.110 1563 I CA -0.836 60.556 61.300 0.154 0.000 1.019 1563 I CB 2.222 40.325 38.000 0.172 0.000 1.227 1563 I HN 0.470 nan 8.210 nan 0.000 0.434 1564 S N 2.836 118.595 115.700 0.098 0.000 2.570 1564 S HA 0.614 5.085 4.470 0.000 0.000 0.270 1564 S C -2.985 171.651 174.600 0.060 0.000 1.149 1564 S CA -1.207 57.043 58.200 0.084 0.000 0.837 1564 S CB 2.237 65.520 63.200 0.139 0.000 1.124 1564 S HN 0.278 nan 8.310 nan 0.000 0.465 1565 P HA 0.213 nan 4.420 nan 0.000 0.264 1565 P C 0.637 177.949 177.300 0.019 0.000 1.193 1565 P CA -0.041 63.069 63.100 0.017 0.000 0.763 1565 P CB 0.192 31.883 31.700 -0.015 0.000 0.810 1566 I N 2.917 123.499 120.570 0.020 0.000 3.241 1566 I HA -0.176 3.995 4.170 0.000 0.000 0.280 1566 I C 1.057 177.174 176.117 -0.000 0.000 1.320 1566 I CA 1.052 62.357 61.300 0.007 0.000 1.413 1566 I CB 0.072 38.078 38.000 0.010 0.000 1.060 1566 I HN 0.299 nan 8.210 nan 0.000 0.500 1567 K N -0.483 119.912 120.400 -0.008 0.000 2.404 1567 K HA 0.130 4.450 4.320 0.000 0.000 0.194 1567 K C 0.880 177.473 176.600 -0.012 0.000 1.023 1567 K CA 0.164 56.441 56.287 -0.018 0.000 1.094 1567 K CB 0.278 32.754 32.500 -0.040 0.000 0.841 1567 K HN 0.353 nan 8.250 nan 0.000 0.523 1568 c N 1.630 120.231 118.600 0.002 0.000 2.470 1568 c HA 0.291 4.861 4.570 0.000 0.000 0.311 1568 c C 1.665 175.776 174.090 0.036 0.000 1.387 1568 c CA -0.674 55.664 56.329 0.014 0.000 1.783 1568 c CB -0.972 41.550 42.510 0.020 0.000 2.416 1568 c HN 0.316 nan 8.230 nan 0.000 0.558 1569 R N 1.632 122.149 120.500 0.027 0.000 2.235 1569 R HA -0.091 4.249 4.340 0.000 0.000 0.213 1569 R C 1.927 178.244 176.300 0.028 0.000 1.059 1569 R CA 1.180 57.300 56.100 0.033 0.000 0.997 1569 R CB 0.042 30.355 30.300 0.022 0.000 0.884 1569 R HN 0.811 nan 8.270 nan 0.000 0.462 1570 E N 0.911 121.127 120.200 0.026 0.000 2.021 1570 E HA -0.054 4.296 4.350 0.000 0.000 0.189 1570 E C 1.856 178.485 176.600 0.048 0.000 0.980 1570 E CA 1.154 57.570 56.400 0.026 0.000 0.803 1570 E CB -0.466 29.245 29.700 0.018 0.000 0.766 1570 E HN 0.080 nan 8.360 nan 0.000 0.449 1571 A N 1.189 124.063 122.820 0.091 0.000 2.178 1571 A HA 0.025 4.346 4.320 0.000 0.000 0.218 1571 A C 1.282 178.926 177.584 0.100 0.000 1.157 1571 A CA 0.553 52.718 52.037 0.213 0.000 0.689 1571 A CB -0.473 18.811 19.000 0.474 0.000 0.787 1571 A HN 0.304 nan 8.150 nan 0.000 0.465 1572 L N -0.611 120.635 121.223 0.039 0.000 2.657 1572 L HA 0.440 4.780 4.340 0.000 0.000 0.240 1572 L C -0.388 176.452 176.870 -0.050 0.000 1.151 1572 L CA -0.271 54.545 54.840 -0.039 0.000 0.831 1572 L CB 1.037 43.090 42.059 -0.010 0.000 1.539 1572 L HN 0.505 nan 8.230 nan 0.000 0.511 1573 K N 1.335 121.688 120.400 -0.078 0.000 2.848 1573 K HA 0.225 4.546 4.320 0.000 0.000 0.308 1573 K C -2.429 174.121 176.600 -0.084 0.000 1.197 1573 K CA -0.421 55.830 56.287 -0.060 0.000 1.000 1573 K CB -0.550 31.911 32.500 -0.064 0.000 1.360 1573 K HN 0.504 nan 8.250 nan 0.000 0.413 1574 L N 2.167 123.360 121.223 -0.050 0.000 2.516 1574 L HA 0.370 4.710 4.340 0.000 0.000 0.267 1574 L C -1.033 175.839 176.870 0.002 0.000 0.957 1574 L CA -0.744 54.070 54.840 -0.043 0.000 0.860 1574 L CB 2.241 44.233 42.059 -0.113 0.000 1.265 1574 L HN 0.637 nan 8.230 nan 0.000 0.403 1575 E N 2.725 122.941 120.200 0.026 0.000 2.121 1575 E HA 0.272 4.622 4.350 0.000 0.000 0.255 1575 E C -0.645 175.975 176.600 0.034 0.000 0.906 1575 E CA -0.419 55.987 56.400 0.010 0.000 0.745 1575 E CB 0.955 30.639 29.700 -0.026 0.000 1.155 1575 E HN 0.353 nan 8.360 nan 0.000 0.424 1576 E N 2.390 122.607 120.200 0.028 0.000 2.516 1576 E HA -0.149 4.201 4.350 0.000 0.000 0.270 1576 E C 0.296 176.890 176.600 -0.011 0.000 1.130 1576 E CA 0.302 56.714 56.400 0.019 0.000 1.023 1576 E CB 0.360 30.068 29.700 0.013 0.000 1.004 1576 E HN 0.298 nan 8.360 nan 0.000 0.463 1577 K N -0.743 119.624 120.400 -0.055 0.000 3.606 1577 K HA -0.200 4.121 4.320 0.000 0.000 0.289 1577 K C -0.453 176.041 176.600 -0.177 0.000 1.221 1577 K CA 1.295 57.511 56.287 -0.119 0.000 1.028 1577 K CB -1.255 31.213 32.500 -0.053 0.000 1.299 1577 K HN 0.480 nan 8.250 nan 0.000 0.454 1578 K N 1.555 121.898 120.400 -0.096 0.000 2.339 1578 K HA 0.152 4.472 4.320 0.000 0.000 0.286 1578 K C 0.197 176.603 176.600 -0.324 0.000 1.050 1578 K CA -0.043 56.169 56.287 -0.123 0.000 0.956 1578 K CB 0.369 32.811 32.500 -0.096 0.000 0.990 1578 K HN 0.127 nan 8.250 nan 0.000 0.475 1579 H N 1.153 120.023 119.070 -0.334 0.000 2.534 1579 H HA 0.319 4.875 4.556 0.000 0.000 0.364 1579 H C -0.966 174.021 175.328 -0.569 0.000 1.328 1579 H CA 0.246 56.098 56.048 -0.326 0.000 1.415 1579 H CB 0.475 30.011 29.762 -0.377 0.000 1.573 1579 H HN 0.388 nan 8.280 nan 0.000 0.601 1580 Y N -0.619 119.763 120.300 0.138 0.000 2.521 1580 Y HA 0.231 4.781 4.550 0.000 0.000 0.332 1580 Y C -1.243 174.801 175.900 0.240 0.000 1.121 1580 Y CA -1.004 57.199 58.100 0.170 0.000 1.037 1580 Y CB 1.427 39.895 38.460 0.013 0.000 1.330 1580 Y HN 0.423 nan 8.280 nan 0.000 0.452 1581 L N 4.185 125.719 121.223 0.520 0.000 2.282 1581 L HA 0.821 5.162 4.340 0.000 0.000 0.288 1581 L C -1.206 175.890 176.870 0.377 0.000 1.033 1581 L CA -0.328 54.821 54.840 0.515 0.000 0.807 1581 L CB 0.757 43.143 42.059 0.545 0.000 1.209 1581 L HN 0.759 nan 8.230 nan 0.000 0.423 1582 M N 5.022 124.840 119.600 0.363 0.000 2.470 1582 M HA 0.531 5.011 4.480 0.000 0.000 0.285 1582 M C -2.079 174.397 176.300 0.293 0.000 1.213 1582 M CA -0.384 55.056 55.300 0.234 0.000 0.901 1582 M CB 2.563 35.227 32.600 0.107 0.000 1.718 1582 M HN 0.783 nan 8.290 nan 0.000 0.469 1583 W N 1.675 122.951 121.300 -0.041 0.000 3.479 1583 W HA 0.867 5.527 4.660 0.000 0.000 0.304 1583 W C -1.239 174.999 176.519 -0.469 0.000 1.243 1583 W CA -0.581 56.519 57.345 -0.409 0.000 1.202 1583 W CB 0.384 29.697 29.460 -0.245 0.000 1.346 1583 W HN 0.791 nan 8.180 nan 0.000 0.539 1584 G N 1.656 109.919 108.800 -0.895 0.000 2.782 1584 G HA2 0.727 4.687 3.960 0.000 0.000 0.304 1584 G HA3 0.727 4.687 3.960 0.000 0.000 0.304 1584 G C -1.651 173.189 174.900 -0.100 0.000 1.315 1584 G CA -1.249 43.636 45.100 -0.358 0.000 0.791 1584 G HN 0.894 nan 8.290 nan 0.000 0.519 1585 L N 0.024 121.382 121.223 0.224 0.000 2.334 1585 L HA 0.488 4.828 4.340 0.000 0.000 0.270 1585 L C 1.762 178.936 176.870 0.506 0.000 1.018 1585 L CA -0.447 54.582 54.840 0.315 0.000 0.811 1585 L CB 1.810 44.002 42.059 0.220 0.000 1.271 1585 L HN 0.670 nan 8.230 nan 0.000 0.443 1586 S N -1.078 114.935 115.700 0.521 0.000 2.500 1586 S HA -0.148 4.322 4.470 0.000 0.000 0.239 1586 S C 1.423 176.387 174.600 0.607 0.000 0.989 1586 S CA 0.875 59.489 58.200 0.689 0.000 0.951 1586 S CB -0.555 62.842 63.200 0.328 0.000 0.759 1586 S HN 0.815 nan 8.310 nan 0.000 0.523 1587 S N 0.273 116.197 115.700 0.373 0.000 2.631 1587 S HA 0.175 4.645 4.470 0.000 0.000 0.217 1587 S C 0.369 175.100 174.600 0.218 0.000 0.958 1587 S CA -0.113 58.245 58.200 0.263 0.000 0.920 1587 S CB -0.115 63.188 63.200 0.172 0.000 0.776 1587 S HN 0.330 nan 8.310 nan 0.000 0.517 1588 D N 0.734 121.268 120.400 0.223 0.000 2.340 1588 D HA 0.305 4.945 4.640 0.000 0.000 0.217 1588 D C -0.570 175.666 176.300 -0.107 0.000 1.081 1588 D CA -0.185 53.842 54.000 0.045 0.000 0.842 1588 D CB -0.107 40.745 40.800 0.087 0.000 0.934 1588 D HN 0.395 nan 8.370 nan 0.000 0.511 1589 F N 0.157 120.113 119.950 0.010 0.000 2.399 1589 F HA 0.240 4.768 4.527 0.000 0.000 0.342 1589 F C 0.537 176.421 175.800 0.141 0.000 1.106 1589 F CA -0.555 57.378 58.000 -0.112 0.000 1.196 1589 F CB 0.943 39.862 39.000 -0.135 0.000 1.163 1589 F HN -0.103 nan 8.300 nan 0.000 0.547 1590 W N 4.830 126.078 121.300 -0.086 0.000 2.336 1590 W HA 0.459 5.119 4.660 0.000 0.000 0.315 1590 W C 0.172 176.664 176.519 -0.045 0.000 1.016 1590 W CA -0.561 56.745 57.345 -0.064 0.000 1.318 1590 W CB 1.143 30.550 29.460 -0.088 0.000 1.247 1590 W HN 0.853 nan 8.180 nan 0.000 0.414 1591 G N 3.444 112.097 108.800 -0.244 0.000 2.796 1591 G HA2 -0.266 3.695 3.960 0.000 0.000 0.226 1591 G HA3 -0.266 3.695 3.960 0.000 0.000 0.226 1591 G C -0.171 174.649 174.900 -0.133 0.000 1.381 1591 G CA -0.746 44.164 45.100 -0.317 0.000 0.867 1591 G HN 0.528 nan 8.290 nan 0.000 0.552 1592 E N 0.435 120.556 120.200 -0.132 0.000 2.376 1592 E HA 0.389 4.739 4.350 0.000 0.000 0.254 1592 E C 0.624 177.185 176.600 -0.065 0.000 1.213 1592 E CA -0.101 56.247 56.400 -0.086 0.000 0.945 1592 E CB 0.544 30.194 29.700 -0.082 0.000 1.057 1592 E HN 0.594 nan 8.360 nan 0.000 0.479 1593 K N 0.478 120.846 120.400 -0.054 0.000 2.132 1593 K HA 0.324 4.644 4.320 0.000 0.000 0.241 1593 K C -1.928 174.655 176.600 -0.029 0.000 1.000 1593 K CA -1.535 54.729 56.287 -0.039 0.000 0.911 1593 K CB 0.281 32.755 32.500 -0.043 0.000 1.093 1593 K HN 0.201 nan 8.250 nan 0.000 0.460 1594 P HA 0.189 nan 4.420 nan 0.000 0.254 1594 P C -1.007 176.296 177.300 0.004 0.000 1.620 1594 P CA -0.082 63.017 63.100 -0.003 0.000 1.050 1594 P CB 0.072 31.775 31.700 0.005 0.000 1.539 1595 N N 0.359 119.055 118.700 -0.007 0.000 2.758 1595 N HA 0.167 4.907 4.740 0.000 0.000 0.293 1595 N C 0.142 175.648 175.510 -0.006 0.000 1.273 1595 N CA -0.042 53.007 53.050 -0.002 0.000 1.022 1595 N CB -0.275 38.205 38.487 -0.012 0.000 1.334 1595 N HN 0.205 nan 8.380 nan 0.000 0.519 1596 L N -0.217 121.004 121.223 -0.003 0.000 2.475 1596 L HA 0.356 4.696 4.340 0.000 0.000 0.250 1596 L C 0.407 177.250 176.870 -0.045 0.000 1.224 1596 L CA 0.093 54.919 54.840 -0.022 0.000 0.821 1596 L CB 0.523 42.574 42.059 -0.014 0.000 1.141 1596 L HN 0.119 nan 8.230 nan 0.000 0.494 1597 S N -1.601 114.027 115.700 -0.120 0.000 2.547 1597 S HA 0.515 4.985 4.470 0.000 0.000 0.270 1597 S C -1.588 172.759 174.600 -0.422 0.000 1.150 1597 S CA -0.741 57.384 58.200 -0.125 0.000 0.850 1597 S CB 1.333 64.621 63.200 0.147 0.000 1.118 1597 S HN 0.242 nan 8.310 nan 0.000 0.461 1598 Y N 1.008 120.991 120.300 -0.529 0.000 2.409 1598 Y HA 0.556 5.106 4.550 0.000 0.000 0.339 1598 Y C -0.044 175.525 175.900 -0.552 0.000 1.033 1598 Y CA -1.013 56.538 58.100 -0.915 0.000 1.094 1598 Y CB 0.952 38.117 38.460 -2.158 0.000 1.210 1598 Y HN 0.426 nan 8.280 nan 0.000 0.456 1599 I N 4.791 125.223 120.570 -0.230 0.000 2.312 1599 I HA 0.204 4.374 4.170 0.000 0.000 0.290 1599 I C -0.022 176.100 176.117 0.008 0.000 1.008 1599 I CA -0.729 60.471 61.300 -0.166 0.000 1.226 1599 I CB 0.890 38.730 38.000 -0.266 0.000 1.371 1599 I HN 0.582 nan 8.210 nan 0.000 0.468 1600 I N 6.204 126.829 120.570 0.091 0.000 2.505 1600 I HA 0.263 4.434 4.170 0.000 0.000 0.287 1600 I C 0.869 177.013 176.117 0.045 0.000 1.104 1600 I CA 0.695 62.077 61.300 0.138 0.000 1.387 1600 I CB 0.496 38.596 38.000 0.167 0.000 1.404 1600 I HN 0.734 nan 8.210 nan 0.000 0.528 1601 G N 5.371 114.197 108.800 0.044 0.000 2.911 1601 G HA2 0.251 4.211 3.960 0.000 0.000 0.299 1601 G HA3 0.251 4.211 3.960 0.000 0.000 0.299 1601 G C 0.259 175.163 174.900 0.007 0.000 1.283 1601 G CA -0.360 44.743 45.100 0.005 0.000 0.805 1601 G HN 0.573 nan 8.290 nan 0.000 0.548 1602 K N -0.738 119.657 120.400 -0.008 0.000 2.057 1602 K HA -0.010 4.311 4.320 0.000 0.000 0.206 1602 K C 0.808 177.419 176.600 0.019 0.000 1.050 1602 K CA 1.785 58.064 56.287 -0.014 0.000 0.935 1602 K CB -0.101 32.386 32.500 -0.021 0.000 0.715 1602 K HN 0.178 nan 8.250 nan 0.000 0.439 1603 D N 1.336 121.760 120.400 0.039 0.000 2.371 1603 D HA 0.001 4.641 4.640 0.000 0.000 0.234 1603 D C -0.125 176.203 176.300 0.046 0.000 1.049 1603 D CA 0.604 54.642 54.000 0.064 0.000 0.907 1603 D CB 0.104 40.953 40.800 0.082 0.000 0.891 1603 D HN 0.244 nan 8.370 nan 0.000 0.531 1604 T N -0.005 114.564 114.554 0.024 0.000 2.943 1604 T HA 0.273 4.623 4.350 0.000 0.000 0.284 1604 T C -0.545 174.097 174.700 -0.097 0.000 1.015 1604 T CA -0.711 61.370 62.100 -0.032 0.000 1.042 1604 T CB 1.989 70.905 68.868 0.080 0.000 1.055 1604 T HN 0.081 nan 8.240 nan 0.000 0.500 1605 W N 2.226 123.193 121.300 -0.555 0.000 2.785 1605 W HA 0.633 5.293 4.660 0.000 0.000 0.333 1605 W C -2.234 173.972 176.519 -0.521 0.000 1.062 1605 W CA -0.842 56.104 57.345 -0.666 0.000 1.233 1605 W CB 1.215 29.852 29.460 -1.373 0.000 1.413 1605 W HN 0.353 nan 8.180 nan 0.000 0.489 1606 V N 5.502 125.011 119.914 -0.675 0.000 2.525 1606 V HA 0.367 4.487 4.120 0.000 0.000 0.299 1606 V C -0.813 174.992 176.094 -0.482 0.000 1.034 1606 V CA -0.550 61.482 62.300 -0.447 0.000 0.863 1606 V CB 1.983 33.549 31.823 -0.429 0.000 0.999 1606 V HN 0.512 nan 8.190 nan 0.000 0.423 1607 E N 2.083 122.222 120.200 -0.102 0.000 2.314 1607 E HA 0.328 4.678 4.350 0.000 0.000 0.272 1607 E C -1.046 175.689 176.600 0.224 0.000 0.884 1607 E CA -0.786 55.614 56.400 -0.001 0.000 0.753 1607 E CB 2.208 31.963 29.700 0.092 0.000 1.213 1607 E HN 0.837 nan 8.360 nan 0.000 0.432 1608 H N 4.121 123.251 119.070 0.100 0.000 3.015 1608 H HA -0.001 4.555 4.556 0.000 0.000 0.268 1608 H C -0.846 174.490 175.328 0.013 0.000 1.113 1608 H CA -0.361 55.728 56.048 0.068 0.000 1.479 1608 H CB 0.469 30.246 29.762 0.026 0.000 1.493 1608 H HN 0.465 nan 8.280 nan 0.000 0.486 1609 W N 9.234 130.278 121.300 -0.428 0.000 2.419 1609 W HA 0.206 4.866 4.660 0.000 0.000 0.312 1609 W C -2.597 173.557 176.519 -0.609 0.000 1.323 1609 W CA -2.674 54.434 57.345 -0.395 0.000 1.293 1609 W CB 0.573 29.931 29.460 -0.170 0.000 1.324 1609 W HN 0.578 nan 8.180 nan 0.000 0.512 1610 P HA -0.028 nan 4.420 nan 0.000 0.280 1610 P C -0.640 176.707 177.300 0.078 0.000 1.278 1610 P CA 0.240 63.219 63.100 -0.201 0.000 0.787 1610 P CB 0.694 32.294 31.700 -0.168 0.000 1.163 1611 E N -0.785 119.443 120.200 0.046 0.000 2.239 1611 E HA 0.132 4.482 4.350 0.000 0.000 0.261 1611 E C 0.960 177.575 176.600 0.025 0.000 1.016 1611 E CA -0.400 56.025 56.400 0.041 0.000 0.882 1611 E CB 0.496 30.235 29.700 0.064 0.000 1.190 1611 E HN 0.276 nan 8.360 nan 0.000 0.415 1612 E N 0.749 120.950 120.200 0.000 0.000 2.035 1612 E HA -0.240 4.111 4.350 0.000 0.000 0.204 1612 E C 0.462 177.069 176.600 0.012 0.000 1.025 1612 E CA 2.458 58.860 56.400 0.004 0.000 0.835 1612 E CB -0.140 29.556 29.700 -0.007 0.000 0.764 1612 E HN 0.600 nan 8.360 nan 0.000 0.457 1613 D N -0.705 119.702 120.400 0.013 0.000 2.336 1613 D HA -0.000 4.640 4.640 0.000 0.000 0.228 1613 D C 0.574 176.882 176.300 0.014 0.000 1.120 1613 D CA 0.143 54.150 54.000 0.012 0.000 0.839 1613 D CB -0.029 40.778 40.800 0.011 0.000 0.932 1613 D HN 0.368 nan 8.370 nan 0.000 0.509 1614 E N -0.771 119.440 120.200 0.017 0.000 2.481 1614 E HA 0.109 4.459 4.350 0.000 0.000 0.198 1614 E C 0.423 177.025 176.600 0.002 0.000 1.027 1614 E CA -0.086 56.325 56.400 0.019 0.000 0.900 1614 E CB 0.368 30.091 29.700 0.037 0.000 0.993 1614 E HN 0.266 nan 8.360 nan 0.000 0.482 1615 c N 1.307 119.904 118.600 -0.005 0.000 2.906 1615 c HA 0.122 4.693 4.570 0.000 0.000 0.274 1615 c C 1.919 176.000 174.090 -0.014 0.000 1.257 1615 c CA -0.376 55.940 56.329 -0.021 0.000 1.695 1615 c CB -0.115 42.378 42.510 -0.028 0.000 1.958 1615 c HN 0.365 nan 8.230 nan 0.000 0.619 1616 Q N 0.992 120.789 119.800 -0.005 0.000 2.364 1616 Q HA -0.013 4.327 4.340 0.000 0.000 0.207 1616 Q C 0.636 176.633 176.000 -0.005 0.000 0.970 1616 Q CA 0.889 56.689 55.803 -0.004 0.000 0.888 1616 Q CB -0.341 28.397 28.738 0.001 0.000 0.951 1616 Q HN 0.636 nan 8.270 nan 0.000 0.469 1617 D N 1.888 122.284 120.400 -0.006 0.000 2.390 1617 D HA -0.090 4.550 4.640 0.000 0.000 0.236 1617 D C 0.825 177.120 176.300 -0.009 0.000 1.189 1617 D CA 0.230 54.227 54.000 -0.005 0.000 0.887 1617 D CB 0.722 41.520 40.800 -0.003 0.000 1.198 1617 D HN 0.262 nan 8.370 nan 0.000 0.444 1618 E N 0.467 120.663 120.200 -0.007 0.000 2.444 1618 E HA 0.077 4.427 4.350 0.000 0.000 0.191 1618 E C 0.266 176.860 176.600 -0.009 0.000 1.041 1618 E CA 0.170 56.565 56.400 -0.008 0.000 0.883 1618 E CB 0.148 29.845 29.700 -0.005 0.000 1.024 1618 E HN 0.473 nan 8.360 nan 0.000 0.470 1619 E N 0.146 120.340 120.200 -0.011 0.000 2.467 1619 E HA 0.097 4.447 4.350 0.000 0.000 0.213 1619 E C 0.964 177.553 176.600 -0.019 0.000 0.823 1619 E CA -0.070 56.324 56.400 -0.011 0.000 1.233 1619 E CB 0.361 30.058 29.700 -0.005 0.000 1.233 1619 E HN 0.079 nan 8.360 nan 0.000 0.585 1620 N N 1.233 119.919 118.700 -0.023 0.000 2.412 1620 N HA -0.023 4.717 4.740 0.000 0.000 0.184 1620 N C 1.326 176.803 175.510 -0.056 0.000 1.101 1620 N CA 0.480 53.506 53.050 -0.040 0.000 0.881 1620 N CB 0.173 38.638 38.487 -0.038 0.000 0.969 1620 N HN 0.196 nan 8.380 nan 0.000 0.459 1621 Q N 0.315 120.090 119.800 -0.042 0.000 2.170 1621 Q HA -0.088 4.253 4.340 0.000 0.000 0.203 1621 Q C 1.571 177.539 176.000 -0.052 0.000 0.976 1621 Q CA 1.052 56.828 55.803 -0.045 0.000 0.858 1621 Q CB 0.010 28.730 28.738 -0.030 0.000 0.907 1621 Q HN 0.070 nan 8.270 nan 0.000 0.433 1622 K N 1.034 121.407 120.400 -0.045 0.000 2.280 1622 K HA -0.188 4.132 4.320 0.000 0.000 0.202 1622 K C 1.710 178.272 176.600 -0.064 0.000 1.047 1622 K CA 1.355 57.616 56.287 -0.044 0.000 0.942 1622 K CB 0.076 32.558 32.500 -0.030 0.000 0.739 1622 K HN 0.238 nan 8.250 nan 0.000 0.457 1623 Q N -1.332 118.415 119.800 -0.089 0.000 2.388 1623 Q HA -0.013 4.327 4.340 0.000 0.000 0.204 1623 Q C 1.881 177.763 176.000 -0.196 0.000 0.946 1623 Q CA 0.938 56.661 55.803 -0.134 0.000 0.880 1623 Q CB -0.117 28.537 28.738 -0.141 0.000 0.997 1623 Q HN 0.367 nan 8.270 nan 0.000 0.552 1624 c N 1.433 119.919 118.600 -0.189 0.000 2.410 1624 c HA -0.112 4.458 4.570 0.000 0.000 0.281 1624 c C 2.456 176.447 174.090 -0.164 0.000 1.318 1624 c CA 0.841 57.040 56.329 -0.216 0.000 1.776 1624 c CB -0.845 41.582 42.510 -0.138 0.000 1.942 1624 c HN 0.580 nan 8.230 nan 0.000 0.508 1625 Q N 0.067 119.800 119.800 -0.112 0.000 2.163 1625 Q HA -0.101 4.240 4.340 0.000 0.000 0.198 1625 Q C 1.755 177.712 176.000 -0.071 0.000 0.954 1625 Q CA 0.823 56.583 55.803 -0.073 0.000 0.851 1625 Q CB -0.146 28.563 28.738 -0.047 0.000 0.928 1625 Q HN 0.589 nan 8.270 nan 0.000 0.459 1626 D N 0.837 121.183 120.400 -0.090 0.000 2.144 1626 D HA -0.127 4.514 4.640 0.000 0.000 0.199 1626 D C 1.895 178.144 176.300 -0.086 0.000 0.984 1626 D CA 0.956 54.910 54.000 -0.077 0.000 0.834 1626 D CB 0.101 40.846 40.800 -0.091 0.000 0.955 1626 D HN 0.199 nan 8.370 nan 0.000 0.465 1627 L N 0.212 121.316 121.223 -0.198 0.000 2.023 1627 L HA -0.036 4.305 4.340 0.000 0.000 0.205 1627 L C 2.660 179.474 176.870 -0.094 0.000 1.073 1627 L CA 1.283 55.952 54.840 -0.286 0.000 0.745 1627 L CB -1.007 40.602 42.059 -0.750 0.000 0.900 1627 L HN 0.059 nan 8.230 nan 0.000 0.435 1628 G N 0.131 108.878 108.800 -0.087 0.000 2.586 1628 G HA2 -0.372 3.588 3.960 0.000 0.000 0.218 1628 G HA3 -0.372 3.588 3.960 0.000 0.000 0.218 1628 G C 1.749 176.687 174.900 0.064 0.000 1.216 1628 G CA 1.298 46.415 45.100 0.029 0.000 0.786 1628 G HN 0.485 nan 8.290 nan 0.000 0.583 1629 A N 0.246 123.091 122.820 0.042 0.000 1.892 1629 A HA -0.079 4.241 4.320 0.000 0.000 0.218 1629 A C 2.262 179.889 177.584 0.071 0.000 1.188 1629 A CA 1.968 54.033 52.037 0.048 0.000 0.631 1629 A CB -0.689 18.330 19.000 0.032 0.000 0.822 1629 A HN 0.536 nan 8.150 nan 0.000 0.447 1630 F N 1.403 121.321 119.950 -0.053 0.000 2.202 1630 F HA -0.171 4.356 4.527 0.000 0.000 0.301 1630 F C 2.424 178.213 175.800 -0.018 0.000 1.082 1630 F CA 2.191 60.154 58.000 -0.062 0.000 1.313 1630 F CB -0.472 38.469 39.000 -0.100 0.000 1.024 1630 F HN 0.234 nan 8.300 nan 0.000 0.495 1631 T N 0.178 114.823 114.554 0.152 0.000 2.643 1631 T HA -0.210 4.140 4.350 0.000 0.000 0.264 1631 T C 1.730 176.427 174.700 -0.006 0.000 1.045 1631 T CA 1.840 64.009 62.100 0.116 0.000 1.155 1631 T CB -0.425 68.576 68.868 0.223 0.000 0.863 1631 T HN 0.372 nan 8.240 nan 0.000 0.420 1632 E N 0.942 121.151 120.200 0.014 0.000 2.085 1632 E HA -0.126 4.225 4.350 0.000 0.000 0.194 1632 E C 2.471 179.052 176.600 -0.031 0.000 0.994 1632 E CA 1.194 57.593 56.400 -0.002 0.000 0.801 1632 E CB -0.248 29.465 29.700 0.020 0.000 0.743 1632 E HN 0.300 nan 8.360 nan 0.000 0.453 1633 S N -0.243 115.419 115.700 -0.063 0.000 2.419 1633 S HA -0.112 4.358 4.470 0.000 0.000 0.233 1633 S C 1.762 176.263 174.600 -0.165 0.000 1.016 1633 S CA 0.889 59.044 58.200 -0.075 0.000 0.974 1633 S CB 0.073 63.195 63.200 -0.130 0.000 0.786 1633 S HN 0.121 nan 8.310 nan 0.000 0.492 1634 M N 0.780 120.197 119.600 -0.306 0.000 2.486 1634 M HA 0.129 4.610 4.480 0.000 0.000 0.264 1634 M C 2.093 178.302 176.300 -0.152 0.000 1.125 1634 M CA 0.604 55.708 55.300 -0.327 0.000 1.144 1634 M CB -1.013 31.257 32.600 -0.549 0.000 1.353 1634 M HN 0.387 nan 8.290 nan 0.000 0.466 1635 V N -3.011 116.842 119.914 -0.102 0.000 2.273 1635 V HA -0.030 4.091 4.120 0.000 0.000 0.242 1635 V C 2.115 178.159 176.094 -0.084 0.000 1.035 1635 V CA 1.386 63.649 62.300 -0.062 0.000 1.013 1635 V CB -1.474 30.330 31.823 -0.032 0.000 0.652 1635 V HN 0.176 nan 8.190 nan 0.000 0.452 1636 V N -0.528 119.318 119.914 -0.114 0.000 2.358 1636 V HA -0.094 4.026 4.120 0.000 0.000 0.246 1636 V C 2.169 178.048 176.094 -0.359 0.000 1.047 1636 V CA 2.533 64.681 62.300 -0.254 0.000 1.035 1636 V CB -0.203 31.415 31.823 -0.341 0.000 0.658 1636 V HN 0.519 nan 8.190 nan 0.000 0.452 1637 F N -0.447 119.460 119.950 -0.073 0.000 2.480 1637 F HA 0.576 5.104 4.527 0.000 0.000 0.280 1637 F C 1.521 177.272 175.800 -0.082 0.000 1.002 1637 F CA 1.094 59.051 58.000 -0.071 0.000 1.325 1637 F CB 0.128 39.083 39.000 -0.074 0.000 1.134 1637 F HN 0.392 nan 8.300 nan 0.000 0.646 1638 G N -0.219 108.627 108.800 0.077 0.000 2.445 1638 G HA2 -0.208 3.752 3.960 0.000 0.000 0.212 1638 G HA3 -0.208 3.752 3.960 0.000 0.000 0.212 1638 G C -1.196 173.675 174.900 -0.048 0.000 1.217 1638 G CA -0.811 44.277 45.100 -0.020 0.000 1.002 1638 G HN 0.295 nan 8.290 nan 0.000 0.574 1639 c N 2.215 120.781 118.600 -0.056 0.000 2.350 1639 c HA 0.594 5.164 4.570 0.000 0.000 0.348 1639 c C 0.173 174.231 174.090 -0.052 0.000 1.260 1639 c CA 0.018 56.302 56.329 -0.074 0.000 1.966 1639 c CB 0.994 43.455 42.510 -0.081 0.000 2.380 1639 c HN 0.675 nan 8.230 nan 0.000 0.535 1640 P HA -0.144 nan 4.420 nan 0.000 0.217 1640 P C 0.596 177.870 177.300 -0.044 0.000 1.162 1640 P CA 1.387 64.446 63.100 -0.067 0.000 0.901 1640 P CB 0.003 31.658 31.700 -0.076 0.000 0.793 1641 N N 0.000 118.678 118.700 -0.037 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 1641 N CB 0.000 38.476 38.487 -0.019 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667