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 2ice_1_F DATA FIRST_RESID 1335 DATA SEQUENCE TcNKFDLKVT IKPAPXXXXX XXXXKNTMIL EIcTRYRGDQ DATMSILDIS DATA SEQUENCE MMTGFAPDTD DLKQLANGVD RYISKYELDK AFSDRNTLII YLDKVSHSED DATA SEQUENCE DcLAFKVHQY FNVELIQPGA VKVYAYYNLE EScTRFYHPE KEDGKLNKLc DATA SEQUENCE RDELcRCAEE NCFIQKXXDK VTLEERLDKA CEPGVDYVYK TRLVKVQLSN DATA SEQUENCE DFDEYIMAIE QTIKSGSDEV QVGQQRTFIS PIKCREALKL EEKKHYLMWG DATA SEQUENCE LSSDFWGEKP NLSYIIGKDT WVEHWPEEDE cQDEENQKQc QDLGAFTESM DATA SEQUENCE VVFGCPN 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 1335 T HA 0.000 nan 4.350 nan 0.000 0.228 1335 T C 0.000 174.739 174.700 0.065 0.000 1.109 1335 T CA 0.000 62.136 62.100 0.060 0.000 1.349 1335 T CB 0.000 68.899 68.868 0.051 0.000 0.612 1336 c N 3.793 122.443 118.600 0.082 0.000 1.959 1336 c HA -0.170 4.400 4.570 0.001 0.000 0.203 1336 c C 1.690 175.832 174.090 0.088 0.000 1.061 1336 c CA 0.397 56.784 56.329 0.097 0.000 3.062 1336 c CB -2.222 40.346 42.510 0.098 0.000 1.783 1336 c HN 0.602 nan 8.230 nan 0.000 0.255 1337 N N 2.053 120.815 118.700 0.103 0.000 2.046 1337 N HA -0.066 4.675 4.740 0.001 0.000 0.190 1337 N C 1.019 176.553 175.510 0.040 0.000 1.085 1337 N CA 1.105 54.201 53.050 0.077 0.000 0.876 1337 N CB 0.006 38.552 38.487 0.098 0.000 1.052 1337 N HN 0.652 nan 8.380 nan 0.000 0.432 1338 K N 0.229 120.661 120.400 0.053 0.000 2.699 1338 K HA 0.283 4.604 4.320 0.001 0.000 0.210 1338 K C -0.962 175.426 176.600 -0.354 0.000 1.076 1338 K CA -0.084 56.106 56.287 -0.162 0.000 1.109 1338 K CB 0.218 32.592 32.500 -0.210 0.000 0.862 1338 K HN 0.122 nan 8.250 nan 0.000 0.470 1339 F N 0.121 120.068 119.950 -0.005 0.000 2.650 1339 F HA 0.250 4.777 4.527 0.000 0.000 0.320 1339 F C -0.901 174.923 175.800 0.039 0.000 1.091 1339 F CA -1.038 56.982 58.000 0.034 0.000 0.962 1339 F CB 1.932 40.974 39.000 0.070 0.000 1.363 1339 F HN -0.091 nan 8.300 nan 0.000 0.482 1340 D N 2.409 123.004 120.400 0.325 0.000 2.469 1340 D HA 0.473 5.114 4.640 0.001 0.000 0.251 1340 D C -1.386 175.011 176.300 0.162 0.000 1.173 1340 D CA -0.153 53.967 54.000 0.201 0.000 0.882 1340 D CB 1.951 42.878 40.800 0.212 0.000 1.129 1340 D HN 0.119 nan 8.370 nan 0.000 0.549 1341 L N 2.249 123.539 121.223 0.112 0.000 2.345 1341 L HA 0.453 4.793 4.340 0.001 0.000 0.274 1341 L C -0.911 175.988 176.870 0.049 0.000 0.999 1341 L CA -0.510 54.370 54.840 0.067 0.000 0.849 1341 L CB 1.114 43.201 42.059 0.047 0.000 1.220 1341 L HN 0.232 nan 8.230 nan 0.000 0.422 1342 K N 3.721 124.138 120.400 0.029 0.000 2.292 1342 K HA 0.804 5.124 4.320 0.001 0.000 0.257 1342 K C -1.424 175.168 176.600 -0.014 0.000 0.940 1342 K CA -0.698 55.599 56.287 0.016 0.000 0.811 1342 K CB 1.641 34.150 32.500 0.014 0.000 1.120 1342 K HN 0.405 nan 8.250 nan 0.000 0.428 1343 V N 0.260 120.167 119.914 -0.012 0.000 2.531 1343 V HA 0.614 4.735 4.120 0.001 0.000 0.301 1343 V C -0.814 175.241 176.094 -0.065 0.000 1.034 1343 V CA -0.613 61.653 62.300 -0.056 0.000 0.865 1343 V CB 1.585 33.406 31.823 -0.003 0.000 0.995 1343 V HN 0.697 nan 8.190 nan 0.000 0.424 1344 T N 6.195 120.664 114.554 -0.141 0.000 2.841 1344 T HA 0.636 4.986 4.350 0.001 0.000 0.285 1344 T C -0.674 173.910 174.700 -0.193 0.000 0.991 1344 T CA -0.095 61.931 62.100 -0.123 0.000 0.966 1344 T CB 1.650 70.458 68.868 -0.100 0.000 0.962 1344 T HN 0.854 nan 8.240 nan 0.000 0.438 1345 I N 3.419 123.914 120.570 -0.126 0.000 2.328 1345 I HA 0.477 4.647 4.170 0.001 0.000 0.287 1345 I C -0.479 175.576 176.117 -0.104 0.000 1.012 1345 I CA -0.182 61.039 61.300 -0.132 0.000 1.195 1345 I CB 0.185 38.174 38.000 -0.019 0.000 1.350 1345 I HN 0.375 nan 8.210 nan 0.000 0.464 1346 K N 7.892 128.216 120.400 -0.128 0.000 2.316 1346 K HA 0.606 4.926 4.320 0.001 0.000 0.251 1346 K C -2.591 173.955 176.600 -0.089 0.000 0.934 1346 K CA -1.802 54.427 56.287 -0.096 0.000 0.802 1346 K CB 1.971 34.415 32.500 -0.093 0.000 1.171 1346 K HN 0.294 nan 8.250 nan 0.000 0.426 1347 P HA 0.164 nan 4.420 nan 0.000 0.273 1347 P C -1.413 175.858 177.300 -0.048 0.000 1.250 1347 P CA -0.355 62.715 63.100 -0.049 0.000 0.793 1347 P CB 0.801 32.480 31.700 -0.034 0.000 1.011 1348 A N 0.559 123.356 122.820 -0.038 0.000 2.566 1348 A HA 0.789 5.109 4.320 0.001 0.000 0.292 1348 A C -2.357 175.213 177.584 -0.024 0.000 1.112 1348 A CA -0.783 51.233 52.037 -0.034 0.000 0.707 1348 A CB -0.464 18.512 19.000 -0.039 0.000 1.302 1348 A HN 0.533 nan 8.150 nan 0.000 0.409 1360 N N 1.013 119.750 118.700 0.062 0.000 2.171 1360 N HA -0.086 4.655 4.740 0.001 0.000 0.184 1360 N C -0.512 175.033 175.510 0.058 0.000 1.021 1360 N CA 1.928 55.020 53.050 0.071 0.000 0.854 1360 N CB 0.022 38.575 38.487 0.109 0.000 0.994 1360 N HN 0.353 nan 8.380 nan 0.000 0.426 1361 T N -1.918 112.709 114.554 0.121 0.000 2.923 1361 T HA -0.250 4.101 4.350 0.001 0.000 0.463 1361 T C -0.209 174.491 174.700 -0.000 0.000 0.780 1361 T CA 0.242 62.378 62.100 0.060 0.000 2.436 1361 T CB -2.267 66.565 68.868 -0.059 0.000 1.675 1361 T HN 0.089 nan 8.240 nan 0.000 0.598 1362 M N 2.951 122.524 119.600 -0.045 0.000 2.409 1362 M HA 0.543 5.023 4.480 0.001 0.000 0.329 1362 M C 0.961 177.156 176.300 -0.175 0.000 1.180 1362 M CA -1.167 54.060 55.300 -0.123 0.000 1.053 1362 M CB 1.158 33.651 32.600 -0.178 0.000 1.586 1362 M HN 0.457 nan 8.290 nan 0.000 0.461 1363 I N 2.726 123.195 120.570 -0.169 0.000 2.441 1363 I HA 0.156 4.326 4.170 0.001 0.000 0.287 1363 I C -0.472 175.459 176.117 -0.310 0.000 1.049 1363 I CA -0.376 60.799 61.300 -0.208 0.000 1.381 1363 I CB 0.831 38.745 38.000 -0.143 0.000 1.409 1363 I HN 0.459 nan 8.210 nan 0.000 0.523 1364 L N 7.374 128.320 121.223 -0.462 0.000 2.294 1364 L HA 0.405 4.746 4.340 0.001 0.000 0.283 1364 L C -0.296 176.288 176.870 -0.477 0.000 1.015 1364 L CA -0.048 54.443 54.840 -0.582 0.000 0.831 1364 L CB 1.051 42.584 42.059 -0.875 0.000 1.217 1364 L HN 0.578 nan 8.230 nan 0.000 0.420 1365 E N 5.145 125.135 120.200 -0.350 0.000 2.191 1365 E HA 0.654 5.005 4.350 0.001 0.000 0.263 1365 E C -1.466 175.012 176.600 -0.203 0.000 0.881 1365 E CA -0.419 55.846 56.400 -0.225 0.000 0.757 1365 E CB 1.179 30.785 29.700 -0.157 0.000 1.147 1365 E HN 0.614 nan 8.360 nan 0.000 0.414 1366 I N 2.978 123.460 120.570 -0.148 0.000 2.722 1366 I HA 0.455 4.626 4.170 0.001 0.000 0.295 1366 I C -1.052 175.030 176.117 -0.058 0.000 1.161 1366 I CA -0.787 60.448 61.300 -0.109 0.000 1.032 1366 I CB 2.134 40.060 38.000 -0.122 0.000 1.244 1366 I HN 0.512 nan 8.210 nan 0.000 0.421 1367 c N 2.653 121.230 118.600 -0.039 0.000 2.609 1367 c HA 0.886 5.457 4.570 0.001 0.000 0.313 1367 c C -0.163 173.928 174.090 0.003 0.000 1.175 1367 c CA -0.525 55.793 56.329 -0.019 0.000 1.434 1367 c CB 1.801 44.297 42.510 -0.023 0.000 2.005 1367 c HN 0.839 nan 8.230 nan 0.000 0.471 1368 T N 3.086 117.651 114.554 0.019 0.000 3.159 1368 T HA 0.610 4.961 4.350 0.001 0.000 0.343 1368 T C -1.223 173.548 174.700 0.118 0.000 1.364 1368 T CA -0.425 61.723 62.100 0.079 0.000 1.102 1368 T CB 0.899 69.812 68.868 0.074 0.000 1.263 1368 T HN 0.844 nan 8.240 nan 0.000 0.477 1369 R N 1.393 122.006 120.500 0.188 0.000 2.906 1369 R HA 0.492 4.832 4.340 0.001 0.000 0.258 1369 R C -1.257 175.286 176.300 0.404 0.000 1.156 1369 R CA -0.899 55.351 56.100 0.250 0.000 0.996 1369 R CB 1.077 31.400 30.300 0.038 0.000 1.259 1369 R HN 0.607 nan 8.270 nan 0.000 0.462 1370 Y N 0.925 121.330 120.300 0.174 0.000 2.260 1370 Y HA 0.257 4.807 4.550 0.000 0.000 0.339 1370 Y C -0.152 175.663 175.900 -0.143 0.000 1.317 1370 Y CA -0.025 57.975 58.100 -0.168 0.000 1.514 1370 Y CB 0.763 39.170 38.460 -0.087 0.000 1.382 1370 Y HN 0.261 nan 8.280 nan 0.000 0.581 1371 R N 1.370 121.136 120.500 -1.225 0.000 2.513 1371 R HA 0.395 4.735 4.340 0.001 0.000 0.283 1371 R C -0.157 175.594 176.300 -0.916 0.000 1.535 1371 R CA 0.394 55.969 56.100 -0.874 0.000 1.315 1371 R CB 0.531 30.455 30.300 -0.626 0.000 1.163 1371 R HN 0.967 nan 8.270 nan 0.000 0.573 1372 G N 0.531 109.026 108.800 -0.508 0.000 4.452 1372 G HA2 -0.063 3.897 3.960 0.001 0.000 0.157 1372 G HA3 -0.063 3.897 3.960 0.001 0.000 0.157 1372 G C -0.224 174.668 174.900 -0.012 0.000 0.823 1372 G CA -0.413 44.573 45.100 -0.191 0.000 0.808 1372 G HN 0.470 nan 8.290 nan 0.000 0.443 1373 D N 0.810 121.228 120.400 0.031 0.000 2.739 1373 D HA -0.093 4.547 4.640 0.001 0.000 0.240 1373 D C 0.447 176.817 176.300 0.116 0.000 1.114 1373 D CA 1.528 55.575 54.000 0.078 0.000 0.695 1373 D CB -0.687 40.123 40.800 0.017 0.000 1.078 1373 D HN 0.743 nan 8.370 nan 0.000 0.434 1374 Q N -1.247 118.664 119.800 0.185 0.000 2.456 1374 Q HA 0.511 4.851 4.340 0.001 0.000 0.284 1374 Q C -0.966 175.103 176.000 0.115 0.000 1.061 1374 Q CA -0.876 55.005 55.803 0.130 0.000 0.799 1374 Q CB 1.016 29.821 28.738 0.113 0.000 1.445 1374 Q HN -0.164 nan 8.270 nan 0.000 0.411 1375 D N 1.617 122.056 120.400 0.065 0.000 2.541 1375 D HA 0.342 4.982 4.640 0.001 0.000 0.231 1375 D C 0.016 176.311 176.300 -0.007 0.000 1.163 1375 D CA 0.355 54.380 54.000 0.042 0.000 1.077 1375 D CB -0.080 40.743 40.800 0.038 0.000 1.110 1375 D HN 0.602 nan 8.370 nan 0.000 0.499 1376 A N 1.819 124.584 122.820 -0.090 0.000 2.409 1376 A HA 0.437 4.757 4.320 0.001 0.000 0.246 1376 A C 1.048 178.604 177.584 -0.046 0.000 1.099 1376 A CA -0.329 51.571 52.037 -0.229 0.000 0.789 1376 A CB 0.192 18.708 19.000 -0.807 0.000 1.053 1376 A HN 0.444 nan 8.150 nan 0.000 0.503 1377 T N -1.555 113.024 114.554 0.042 0.000 2.923 1377 T HA 0.523 4.873 4.350 0.001 0.000 0.281 1377 T C 0.347 175.147 174.700 0.167 0.000 0.995 1377 T CA -0.720 61.467 62.100 0.145 0.000 0.985 1377 T CB 0.290 69.327 68.868 0.282 0.000 1.114 1377 T HN 0.613 nan 8.240 nan 0.000 0.548 1378 M N 2.265 121.929 119.600 0.107 0.000 2.243 1378 M HA 0.032 4.512 4.480 0.001 0.000 0.446 1378 M C 0.228 176.620 176.300 0.154 0.000 1.421 1378 M CA 0.861 56.185 55.300 0.040 0.000 0.772 1378 M CB -0.660 31.824 32.600 -0.193 0.000 2.004 1378 M HN 0.881 nan 8.290 nan 0.000 0.525 1379 S N 3.422 119.190 115.700 0.112 0.000 2.697 1379 S HA 0.890 5.361 4.470 0.001 0.000 0.289 1379 S C -1.315 173.300 174.600 0.024 0.000 1.149 1379 S CA -0.895 57.358 58.200 0.088 0.000 0.850 1379 S CB 1.054 64.297 63.200 0.072 0.000 1.151 1379 S HN 0.527 nan 8.310 nan 0.000 0.491 1380 I N 1.826 122.306 120.570 -0.149 0.000 2.533 1380 I HA 0.490 4.660 4.170 0.001 0.000 0.290 1380 I C -1.153 174.669 176.117 -0.491 0.000 1.056 1380 I CA -0.170 60.975 61.300 -0.259 0.000 1.057 1380 I CB 1.929 39.822 38.000 -0.177 0.000 1.240 1380 I HN 0.520 nan 8.210 nan 0.000 0.423 1381 L N 5.690 126.721 121.223 -0.320 0.000 2.277 1381 L HA 0.374 4.714 4.340 0.001 0.000 0.284 1381 L C -0.325 176.399 176.870 -0.244 0.000 1.028 1381 L CA -0.256 54.408 54.840 -0.293 0.000 0.835 1381 L CB 0.785 42.735 42.059 -0.183 0.000 1.215 1381 L HN 0.520 nan 8.230 nan 0.000 0.425 1382 D N 5.353 125.610 120.400 -0.239 0.000 2.468 1382 D HA 0.239 4.879 4.640 0.001 0.000 0.218 1382 D C -0.427 175.834 176.300 -0.066 0.000 1.155 1382 D CA -0.404 53.526 54.000 -0.117 0.000 0.924 1382 D CB 0.706 41.482 40.800 -0.040 0.000 1.029 1382 D HN 0.230 nan 8.370 nan 0.000 0.515 1383 I N 1.900 122.449 120.570 -0.036 0.000 2.396 1383 I HA 0.089 4.259 4.170 0.001 0.000 0.292 1383 I C 0.472 176.632 176.117 0.071 0.000 0.999 1383 I CA -0.076 61.244 61.300 0.033 0.000 1.310 1383 I CB 1.772 39.812 38.000 0.068 0.000 1.404 1383 I HN 0.114 nan 8.210 nan 0.000 0.496 1384 S N 7.507 123.271 115.700 0.107 0.000 2.659 1384 S HA 0.553 5.023 4.470 0.001 0.000 0.312 1384 S C -0.119 174.557 174.600 0.128 0.000 1.114 1384 S CA -0.927 57.328 58.200 0.092 0.000 1.063 1384 S CB 0.468 63.687 63.200 0.032 0.000 0.996 1384 S HN 0.431 nan 8.310 nan 0.000 0.478 1385 M N 3.687 123.382 119.600 0.159 0.000 2.131 1385 M HA 0.198 4.678 4.480 0.001 0.000 0.283 1385 M C 0.300 176.632 176.300 0.054 0.000 1.225 1385 M CA 0.579 55.992 55.300 0.189 0.000 1.153 1385 M CB -0.052 32.692 32.600 0.241 0.000 1.380 1385 M HN 0.597 nan 8.290 nan 0.000 0.458 1386 M N 0.190 119.829 119.600 0.065 0.000 2.342 1386 M HA 0.239 4.719 4.480 0.001 0.000 0.332 1386 M C 0.467 176.867 176.300 0.167 0.000 1.166 1386 M CA -0.727 54.593 55.300 0.033 0.000 1.086 1386 M CB 0.589 33.208 32.600 0.032 0.000 1.541 1386 M HN 0.728 nan 8.290 nan 0.000 0.462 1387 T N -0.281 114.333 114.554 0.100 0.000 2.718 1387 T HA 0.193 4.543 4.350 0.001 0.000 0.265 1387 T C 0.987 175.736 174.700 0.081 0.000 1.014 1387 T CA 0.246 62.394 62.100 0.080 0.000 1.172 1387 T CB -0.773 68.115 68.868 0.033 0.000 1.007 1387 T HN 1.203 nan 8.240 nan 0.000 0.500 1388 G N 2.221 111.004 108.800 -0.029 0.000 2.351 1388 G HA2 -0.132 3.828 3.960 0.001 0.000 0.297 1388 G HA3 -0.132 3.828 3.960 0.001 0.000 0.297 1388 G C -0.389 174.140 174.900 -0.618 0.000 1.054 1388 G CA -0.386 44.438 45.100 -0.461 0.000 1.123 1388 G HN 0.838 nan 8.290 nan 0.000 0.512 1389 F N -0.428 119.468 119.950 -0.090 0.000 2.581 1389 F HA 0.696 5.223 4.527 0.000 0.000 0.311 1389 F C 0.115 176.113 175.800 0.329 0.000 1.113 1389 F CA -0.168 57.886 58.000 0.091 0.000 0.935 1389 F CB 2.530 41.585 39.000 0.091 0.000 1.232 1389 F HN 0.636 nan 8.300 nan 0.000 0.445 1390 A N 4.828 128.002 122.820 0.589 0.000 2.411 1390 A HA 0.767 5.088 4.320 0.001 0.000 0.285 1390 A C -2.927 174.950 177.584 0.488 0.000 1.129 1390 A CA -1.795 50.546 52.037 0.508 0.000 0.736 1390 A CB 0.786 20.080 19.000 0.491 0.000 1.186 1390 A HN 0.354 nan 8.150 nan 0.000 0.445 1391 P HA -0.014 nan 4.420 nan 0.000 0.267 1391 P C -0.352 177.186 177.300 0.396 0.000 1.201 1391 P CA -0.008 63.348 63.100 0.427 0.000 0.775 1391 P CB 0.533 32.460 31.700 0.379 0.000 0.854 1392 D N 1.053 121.684 120.400 0.386 0.000 2.401 1392 D HA -0.018 4.623 4.640 0.001 0.000 0.254 1392 D C 0.646 177.082 176.300 0.227 0.000 1.192 1392 D CA 0.456 54.666 54.000 0.352 0.000 0.885 1392 D CB 0.570 41.552 40.800 0.303 0.000 1.147 1392 D HN 0.339 nan 8.370 nan 0.000 0.478 1393 T N 0.493 115.200 114.554 0.257 0.000 3.194 1393 T HA 0.027 4.378 4.350 0.001 0.000 0.251 1393 T C 0.681 175.429 174.700 0.081 0.000 1.132 1393 T CA -0.027 62.160 62.100 0.145 0.000 1.028 1393 T CB 0.379 69.352 68.868 0.176 0.000 0.976 1393 T HN 0.205 nan 8.240 nan 0.000 0.535 1394 D N 0.889 121.345 120.400 0.092 0.000 2.463 1394 D HA 0.100 4.741 4.640 0.001 0.000 0.237 1394 D C 1.555 177.880 176.300 0.043 0.000 1.013 1394 D CA 0.166 54.200 54.000 0.058 0.000 0.910 1394 D CB 0.112 40.953 40.800 0.067 0.000 1.080 1394 D HN 0.127 nan 8.370 nan 0.000 0.498 1395 D N 0.298 120.738 120.400 0.068 0.000 2.117 1395 D HA -0.058 4.582 4.640 0.001 0.000 0.197 1395 D C 2.176 178.460 176.300 -0.026 0.000 0.987 1395 D CA 0.586 54.625 54.000 0.065 0.000 0.829 1395 D CB -0.035 40.859 40.800 0.158 0.000 0.961 1395 D HN 0.215 nan 8.370 nan 0.000 0.460 1396 L N 0.289 121.449 121.223 -0.104 0.000 2.109 1396 L HA -0.069 4.271 4.340 0.001 0.000 0.207 1396 L C 2.251 179.037 176.870 -0.140 0.000 1.086 1396 L CA 0.887 55.589 54.840 -0.230 0.000 0.760 1396 L CB -0.174 41.715 42.059 -0.283 0.000 0.910 1396 L HN -0.073 nan 8.230 nan 0.000 0.437 1397 K N -0.370 119.984 120.400 -0.077 0.000 2.362 1397 K HA -0.219 4.101 4.320 0.001 0.000 0.200 1397 K C 2.054 178.631 176.600 -0.038 0.000 1.046 1397 K CA 0.781 57.035 56.287 -0.055 0.000 0.952 1397 K CB 0.093 32.577 32.500 -0.028 0.000 0.753 1397 K HN 0.123 nan 8.250 nan 0.000 0.466 1398 Q N 0.836 120.617 119.800 -0.031 0.000 2.096 1398 Q HA -0.030 4.310 4.340 0.001 0.000 0.197 1398 Q C 1.638 177.623 176.000 -0.025 0.000 0.964 1398 Q CA 1.217 57.011 55.803 -0.015 0.000 0.838 1398 Q CB 0.017 28.756 28.738 0.002 0.000 0.906 1398 Q HN 0.221 nan 8.270 nan 0.000 0.444 1399 L N -0.061 121.129 121.223 -0.054 0.000 2.275 1399 L HA -0.066 4.274 4.340 0.001 0.000 0.215 1399 L C 2.118 178.953 176.870 -0.059 0.000 1.119 1399 L CA 0.948 55.749 54.840 -0.064 0.000 0.790 1399 L CB -0.593 41.392 42.059 -0.123 0.000 0.919 1399 L HN 0.267 nan 8.230 nan 0.000 0.443 1400 A N 0.391 123.169 122.820 -0.071 0.000 1.819 1400 A HA -0.206 4.115 4.320 0.001 0.000 0.215 1400 A C 2.042 179.621 177.584 -0.008 0.000 1.226 1400 A CA 1.931 53.930 52.037 -0.062 0.000 0.608 1400 A CB -0.781 18.171 19.000 -0.080 0.000 0.877 1400 A HN 0.364 nan 8.150 nan 0.000 0.452 1401 N N 0.228 118.926 118.700 -0.004 0.000 2.364 1401 N HA 0.020 4.760 4.740 0.001 0.000 0.183 1401 N C 0.914 176.437 175.510 0.020 0.000 1.022 1401 N CA 0.831 53.890 53.050 0.015 0.000 0.883 1401 N CB -0.366 38.127 38.487 0.010 0.000 0.965 1401 N HN 0.487 nan 8.380 nan 0.000 0.438 1402 G N 0.366 109.174 108.800 0.014 0.000 2.343 1402 G HA2 0.211 4.171 3.960 0.001 0.000 0.254 1402 G HA3 0.211 4.171 3.960 0.001 0.000 0.254 1402 G C 0.216 175.134 174.900 0.030 0.000 1.277 1402 G CA -0.327 44.784 45.100 0.018 0.000 0.909 1402 G HN 0.117 nan 8.290 nan 0.000 0.502 1403 V N 2.646 122.578 119.914 0.031 0.000 3.432 1403 V HA 0.172 4.293 4.120 0.001 0.000 0.304 1403 V C 1.217 177.334 176.094 0.038 0.000 1.107 1403 V CA 1.411 63.733 62.300 0.037 0.000 1.153 1403 V CB 0.591 32.430 31.823 0.027 0.000 1.072 1403 V HN 1.099 nan 8.190 nan 0.000 0.485 1404 D N 0.309 120.734 120.400 0.043 0.000 2.792 1404 D HA -0.149 4.491 4.640 0.001 0.000 0.192 1404 D C 0.050 176.387 176.300 0.060 0.000 1.007 1404 D CA 1.680 55.706 54.000 0.044 0.000 1.020 1404 D CB -0.502 40.319 40.800 0.034 0.000 1.089 1404 D HN 0.741 nan 8.370 nan 0.000 0.438 1405 R N -0.578 119.969 120.500 0.078 0.000 2.837 1405 R HA 0.689 5.029 4.340 0.001 0.000 0.271 1405 R C -1.392 175.022 176.300 0.189 0.000 0.993 1405 R CA -0.862 55.297 56.100 0.097 0.000 0.931 1405 R CB 1.933 32.258 30.300 0.042 0.000 1.206 1405 R HN 0.052 nan 8.270 nan 0.000 0.474 1406 Y N 1.897 122.231 120.300 0.056 0.000 2.315 1406 Y HA 0.467 5.017 4.550 0.000 0.000 0.324 1406 Y C -1.425 174.541 175.900 0.111 0.000 1.062 1406 Y CA -0.668 57.497 58.100 0.109 0.000 1.159 1406 Y CB 1.116 39.677 38.460 0.169 0.000 1.145 1406 Y HN 0.493 nan 8.280 nan 0.000 0.442 1407 I N 5.907 126.251 120.570 -0.377 0.000 2.382 1407 I HA 0.280 4.451 4.170 0.001 0.000 0.286 1407 I C 0.027 175.796 176.117 -0.579 0.000 1.002 1407 I CA -0.847 60.206 61.300 -0.410 0.000 1.135 1407 I CB 1.620 39.441 38.000 -0.298 0.000 1.288 1407 I HN 0.701 nan 8.210 nan 0.000 0.448 1408 S N 5.423 120.853 115.700 -0.449 0.000 2.558 1408 S HA -0.033 4.437 4.470 0.001 0.000 0.287 1408 S C 1.230 175.729 174.600 -0.169 0.000 1.321 1408 S CA -0.253 57.729 58.200 -0.363 0.000 1.048 1408 S CB 0.914 64.191 63.200 0.128 0.000 0.844 1408 S HN 0.835 nan 8.310 nan 0.000 0.512 1409 K N 1.460 121.822 120.400 -0.063 0.000 2.218 1409 K HA -0.225 4.095 4.320 0.001 0.000 0.205 1409 K C 1.412 178.042 176.600 0.051 0.000 1.046 1409 K CA 1.428 57.722 56.287 0.011 0.000 0.933 1409 K CB -0.373 32.174 32.500 0.078 0.000 0.728 1409 K HN 0.851 nan 8.250 nan 0.000 0.454 1410 Y N 1.493 121.773 120.300 -0.033 0.000 2.639 1410 Y HA -0.104 4.446 4.550 0.000 0.000 0.297 1410 Y C 0.836 176.701 175.900 -0.059 0.000 1.151 1410 Y CA 1.345 59.428 58.100 -0.028 0.000 1.335 1410 Y CB 0.265 38.728 38.460 0.004 0.000 0.994 1410 Y HN 0.226 nan 8.280 nan 0.000 0.548 1411 E N -1.828 118.329 120.200 -0.073 0.000 2.514 1411 E HA 0.069 4.419 4.350 0.001 0.000 0.215 1411 E C 1.524 178.017 176.600 -0.178 0.000 0.946 1411 E CA 0.029 56.339 56.400 -0.151 0.000 1.038 1411 E CB 0.086 29.726 29.700 -0.100 0.000 1.069 1411 E HN 0.252 nan 8.360 nan 0.000 0.503 1412 L N 1.454 122.591 121.223 -0.143 0.000 2.131 1412 L HA -0.145 4.195 4.340 0.001 0.000 0.210 1412 L C 0.835 177.611 176.870 -0.157 0.000 1.092 1412 L CA 1.729 56.491 54.840 -0.130 0.000 0.759 1412 L CB -0.194 41.812 42.059 -0.088 0.000 0.903 1412 L HN 0.186 nan 8.230 nan 0.000 0.435 1413 D N -2.347 117.944 120.400 -0.181 0.000 2.755 1413 D HA 0.110 4.751 4.640 0.001 0.000 0.257 1413 D C 0.196 176.334 176.300 -0.271 0.000 1.291 1413 D CA -0.198 53.683 54.000 -0.199 0.000 0.836 1413 D CB -0.079 40.632 40.800 -0.149 0.000 1.059 1413 D HN -0.016 nan 8.370 nan 0.000 0.486 1414 K N 0.675 120.881 120.400 -0.324 0.000 2.156 1414 K HA 0.631 4.951 4.320 0.001 0.000 0.271 1414 K C -0.113 176.207 176.600 -0.467 0.000 0.995 1414 K CA -0.912 55.162 56.287 -0.355 0.000 0.890 1414 K CB 1.728 34.041 32.500 -0.312 0.000 1.073 1414 K HN 0.253 nan 8.250 nan 0.000 0.454 1415 A N 2.626 125.221 122.820 -0.375 0.000 2.407 1415 A HA 0.162 4.483 4.320 0.001 0.000 0.248 1415 A C 0.242 177.581 177.584 -0.409 0.000 1.082 1415 A CA -0.051 51.756 52.037 -0.384 0.000 0.785 1415 A CB -0.136 18.748 19.000 -0.192 0.000 1.020 1415 A HN 0.734 nan 8.150 nan 0.000 0.489 1416 F N 1.546 121.434 119.950 -0.104 0.000 2.802 1416 F HA -0.071 4.456 4.527 0.000 0.000 0.300 1416 F C 2.467 178.119 175.800 -0.248 0.000 1.168 1416 F CA 0.899 58.836 58.000 -0.106 0.000 1.433 1416 F CB -0.542 38.423 39.000 -0.059 0.000 1.115 1416 F HN 0.647 nan 8.300 nan 0.000 0.582 1417 S N -0.641 114.984 115.700 -0.124 0.000 2.343 1417 S HA -0.146 4.324 4.470 0.001 0.000 0.219 1417 S C 0.561 174.905 174.600 -0.427 0.000 1.033 1417 S CA 1.253 59.303 58.200 -0.250 0.000 1.014 1417 S CB -0.199 62.916 63.200 -0.143 0.000 0.915 1417 S HN 0.290 nan 8.310 nan 0.000 0.435 1418 D N 0.962 121.206 120.400 -0.259 0.000 2.330 1418 D HA 0.385 5.025 4.640 0.001 0.000 0.249 1418 D C -1.108 175.147 176.300 -0.075 0.000 1.306 1418 D CA -0.113 53.775 54.000 -0.186 0.000 0.956 1418 D CB 1.108 41.837 40.800 -0.117 0.000 1.261 1418 D HN 0.283 nan 8.370 nan 0.000 0.544 1419 R N 2.142 122.638 120.500 -0.007 0.000 2.734 1419 R HA 0.155 4.495 4.340 0.001 0.000 0.268 1419 R C 0.513 176.906 176.300 0.155 0.000 1.785 1419 R CA -0.355 55.779 56.100 0.058 0.000 1.461 1419 R CB 0.590 30.910 30.300 0.032 0.000 1.308 1419 R HN 0.219 nan 8.270 nan 0.000 0.586 1420 N N 0.098 118.884 118.700 0.143 0.000 2.235 1420 N HA -0.007 4.733 4.740 0.001 0.000 0.209 1420 N C -0.507 175.082 175.510 0.131 0.000 1.122 1420 N CA -0.157 52.997 53.050 0.173 0.000 0.845 1420 N CB 0.966 39.552 38.487 0.165 0.000 1.004 1420 N HN 0.309 nan 8.380 nan 0.000 0.499 1421 T N -2.023 112.595 114.554 0.106 0.000 2.932 1421 T HA 0.667 5.017 4.350 0.001 0.000 0.318 1421 T C -1.038 173.701 174.700 0.064 0.000 1.265 1421 T CA -0.784 61.368 62.100 0.086 0.000 1.036 1421 T CB 2.145 71.052 68.868 0.066 0.000 1.209 1421 T HN 0.002 nan 8.240 nan 0.000 0.484 1422 L N 0.815 122.065 121.223 0.045 0.000 2.568 1422 L HA 0.820 5.161 4.340 0.001 0.000 0.257 1422 L C -1.933 174.898 176.870 -0.066 0.000 1.024 1422 L CA -0.821 54.012 54.840 -0.011 0.000 0.854 1422 L CB 2.313 44.356 42.059 -0.027 0.000 1.460 1422 L HN 0.887 nan 8.230 nan 0.000 0.409 1423 I N 2.332 122.799 120.570 -0.172 0.000 2.499 1423 I HA 0.472 4.642 4.170 0.001 0.000 0.288 1423 I C -0.894 174.885 176.117 -0.564 0.000 1.048 1423 I CA -0.119 61.011 61.300 -0.282 0.000 1.062 1423 I CB 1.892 39.770 38.000 -0.202 0.000 1.238 1423 I HN 0.291 nan 8.210 nan 0.000 0.426 1424 I N 6.321 126.636 120.570 -0.425 0.000 2.315 1424 I HA 0.243 4.413 4.170 0.001 0.000 0.291 1424 I C -0.893 175.029 176.117 -0.325 0.000 1.006 1424 I CA -0.469 60.593 61.300 -0.398 0.000 1.265 1424 I CB 0.492 38.375 38.000 -0.195 0.000 1.387 1424 I HN 0.431 nan 8.210 nan 0.000 0.475 1425 Y N 6.885 127.204 120.300 0.031 0.000 2.535 1425 Y HA 0.421 4.971 4.550 0.000 0.000 0.349 1425 Y C -0.000 175.938 175.900 0.063 0.000 0.992 1425 Y CA -0.845 57.297 58.100 0.070 0.000 1.248 1425 Y CB 0.245 38.819 38.460 0.189 0.000 1.124 1425 Y HN 0.338 nan 8.280 nan 0.000 0.520 1426 L N 3.286 124.591 121.223 0.136 0.000 2.334 1426 L HA 0.239 4.579 4.340 0.001 0.000 0.277 1426 L C 0.800 177.721 176.870 0.085 0.000 1.075 1426 L CA -0.413 54.480 54.840 0.088 0.000 0.804 1426 L CB 0.968 43.056 42.059 0.047 0.000 1.174 1426 L HN 0.642 nan 8.230 nan 0.000 0.438 1427 D N 1.437 121.878 120.400 0.068 0.000 2.120 1427 D HA -0.039 4.601 4.640 0.001 0.000 0.202 1427 D C 0.518 176.842 176.300 0.041 0.000 0.972 1427 D CA 1.281 55.305 54.000 0.039 0.000 0.837 1427 D CB 0.475 41.292 40.800 0.029 0.000 0.989 1427 D HN 0.584 nan 8.370 nan 0.000 0.469 1428 K N -0.455 119.975 120.400 0.050 0.000 2.295 1428 K HA 0.572 4.892 4.320 0.001 0.000 0.239 1428 K C -0.978 175.670 176.600 0.080 0.000 0.991 1428 K CA -0.837 55.483 56.287 0.055 0.000 0.845 1428 K CB 3.138 35.666 32.500 0.046 0.000 1.197 1428 K HN -0.195 nan 8.250 nan 0.000 0.441 1429 V N 1.281 121.252 119.914 0.095 0.000 2.934 1429 V HA 0.186 4.306 4.120 0.001 0.000 0.254 1429 V C -1.216 174.987 176.094 0.182 0.000 0.984 1429 V CA -0.129 62.267 62.300 0.161 0.000 0.938 1429 V CB 0.965 32.940 31.823 0.254 0.000 1.046 1429 V HN 1.024 nan 8.190 nan 0.000 0.505 1430 S N 3.787 119.593 115.700 0.177 0.000 4.355 1430 S HA 0.575 5.046 4.470 0.001 0.000 0.201 1430 S C 0.390 175.160 174.600 0.283 0.000 1.044 1430 S CA 0.824 59.154 58.200 0.216 0.000 1.777 1430 S CB 0.977 64.261 63.200 0.140 0.000 0.797 1430 S HN 0.987 nan 8.310 nan 0.000 0.774 1431 H N -0.793 118.333 119.070 0.093 0.000 3.606 1431 H HA 0.424 4.980 4.556 0.000 0.000 0.271 1431 H C 0.654 176.009 175.328 0.045 0.000 1.145 1431 H CA 0.276 56.362 56.048 0.063 0.000 1.059 1431 H CB -0.022 29.764 29.762 0.039 0.000 2.988 1431 H HN 0.270 nan 8.280 nan 0.000 0.767 1432 S N -0.468 115.282 115.700 0.082 0.000 2.406 1432 S HA 0.057 4.528 4.470 0.001 0.000 0.224 1432 S C 0.798 175.405 174.600 0.011 0.000 1.030 1432 S CA 0.932 59.164 58.200 0.053 0.000 0.958 1432 S CB 0.604 63.835 63.200 0.051 0.000 0.811 1432 S HN 0.420 nan 8.310 nan 0.000 0.489 1433 E N 0.035 120.226 120.200 -0.015 0.000 3.995 1433 E HA 0.445 4.796 4.350 0.001 0.000 0.227 1433 E C -1.119 175.432 176.600 -0.082 0.000 0.888 1433 E CA -0.572 55.808 56.400 -0.033 0.000 1.376 1433 E CB 0.722 30.415 29.700 -0.011 0.000 1.869 1433 E HN -0.105 nan 8.360 nan 0.000 0.399 1434 D N 0.068 120.435 120.400 -0.056 0.000 2.931 1434 D HA 0.138 4.779 4.640 0.001 0.000 0.215 1434 D C -1.626 174.660 176.300 -0.023 0.000 1.297 1434 D CA -0.381 53.581 54.000 -0.065 0.000 0.892 1434 D CB 1.233 41.986 40.800 -0.078 0.000 1.642 1434 D HN 0.190 nan 8.370 nan 0.000 0.560 1435 D N 2.423 122.820 120.400 -0.005 0.000 2.498 1435 D HA 0.124 4.764 4.640 0.001 0.000 0.229 1435 D C 0.193 176.496 176.300 0.004 0.000 1.188 1435 D CA 0.209 54.215 54.000 0.011 0.000 1.028 1435 D CB -0.045 40.773 40.800 0.030 0.000 1.087 1435 D HN 0.190 nan 8.370 nan 0.000 0.510 1436 c N 1.786 120.386 118.600 0.000 0.000 2.349 1436 c HA 0.790 5.361 4.570 0.001 0.000 0.361 1436 c C 0.034 174.132 174.090 0.013 0.000 1.189 1436 c CA -0.735 55.592 56.329 -0.003 0.000 2.155 1436 c CB 0.524 43.027 42.510 -0.012 0.000 2.336 1436 c HN 0.516 nan 8.230 nan 0.000 0.540 1437 L N 0.222 121.455 121.223 0.017 0.000 2.505 1437 L HA 0.939 5.279 4.340 0.001 0.000 0.259 1437 L C -0.711 176.187 176.870 0.047 0.000 0.952 1437 L CA -0.588 54.295 54.840 0.071 0.000 0.840 1437 L CB 1.365 43.502 42.059 0.130 0.000 1.358 1437 L HN 0.778 nan 8.230 nan 0.000 0.409 1438 A N 2.316 125.202 122.820 0.110 0.000 2.456 1438 A HA 0.911 5.232 4.320 0.001 0.000 0.288 1438 A C -1.281 176.397 177.584 0.156 0.000 1.042 1438 A CA -0.413 51.628 52.037 0.006 0.000 0.738 1438 A CB 0.960 19.942 19.000 -0.029 0.000 1.266 1438 A HN 1.231 nan 8.150 nan 0.000 0.407 1439 F N -0.270 119.652 119.950 -0.047 0.000 2.686 1439 F HA 0.831 5.358 4.527 0.000 0.000 0.311 1439 F C -0.625 175.163 175.800 -0.021 0.000 1.128 1439 F CA -1.176 56.811 58.000 -0.022 0.000 0.946 1439 F CB 1.129 40.125 39.000 -0.007 0.000 1.336 1439 F HN 0.370 nan 8.300 nan 0.000 0.457 1440 K N 1.035 121.543 120.400 0.180 0.000 2.095 1440 K HA 0.781 5.102 4.320 0.001 0.000 0.252 1440 K C -1.195 175.516 176.600 0.185 0.000 0.977 1440 K CA -0.990 55.346 56.287 0.082 0.000 0.900 1440 K CB 2.098 34.629 32.500 0.051 0.000 1.060 1440 K HN 0.658 nan 8.250 nan 0.000 0.449 1441 V N -0.911 119.083 119.914 0.134 0.000 2.483 1441 V HA 0.294 4.414 4.120 0.001 0.000 0.297 1441 V C -0.544 175.730 176.094 0.299 0.000 1.027 1441 V CA -0.865 61.610 62.300 0.291 0.000 0.855 1441 V CB 1.360 33.360 31.823 0.295 0.000 0.995 1441 V HN 0.715 nan 8.190 nan 0.000 0.424 1442 H N 4.189 123.418 119.070 0.264 0.000 3.109 1442 H HA 0.217 4.773 4.556 0.000 0.000 0.266 1442 H C 0.277 175.685 175.328 0.132 0.000 1.334 1442 H CA 0.364 56.497 56.048 0.142 0.000 1.456 1442 H CB 0.829 30.593 29.762 0.004 0.000 1.587 1442 H HN 0.854 nan 8.280 nan 0.000 0.500 1443 Q N 2.894 122.720 119.800 0.043 0.000 2.311 1443 Q HA -0.033 4.307 4.340 0.001 0.000 0.272 1443 Q C 0.166 176.093 176.000 -0.122 0.000 1.012 1443 Q CA -0.077 55.504 55.803 -0.370 0.000 0.891 1443 Q CB 0.507 28.809 28.738 -0.725 0.000 1.201 1443 Q HN 0.725 nan 8.270 nan 0.000 0.391 1444 Y N 2.451 122.686 120.300 -0.108 0.000 2.462 1444 Y HA 0.416 4.966 4.550 0.000 0.000 0.253 1444 Y C -0.556 175.399 175.900 0.091 0.000 1.095 1444 Y CA -0.741 57.373 58.100 0.023 0.000 1.283 1444 Y CB 0.604 39.122 38.460 0.097 0.000 1.138 1444 Y HN 0.403 nan 8.280 nan 0.000 0.522 1445 F N 2.197 121.859 119.950 -0.480 0.000 2.573 1445 F HA 0.421 4.948 4.527 0.000 0.000 0.316 1445 F C -1.033 174.583 175.800 -0.306 0.000 1.148 1445 F CA -1.226 56.592 58.000 -0.303 0.000 0.940 1445 F CB 1.309 40.141 39.000 -0.280 0.000 1.214 1445 F HN -0.130 nan 8.300 nan 0.000 0.448 1446 N N 4.740 123.255 118.700 -0.308 0.000 2.437 1446 N HA 0.576 5.317 4.740 0.001 0.000 0.259 1446 N C -1.655 173.786 175.510 -0.115 0.000 0.983 1446 N CA 0.041 52.978 53.050 -0.188 0.000 0.937 1446 N CB 1.620 39.994 38.487 -0.189 0.000 1.122 1446 N HN 0.521 nan 8.380 nan 0.000 0.499 1447 V N 2.154 122.068 119.914 -0.000 0.000 3.206 1447 V HA 0.348 4.469 4.120 0.001 0.000 0.305 1447 V C -0.175 175.944 176.094 0.041 0.000 1.257 1447 V CA -0.831 61.500 62.300 0.053 0.000 1.057 1447 V CB 2.087 34.016 31.823 0.177 0.000 1.075 1447 V HN 0.768 nan 8.190 nan 0.000 0.443 1448 E N 1.982 122.204 120.200 0.037 0.000 2.816 1448 E HA 0.206 4.556 4.350 0.001 0.000 0.260 1448 E C -0.116 176.498 176.600 0.023 0.000 1.414 1448 E CA -0.557 55.859 56.400 0.025 0.000 1.074 1448 E CB 0.226 29.934 29.700 0.015 0.000 1.123 1448 E HN 0.608 nan 8.360 nan 0.000 0.664 1449 L N 1.233 122.462 121.223 0.010 0.000 4.094 1449 L HA -0.214 4.126 4.340 0.001 0.000 0.466 1449 L C 0.427 177.277 176.870 -0.034 0.000 0.991 1449 L CA 0.153 54.986 54.840 -0.012 0.000 0.821 1449 L CB -1.633 40.410 42.059 -0.027 0.000 1.201 1449 L HN 0.396 nan 8.230 nan 0.000 0.757 1450 I N -0.113 120.436 120.570 -0.034 0.000 2.779 1450 I HA 0.247 4.417 4.170 0.001 0.000 0.285 1450 I C 0.412 176.420 176.117 -0.181 0.000 1.134 1450 I CA -0.468 60.801 61.300 -0.051 0.000 1.398 1450 I CB 0.658 38.681 38.000 0.038 0.000 1.404 1450 I HN 0.466 nan 8.210 nan 0.000 0.587 1451 Q N 5.009 124.733 119.800 -0.128 0.000 2.256 1451 Q HA 0.448 4.788 4.340 0.001 0.000 0.254 1451 Q C -2.420 173.464 176.000 -0.193 0.000 0.916 1451 Q CA -1.977 53.728 55.803 -0.162 0.000 0.932 1451 Q CB 1.313 30.003 28.738 -0.081 0.000 1.207 1451 Q HN 0.452 nan 8.270 nan 0.000 0.426 1452 P HA -0.058 nan 4.420 nan 0.000 0.261 1452 P C -0.279 176.898 177.300 -0.204 0.000 1.173 1452 P CA 0.374 63.379 63.100 -0.158 0.000 0.760 1452 P CB 0.487 32.149 31.700 -0.063 0.000 0.783 1453 G N 2.191 110.637 108.800 -0.589 0.000 2.683 1453 G HA2 0.480 4.440 3.960 0.001 0.000 0.260 1453 G HA3 0.480 4.440 3.960 0.001 0.000 0.260 1453 G C -0.877 173.761 174.900 -0.438 0.000 1.238 1453 G CA -0.045 44.556 45.100 -0.831 0.000 0.934 1453 G HN 0.643 nan 8.290 nan 0.000 0.534 1454 A N -0.899 121.776 122.820 -0.242 0.000 2.466 1454 A HA 0.576 4.897 4.320 0.001 0.000 0.284 1454 A C -0.958 176.545 177.584 -0.134 0.000 1.049 1454 A CA -0.404 51.458 52.037 -0.292 0.000 0.760 1454 A CB 1.581 20.419 19.000 -0.270 0.000 1.274 1454 A HN 1.016 nan 8.150 nan 0.000 0.412 1455 V N 2.201 122.016 119.914 -0.166 0.000 2.513 1455 V HA 0.612 4.733 4.120 0.001 0.000 0.299 1455 V C 0.130 176.121 176.094 -0.171 0.000 1.035 1455 V CA -0.592 61.650 62.300 -0.097 0.000 0.889 1455 V CB 1.747 33.551 31.823 -0.030 0.000 0.988 1455 V HN 0.907 nan 8.190 nan 0.000 0.440 1456 K N 2.447 122.761 120.400 -0.144 0.000 2.385 1456 K HA 0.895 5.215 4.320 0.001 0.000 0.248 1456 K C -1.464 174.982 176.600 -0.256 0.000 0.955 1456 K CA -0.633 55.574 56.287 -0.134 0.000 0.816 1456 K CB 2.403 34.887 32.500 -0.026 0.000 1.250 1456 K HN 0.618 nan 8.250 nan 0.000 0.434 1457 V N 0.119 119.862 119.914 -0.284 0.000 2.841 1457 V HA 0.766 4.887 4.120 0.001 0.000 0.310 1457 V C -1.506 174.243 176.094 -0.576 0.000 1.090 1457 V CA -0.869 61.092 62.300 -0.565 0.000 0.930 1457 V CB 1.041 32.525 31.823 -0.566 0.000 1.014 1457 V HN 0.901 nan 8.190 nan 0.000 0.425 1458 Y N 0.629 120.580 120.300 -0.582 0.000 2.687 1458 Y HA 0.881 5.431 4.550 0.001 0.000 0.338 1458 Y C -0.350 175.384 175.900 -0.276 0.000 1.189 1458 Y CA -1.013 56.824 58.100 -0.438 0.000 1.097 1458 Y CB 0.589 38.953 38.460 -0.160 0.000 1.342 1458 Y HN 1.141 nan 8.280 nan 0.000 0.461 1459 A N 1.401 124.311 122.820 0.150 0.000 2.340 1459 A HA 0.400 4.720 4.320 0.001 0.000 0.268 1459 A C 0.400 177.957 177.584 -0.045 0.000 1.100 1459 A CA -0.101 51.926 52.037 -0.016 0.000 0.803 1459 A CB -0.219 18.560 19.000 -0.367 0.000 1.043 1459 A HN 1.331 nan 8.150 nan 0.000 0.488 1460 Y N 0.889 121.141 120.300 -0.080 0.000 2.403 1460 Y HA -0.204 4.346 4.550 0.001 0.000 0.291 1460 Y C 1.145 177.067 175.900 0.036 0.000 1.143 1460 Y CA 1.710 59.836 58.100 0.043 0.000 1.257 1460 Y CB -0.650 37.858 38.460 0.079 0.000 0.984 1460 Y HN 0.685 nan 8.280 nan 0.000 0.550 1461 Y N -0.180 119.674 120.300 -0.742 0.000 2.493 1461 Y HA 0.430 4.981 4.550 0.000 0.000 0.275 1461 Y C -0.654 175.103 175.900 -0.239 0.000 1.183 1461 Y CA -1.194 56.520 58.100 -0.645 0.000 1.258 1461 Y CB -0.576 37.435 38.460 -0.748 0.000 1.108 1461 Y HN 0.168 nan 8.280 nan 0.000 0.521 1462 N N 0.440 119.032 118.700 -0.181 0.000 2.777 1462 N HA 0.127 4.868 4.740 0.001 0.000 0.260 1462 N C -0.349 175.081 175.510 -0.132 0.000 1.113 1462 N CA -0.275 52.730 53.050 -0.075 0.000 0.996 1462 N CB 0.975 39.480 38.487 0.030 0.000 1.584 1462 N HN 0.125 nan 8.380 nan 0.000 0.573 1463 L N 2.481 123.586 121.223 -0.198 0.000 2.270 1463 L HA 0.197 4.537 4.340 0.001 0.000 0.210 1463 L C 1.176 177.915 176.870 -0.219 0.000 1.104 1463 L CA 1.811 56.417 54.840 -0.391 0.000 0.804 1463 L CB -0.289 41.543 42.059 -0.379 0.000 0.937 1463 L HN 0.716 nan 8.230 nan 0.000 0.450 1464 E N 0.310 120.456 120.200 -0.090 0.000 2.152 1464 E HA -0.148 4.202 4.350 0.001 0.000 0.192 1464 E C 0.369 176.988 176.600 0.032 0.000 0.983 1464 E CA 0.400 56.786 56.400 -0.024 0.000 0.818 1464 E CB 0.040 29.738 29.700 -0.004 0.000 0.758 1464 E HN 0.569 nan 8.360 nan 0.000 0.467 1465 E N 1.892 122.132 120.200 0.067 0.000 1.814 1465 E HA 0.138 4.489 4.350 0.001 0.000 0.264 1465 E C -0.698 176.030 176.600 0.214 0.000 1.179 1465 E CA -0.252 56.236 56.400 0.146 0.000 0.972 1465 E CB 0.387 30.195 29.700 0.180 0.000 1.077 1465 E HN -0.055 nan 8.360 nan 0.000 0.417 1466 S N 1.836 117.641 115.700 0.176 0.000 2.541 1466 S HA 0.467 4.937 4.470 0.001 0.000 0.280 1466 S C -0.676 174.012 174.600 0.148 0.000 1.112 1466 S CA -0.910 57.401 58.200 0.185 0.000 0.925 1466 S CB 1.545 64.853 63.200 0.179 0.000 1.067 1466 S HN 0.500 nan 8.310 nan 0.000 0.479 1467 c N 2.811 121.474 118.600 0.106 0.000 2.303 1467 c HA 0.802 5.372 4.570 0.001 0.000 0.326 1467 c C 0.059 174.162 174.090 0.022 0.000 1.285 1467 c CA -0.135 56.243 56.329 0.082 0.000 1.675 1467 c CB 0.584 43.155 42.510 0.103 0.000 2.289 1467 c HN 0.952 nan 8.230 nan 0.000 0.512 1468 T N 4.330 118.901 114.554 0.028 0.000 2.791 1468 T HA 0.528 4.878 4.350 0.001 0.000 0.288 1468 T C -0.345 174.319 174.700 -0.061 0.000 0.999 1468 T CA -0.490 61.569 62.100 -0.069 0.000 0.952 1468 T CB 0.853 69.701 68.868 -0.035 0.000 0.938 1468 T HN 0.523 nan 8.240 nan 0.000 0.444 1469 R N 1.647 122.042 120.500 -0.175 0.000 2.686 1469 R HA 0.769 5.110 4.340 0.001 0.000 0.286 1469 R C -1.327 174.865 176.300 -0.181 0.000 0.969 1469 R CA -0.646 55.437 56.100 -0.029 0.000 0.898 1469 R CB 1.130 31.457 30.300 0.046 0.000 1.183 1469 R HN 0.463 nan 8.270 nan 0.000 0.456 1470 F N 1.749 121.764 119.950 0.108 0.000 2.557 1470 F HA 0.521 5.048 4.527 0.001 0.000 0.336 1470 F C -0.472 175.441 175.800 0.187 0.000 1.058 1470 F CA -0.653 57.403 58.000 0.093 0.000 0.988 1470 F CB 1.302 40.312 39.000 0.016 0.000 1.275 1470 F HN 0.440 nan 8.300 nan 0.000 0.488 1471 Y N -0.150 120.281 120.300 0.219 0.000 2.287 1471 Y HA 0.548 5.098 4.550 0.001 0.000 0.325 1471 Y C -1.691 174.305 175.900 0.159 0.000 1.139 1471 Y CA -1.038 57.137 58.100 0.124 0.000 1.167 1471 Y CB 0.459 38.937 38.460 0.030 0.000 1.158 1471 Y HN 0.661 nan 8.280 nan 0.000 0.434 1472 H N 6.873 125.993 119.070 0.083 0.000 2.906 1472 H HA 0.466 5.022 4.556 0.001 0.000 0.324 1472 H C -2.354 173.000 175.328 0.043 0.000 0.973 1472 H CA -2.896 53.167 56.048 0.026 0.000 1.321 1472 H CB 2.464 32.219 29.762 -0.010 0.000 1.535 1472 H HN 0.380 nan 8.280 nan 0.000 0.518 1473 P HA -0.211 nan 4.420 nan 0.000 0.217 1473 P C 0.570 177.728 177.300 -0.237 0.000 1.151 1473 P CA 1.373 64.401 63.100 -0.120 0.000 0.849 1473 P CB 0.867 32.535 31.700 -0.054 0.000 0.787 1474 E N 0.499 120.410 120.200 -0.482 0.000 2.013 1474 E HA -0.040 4.310 4.350 0.001 0.000 0.194 1474 E C 0.504 176.935 176.600 -0.282 0.000 0.973 1474 E CA 0.640 56.827 56.400 -0.355 0.000 0.842 1474 E CB -0.359 29.146 29.700 -0.325 0.000 0.801 1474 E HN 0.240 nan 8.360 nan 0.000 0.476 1475 K N 2.416 122.628 120.400 -0.314 0.000 2.237 1475 K HA 0.080 4.400 4.320 0.001 0.000 0.283 1475 K C -0.398 176.150 176.600 -0.086 0.000 1.080 1475 K CA 0.079 56.293 56.287 -0.122 0.000 0.965 1475 K CB 0.382 32.875 32.500 -0.012 0.000 1.098 1475 K HN 0.142 nan 8.250 nan 0.000 0.434 1476 E N 2.105 122.269 120.200 -0.061 0.000 2.415 1476 E HA -0.109 4.241 4.350 0.001 0.000 0.262 1476 E C -0.611 176.015 176.600 0.044 0.000 1.038 1476 E CA 0.201 56.587 56.400 -0.022 0.000 0.921 1476 E CB 0.325 30.014 29.700 -0.018 0.000 0.950 1476 E HN 0.542 nan 8.360 nan 0.000 0.438 1477 D N 1.731 122.182 120.400 0.086 0.000 2.723 1477 D HA -0.168 4.472 4.640 0.001 0.000 0.236 1477 D C 0.009 176.429 176.300 0.199 0.000 1.138 1477 D CA 0.937 55.027 54.000 0.150 0.000 0.676 1477 D CB -1.268 39.604 40.800 0.120 0.000 1.069 1477 D HN 0.815 nan 8.370 nan 0.000 0.430 1478 G N 0.433 109.355 108.800 0.203 0.000 2.374 1478 G HA2 -0.298 3.662 3.960 0.001 0.000 0.289 1478 G HA3 -0.298 3.662 3.960 0.001 0.000 0.289 1478 G C -0.134 174.799 174.900 0.055 0.000 1.004 1478 G CA 0.406 45.617 45.100 0.185 0.000 1.292 1478 G HN 0.335 nan 8.290 nan 0.000 0.502 1479 K N 1.247 121.685 120.400 0.063 0.000 2.389 1479 K HA 0.578 4.899 4.320 0.001 0.000 0.261 1479 K C 0.601 177.205 176.600 0.007 0.000 1.014 1479 K CA -0.830 55.463 56.287 0.011 0.000 0.920 1479 K CB 0.499 33.022 32.500 0.037 0.000 1.149 1479 K HN 0.306 nan 8.250 nan 0.000 0.444 1480 L N 4.503 125.689 121.223 -0.062 0.000 2.361 1480 L HA 0.208 4.548 4.340 0.001 0.000 0.278 1480 L C -0.021 176.857 176.870 0.014 0.000 1.113 1480 L CA -0.243 54.570 54.840 -0.045 0.000 0.849 1480 L CB 0.402 42.400 42.059 -0.102 0.000 1.155 1480 L HN 0.689 nan 8.230 nan 0.000 0.452 1481 N N 4.932 123.665 118.700 0.055 0.000 2.434 1481 N HA 0.080 4.820 4.740 0.001 0.000 0.268 1481 N C -0.759 174.858 175.510 0.179 0.000 1.256 1481 N CA 0.166 53.309 53.050 0.156 0.000 0.914 1481 N CB 0.330 38.896 38.487 0.131 0.000 1.088 1481 N HN 0.482 nan 8.380 nan 0.000 0.478 1482 K N 1.449 121.975 120.400 0.211 0.000 2.565 1482 K HA 0.306 4.627 4.320 0.001 0.000 0.249 1482 K C -1.470 174.972 176.600 -0.264 0.000 0.958 1482 K CA -0.897 55.386 56.287 -0.006 0.000 0.806 1482 K CB 1.307 33.785 32.500 -0.037 0.000 1.194 1482 K HN 0.181 nan 8.250 nan 0.000 0.434 1483 L N 3.594 124.477 121.223 -0.567 0.000 2.363 1483 L HA 0.230 4.570 4.340 0.001 0.000 0.286 1483 L C -1.126 175.510 176.870 -0.391 0.000 1.106 1483 L CA 0.013 54.331 54.840 -0.870 0.000 0.859 1483 L CB 0.115 41.645 42.059 -0.882 0.000 1.223 1483 L HN 0.834 nan 8.230 nan 0.000 0.446 1484 c N 5.675 124.129 118.600 -0.244 0.000 2.146 1484 c HA 0.378 4.949 4.570 0.001 0.000 0.338 1484 c C 0.685 174.792 174.090 0.028 0.000 1.074 1484 c CA -0.788 55.511 56.329 -0.050 0.000 1.527 1484 c CB -0.852 41.640 42.510 -0.030 0.000 1.915 1484 c HN 0.723 nan 8.230 nan 0.000 0.453 1485 R N 3.194 123.789 120.500 0.158 0.000 2.234 1485 R HA 0.237 4.577 4.340 0.001 0.000 0.324 1485 R C 0.334 176.676 176.300 0.070 0.000 1.054 1485 R CA 0.368 56.547 56.100 0.132 0.000 0.912 1485 R CB 0.287 30.711 30.300 0.207 0.000 1.030 1485 R HN 0.853 nan 8.270 nan 0.000 0.455 1486 D N 2.892 123.305 120.400 0.022 0.000 4.529 1486 D HA -0.309 4.331 4.640 0.001 0.000 0.151 1486 D C 0.537 176.848 176.300 0.018 0.000 0.685 1486 D CA 2.031 56.032 54.000 0.002 0.000 1.198 1486 D CB -0.445 40.337 40.800 -0.031 0.000 0.658 1486 D HN 0.639 nan 8.370 nan 0.000 0.542 1487 E N 0.819 121.032 120.200 0.022 0.000 2.290 1487 E HA 0.261 4.611 4.350 0.001 0.000 0.195 1487 E C 0.609 177.248 176.600 0.066 0.000 0.938 1487 E CA 0.100 56.519 56.400 0.032 0.000 1.018 1487 E CB -0.013 29.698 29.700 0.018 0.000 1.042 1487 E HN 0.557 nan 8.360 nan 0.000 0.483 1488 L N 0.949 122.229 121.223 0.094 0.000 2.462 1488 L HA 0.318 4.658 4.340 0.001 0.000 0.272 1488 L C -0.345 176.704 176.870 0.298 0.000 1.166 1488 L CA -0.692 54.253 54.840 0.175 0.000 0.880 1488 L CB 0.064 42.237 42.059 0.190 0.000 1.142 1488 L HN 0.074 nan 8.230 nan 0.000 0.473 1489 c N 3.111 121.805 118.600 0.157 0.000 2.451 1489 c HA 0.771 5.341 4.570 0.001 0.000 0.391 1489 c C 0.528 174.515 174.090 -0.171 0.000 1.286 1489 c CA -0.784 55.553 56.329 0.014 0.000 1.935 1489 c CB 1.636 44.119 42.510 -0.046 0.000 2.188 1489 c HN 0.903 nan 8.230 nan 0.000 0.523 1490 R N -0.857 119.423 120.500 -0.367 0.000 2.855 1490 R HA 0.485 4.826 4.340 0.001 0.000 0.266 1490 R C -1.180 174.974 176.300 -0.243 0.000 1.034 1490 R CA -0.458 55.408 56.100 -0.390 0.000 0.944 1490 R CB 1.407 31.292 30.300 -0.691 0.000 1.219 1490 R HN 0.853 nan 8.270 nan 0.000 0.474 1491 C N 0.902 120.099 119.300 -0.170 0.000 2.585 1491 C HA 0.514 4.974 4.460 0.001 0.000 0.406 1491 C C 1.110 176.062 174.990 -0.064 0.000 1.312 1491 C CA 0.138 59.100 59.018 -0.092 0.000 1.924 1491 C CB -0.459 27.243 27.740 -0.062 0.000 2.578 1491 C HN 0.805 nan 8.230 nan 0.000 0.580 1492 A N 4.376 127.200 122.820 0.006 0.000 2.589 1492 A HA 0.311 4.631 4.320 0.001 0.000 0.283 1492 A C 1.259 178.884 177.584 0.067 0.000 1.187 1492 A CA 0.031 52.121 52.037 0.087 0.000 0.957 1492 A CB -0.134 19.038 19.000 0.287 0.000 1.175 1492 A HN 0.875 nan 8.150 nan 0.000 0.532 1493 E N 1.010 121.223 120.200 0.022 0.000 2.476 1493 E HA 0.027 4.377 4.350 0.001 0.000 0.191 1493 E C -0.277 176.317 176.600 -0.010 0.000 1.064 1493 E CA 0.127 56.528 56.400 0.002 0.000 0.866 1493 E CB 0.149 29.839 29.700 -0.017 0.000 0.952 1493 E HN 0.725 nan 8.360 nan 0.000 0.492 1494 E N 1.155 121.353 120.200 -0.003 0.000 2.418 1494 E HA 0.013 4.364 4.350 0.001 0.000 0.261 1494 E C 0.054 176.642 176.600 -0.021 0.000 1.070 1494 E CA -0.220 56.175 56.400 -0.008 0.000 0.931 1494 E CB 0.354 30.058 29.700 0.006 0.000 0.954 1494 E HN -0.067 nan 8.360 nan 0.000 0.439 1495 N N 0.536 119.213 118.700 -0.039 0.000 2.407 1495 N HA -0.086 4.655 4.740 0.001 0.000 0.250 1495 N C 0.456 175.898 175.510 -0.114 0.000 1.236 1495 N CA -0.059 52.937 53.050 -0.091 0.000 0.879 1495 N CB 0.428 38.858 38.487 -0.095 0.000 1.088 1495 N HN 0.477 nan 8.380 nan 0.000 0.450 1496 C N 1.856 121.008 119.300 -0.245 0.000 2.376 1496 C HA -0.125 4.336 4.460 0.001 0.000 0.275 1496 C C 0.881 175.816 174.990 -0.092 0.000 1.200 1496 C CA 1.207 60.063 59.018 -0.270 0.000 1.756 1496 C CB -1.408 25.993 27.740 -0.564 0.000 2.050 1496 C HN 0.763 nan 8.230 nan 0.000 0.460 1497 F N -2.527 117.503 119.950 0.135 0.000 3.456 1497 F HA 0.702 5.229 4.527 0.000 0.000 0.329 1497 F C -0.734 175.167 175.800 0.168 0.000 1.251 1497 F CA -1.605 56.527 58.000 0.220 0.000 0.964 1497 F CB 0.144 39.376 39.000 0.387 0.000 1.587 1497 F HN -0.259 nan 8.300 nan 0.000 0.522 1498 I N 1.694 122.614 120.570 0.583 0.000 2.433 1498 I HA 0.389 4.559 4.170 0.001 0.000 0.292 1498 I C -0.366 175.714 176.117 -0.062 0.000 1.001 1498 I CA -0.810 60.578 61.300 0.147 0.000 1.119 1498 I CB 1.578 39.574 38.000 -0.006 0.000 1.289 1498 I HN 0.904 nan 8.210 nan 0.000 0.438 1499 Q N 4.279 124.027 119.800 -0.086 0.000 1.063 1499 Q HA -0.240 4.100 4.340 0.001 0.000 0.408 1499 Q C -0.985 174.994 176.000 -0.034 0.000 1.028 1499 Q CA 1.023 56.742 55.803 -0.141 0.000 0.480 1499 Q CB -0.487 28.076 28.738 -0.293 0.000 5.153 1499 Q HN 0.595 nan 8.270 nan 0.000 0.495 1504 K N 2.312 122.693 120.400 -0.032 0.000 2.288 1504 K HA 0.013 4.333 4.320 0.001 0.000 0.201 1504 K C 0.815 177.406 176.600 -0.015 0.000 1.048 1504 K CA 1.179 57.454 56.287 -0.019 0.000 0.956 1504 K CB -0.558 31.928 32.500 -0.024 0.000 0.746 1504 K HN 0.305 nan 8.250 nan 0.000 0.461 1505 V N 1.706 121.600 119.914 -0.034 0.000 5.817 1505 V HA -0.241 3.879 4.120 0.001 0.000 0.129 1505 V C 0.305 176.392 176.094 -0.012 0.000 0.735 1505 V CA 0.996 63.279 62.300 -0.027 0.000 0.484 1505 V CB -2.784 29.051 31.823 0.021 0.000 0.275 1505 V HN 0.593 nan 8.190 nan 0.000 0.356 1506 T N 0.750 115.286 114.554 -0.031 0.000 2.906 1506 T HA 0.637 4.987 4.350 0.001 0.000 0.283 1506 T C 1.025 175.697 174.700 -0.046 0.000 1.098 1506 T CA -0.027 62.056 62.100 -0.029 0.000 0.960 1506 T CB 1.251 70.107 68.868 -0.021 0.000 1.776 1506 T HN 0.387 nan 8.240 nan 0.000 0.594 1507 L N 0.580 121.783 121.223 -0.033 0.000 2.395 1507 L HA 0.075 4.415 4.340 0.001 0.000 0.218 1507 L C 2.709 179.576 176.870 -0.005 0.000 1.130 1507 L CA 1.032 55.860 54.840 -0.021 0.000 0.826 1507 L CB -0.471 41.599 42.059 0.018 0.000 0.941 1507 L HN 0.682 nan 8.230 nan 0.000 0.451 1508 E N -0.033 120.156 120.200 -0.017 0.000 2.085 1508 E HA -0.247 4.103 4.350 0.001 0.000 0.194 1508 E C 1.112 177.692 176.600 -0.034 0.000 0.994 1508 E CA 1.354 57.742 56.400 -0.019 0.000 0.801 1508 E CB 0.011 29.694 29.700 -0.028 0.000 0.743 1508 E HN 0.550 nan 8.360 nan 0.000 0.453 1509 E N -0.090 120.070 120.200 -0.065 0.000 2.419 1509 E HA 0.113 4.464 4.350 0.001 0.000 0.190 1509 E C 1.279 177.798 176.600 -0.136 0.000 1.040 1509 E CA -0.197 56.139 56.400 -0.107 0.000 0.900 1509 E CB 0.459 30.073 29.700 -0.144 0.000 1.054 1509 E HN 0.106 nan 8.360 nan 0.000 0.462 1510 R N -0.173 120.282 120.500 -0.076 0.000 2.164 1510 R HA 0.176 4.516 4.340 0.001 0.000 0.198 1510 R C 2.103 178.531 176.300 0.213 0.000 1.028 1510 R CA 0.102 56.147 56.100 -0.092 0.000 1.083 1510 R CB 0.087 30.174 30.300 -0.354 0.000 1.026 1510 R HN 0.127 nan 8.270 nan 0.000 0.514 1511 L N 1.183 122.596 121.223 0.316 0.000 2.217 1511 L HA -0.099 4.241 4.340 0.001 0.000 0.211 1511 L C 1.219 178.192 176.870 0.172 0.000 1.107 1511 L CA 1.299 56.354 54.840 0.358 0.000 0.783 1511 L CB 0.023 42.214 42.059 0.220 0.000 0.919 1511 L HN 0.152 nan 8.230 nan 0.000 0.442 1512 D N -0.178 120.267 120.400 0.076 0.000 2.137 1512 D HA -0.147 4.494 4.640 0.001 0.000 0.202 1512 D C 1.785 178.070 176.300 -0.025 0.000 0.970 1512 D CA 1.001 55.007 54.000 0.011 0.000 0.837 1512 D CB 0.084 40.865 40.800 -0.031 0.000 0.981 1512 D HN 0.301 nan 8.370 nan 0.000 0.475 1513 K N 0.661 121.001 120.400 -0.099 0.000 2.504 1513 K HA 0.079 4.399 4.320 0.001 0.000 0.195 1513 K C 1.541 178.038 176.600 -0.172 0.000 1.036 1513 K CA 0.153 56.279 56.287 -0.268 0.000 0.984 1513 K CB 0.273 32.410 32.500 -0.605 0.000 0.788 1513 K HN -0.022 nan 8.250 nan 0.000 0.488 1514 A N 0.206 123.102 122.820 0.127 0.000 2.251 1514 A HA 0.020 4.340 4.320 0.001 0.000 0.209 1514 A C 0.443 178.122 177.584 0.159 0.000 1.187 1514 A CA 0.089 52.304 52.037 0.296 0.000 0.823 1514 A CB -0.025 19.232 19.000 0.428 0.000 0.846 1514 A HN 0.297 nan 8.150 nan 0.000 0.486 1515 C N 0.686 120.034 119.300 0.080 0.000 2.978 1515 C HA 0.640 5.100 4.460 0.001 0.000 0.274 1515 C C -0.317 174.686 174.990 0.023 0.000 1.087 1515 C CA -1.109 57.943 59.018 0.057 0.000 1.453 1515 C CB -0.797 26.974 27.740 0.052 0.000 1.838 1515 C HN 0.490 nan 8.230 nan 0.000 0.470 1516 E N 1.238 121.452 120.200 0.024 0.000 2.393 1516 E HA 0.372 4.722 4.350 0.001 0.000 0.273 1516 E C -2.610 174.006 176.600 0.027 0.000 0.918 1516 E CA -1.896 54.507 56.400 0.006 0.000 0.773 1516 E CB 1.807 31.492 29.700 -0.026 0.000 1.275 1516 E HN 0.113 nan 8.360 nan 0.000 0.451 1517 P HA -0.210 nan 4.420 nan 0.000 0.172 1517 P C 0.364 177.695 177.300 0.051 0.000 0.821 1517 P CA 1.647 64.766 63.100 0.032 0.000 1.150 1517 P CB -0.523 31.191 31.700 0.024 0.000 1.263 1518 G N 0.926 109.761 108.800 0.059 0.000 3.435 1518 G HA2 -0.169 3.792 3.960 0.001 0.000 0.197 1518 G HA3 -0.169 3.792 3.960 0.001 0.000 0.197 1518 G C -0.161 174.794 174.900 0.092 0.000 1.497 1518 G CA -0.181 44.967 45.100 0.080 0.000 1.043 1518 G HN 0.521 nan 8.290 nan 0.000 0.466 1519 V N 1.949 121.922 119.914 0.098 0.000 3.497 1519 V HA -0.054 4.066 4.120 0.001 0.000 0.484 1519 V C -0.233 175.955 176.094 0.156 0.000 0.682 1519 V CA 1.365 63.733 62.300 0.114 0.000 2.014 1519 V CB -0.966 30.914 31.823 0.095 0.000 2.451 1519 V HN 0.867 nan 8.190 nan 0.000 0.502 1520 D N 2.397 122.908 120.400 0.186 0.000 3.035 1520 D HA 0.441 5.081 4.640 0.001 0.000 0.248 1520 D C -0.213 176.261 176.300 0.290 0.000 1.260 1520 D CA -0.021 54.145 54.000 0.276 0.000 1.058 1520 D CB 0.892 41.900 40.800 0.346 0.000 1.262 1520 D HN 0.630 nan 8.370 nan 0.000 0.633 1521 Y N 0.120 120.614 120.300 0.324 0.000 2.359 1521 Y HA 0.519 5.070 4.550 0.000 0.000 0.330 1521 Y C -0.541 175.506 175.900 0.245 0.000 1.143 1521 Y CA -0.672 57.616 58.100 0.313 0.000 1.318 1521 Y CB 0.463 39.191 38.460 0.447 0.000 1.234 1521 Y HN -0.146 nan 8.280 nan 0.000 0.522 1522 V N 5.299 125.318 119.914 0.174 0.000 2.638 1522 V HA 0.404 4.524 4.120 0.001 0.000 0.306 1522 V C -1.165 174.872 176.094 -0.095 0.000 1.052 1522 V CA -1.130 61.157 62.300 -0.022 0.000 0.885 1522 V CB 1.215 32.989 31.823 -0.082 0.000 0.999 1522 V HN 0.815 nan 8.190 nan 0.000 0.424 1523 Y N 2.106 122.366 120.300 -0.066 0.000 2.492 1523 Y HA 0.507 5.057 4.550 0.001 0.000 0.346 1523 Y C 0.023 175.887 175.900 -0.061 0.000 0.997 1523 Y CA -0.799 57.290 58.100 -0.019 0.000 1.025 1523 Y CB 2.417 40.893 38.460 0.027 0.000 1.263 1523 Y HN 0.477 nan 8.280 nan 0.000 0.454 1524 K N 3.426 123.914 120.400 0.145 0.000 2.404 1524 K HA 0.432 4.753 4.320 0.001 0.000 0.257 1524 K C -1.162 175.542 176.600 0.173 0.000 1.026 1524 K CA -0.231 56.144 56.287 0.147 0.000 0.951 1524 K CB 0.452 33.056 32.500 0.172 0.000 1.203 1524 K HN 0.841 nan 8.250 nan 0.000 0.446 1525 T N 0.693 115.327 114.554 0.133 0.000 2.924 1525 T HA 0.481 4.831 4.350 0.001 0.000 0.291 1525 T C -0.429 174.313 174.700 0.071 0.000 1.045 1525 T CA -1.021 61.131 62.100 0.088 0.000 1.015 1525 T CB 1.972 70.829 68.868 -0.018 0.000 1.103 1525 T HN 0.485 nan 8.240 nan 0.000 0.496 1526 R N 1.165 121.683 120.500 0.030 0.000 2.437 1526 R HA 0.493 4.834 4.340 0.001 0.000 0.310 1526 R C -0.864 175.424 176.300 -0.019 0.000 0.955 1526 R CA -0.968 55.106 56.100 -0.043 0.000 0.851 1526 R CB 1.206 31.445 30.300 -0.101 0.000 1.161 1526 R HN 0.631 nan 8.270 nan 0.000 0.446 1527 L N 4.958 126.189 121.223 0.014 0.000 2.490 1527 L HA 0.021 4.361 4.340 0.001 0.000 0.274 1527 L C 0.143 177.021 176.870 0.014 0.000 1.201 1527 L CA 0.799 55.658 54.840 0.032 0.000 0.869 1527 L CB 1.399 43.516 42.059 0.097 0.000 1.123 1527 L HN 0.578 nan 8.230 nan 0.000 0.484 1528 V N 2.709 122.641 119.914 0.030 0.000 2.721 1528 V HA 0.312 4.432 4.120 0.001 0.000 0.236 1528 V C 0.272 176.383 176.094 0.028 0.000 1.116 1528 V CA 0.350 62.664 62.300 0.023 0.000 1.148 1528 V CB -0.151 31.689 31.823 0.030 0.000 0.886 1528 V HN 0.777 nan 8.190 nan 0.000 0.490 1529 K N 0.061 120.486 120.400 0.042 0.000 2.468 1529 K HA 0.635 4.956 4.320 0.001 0.000 0.252 1529 K C -1.625 174.993 176.600 0.030 0.000 0.932 1529 K CA -0.298 56.007 56.287 0.030 0.000 0.794 1529 K CB 2.356 34.868 32.500 0.021 0.000 1.241 1529 K HN -0.024 nan 8.250 nan 0.000 0.428 1530 V N 4.071 123.988 119.914 0.004 0.000 2.384 1530 V HA 0.385 4.505 4.120 0.001 0.000 0.287 1530 V C -0.829 175.208 176.094 -0.094 0.000 1.020 1530 V CA -0.749 61.517 62.300 -0.057 0.000 0.850 1530 V CB 1.458 33.270 31.823 -0.018 0.000 0.987 1530 V HN 0.695 nan 8.190 nan 0.000 0.436 1531 Q N 4.170 123.876 119.800 -0.156 0.000 2.563 1531 Q HA 0.480 4.820 4.340 0.001 0.000 0.232 1531 Q C -0.894 175.020 176.000 -0.142 0.000 1.106 1531 Q CA -0.265 55.470 55.803 -0.113 0.000 0.913 1531 Q CB 1.138 29.832 28.738 -0.072 0.000 1.175 1531 Q HN 0.651 nan 8.270 nan 0.000 0.540 1532 L N 1.403 122.560 121.223 -0.111 0.000 2.600 1532 L HA 0.128 4.468 4.340 0.001 0.000 0.278 1532 L C 0.402 177.239 176.870 -0.056 0.000 1.139 1532 L CA 0.485 55.270 54.840 -0.092 0.000 0.933 1532 L CB 0.176 42.200 42.059 -0.059 0.000 1.266 1532 L HN 0.402 nan 8.230 nan 0.000 0.471 1533 S N 1.593 117.264 115.700 -0.049 0.000 2.713 1533 S HA 0.325 4.795 4.470 0.001 0.000 0.283 1533 S C 1.256 175.848 174.600 -0.013 0.000 1.161 1533 S CA -0.673 57.519 58.200 -0.014 0.000 0.999 1533 S CB 1.018 64.228 63.200 0.017 0.000 1.039 1533 S HN 0.672 nan 8.310 nan 0.000 0.548 1534 N N 1.706 120.407 118.700 0.002 0.000 2.120 1534 N HA -0.086 4.654 4.740 0.001 0.000 0.188 1534 N C 1.142 176.639 175.510 -0.023 0.000 1.024 1534 N CA 1.819 54.865 53.050 -0.006 0.000 0.852 1534 N CB -0.031 38.460 38.487 0.007 0.000 1.003 1534 N HN 0.762 nan 8.380 nan 0.000 0.424 1535 D N -1.749 118.653 120.400 0.003 0.000 2.597 1535 D HA 0.007 4.647 4.640 0.001 0.000 0.261 1535 D C -0.474 175.690 176.300 -0.226 0.000 1.023 1535 D CA 0.197 54.164 54.000 -0.055 0.000 0.927 1535 D CB -0.120 40.728 40.800 0.080 0.000 1.168 1535 D HN 0.081 nan 8.370 nan 0.000 0.491 1536 F N 1.685 121.635 119.950 -0.000 0.000 2.577 1536 F HA 0.317 4.845 4.527 0.001 0.000 0.344 1536 F C -0.359 175.431 175.800 -0.016 0.000 1.145 1536 F CA -1.029 56.973 58.000 0.003 0.000 0.996 1536 F CB 1.629 40.636 39.000 0.010 0.000 1.248 1536 F HN -0.320 nan 8.300 nan 0.000 0.447 1537 D N 1.444 121.887 120.400 0.072 0.000 2.380 1537 D HA 0.331 4.971 4.640 0.001 0.000 0.254 1537 D C -0.511 175.741 176.300 -0.079 0.000 1.288 1537 D CA -0.173 53.790 54.000 -0.062 0.000 1.008 1537 D CB 0.626 41.316 40.800 -0.183 0.000 1.099 1537 D HN 0.451 nan 8.370 nan 0.000 0.537 1538 E N -1.040 118.991 120.200 -0.283 0.000 2.331 1538 E HA 0.360 4.710 4.350 0.001 0.000 0.275 1538 E C -1.424 174.909 176.600 -0.445 0.000 0.895 1538 E CA -0.780 55.500 56.400 -0.199 0.000 0.753 1538 E CB 1.692 31.360 29.700 -0.053 0.000 1.216 1538 E HN 0.344 nan 8.360 nan 0.000 0.434 1539 Y N 1.365 121.738 120.300 0.121 0.000 2.346 1539 Y HA 0.454 5.005 4.550 0.000 0.000 0.332 1539 Y C -0.246 175.749 175.900 0.159 0.000 0.985 1539 Y CA -0.682 57.474 58.100 0.093 0.000 1.112 1539 Y CB 1.271 39.753 38.460 0.037 0.000 1.170 1539 Y HN 0.317 nan 8.280 nan 0.000 0.447 1540 I N 5.399 126.102 120.570 0.222 0.000 2.328 1540 I HA 0.346 4.516 4.170 0.001 0.000 0.287 1540 I C -0.628 175.567 176.117 0.131 0.000 1.012 1540 I CA -0.455 60.963 61.300 0.197 0.000 1.195 1540 I CB 0.632 38.706 38.000 0.123 0.000 1.350 1540 I HN 0.482 nan 8.210 nan 0.000 0.464 1541 M N 4.800 124.478 119.600 0.130 0.000 2.598 1541 M HA 0.650 5.131 4.480 0.001 0.000 0.317 1541 M C -0.165 176.168 176.300 0.054 0.000 1.201 1541 M CA -0.666 54.636 55.300 0.003 0.000 0.971 1541 M CB 1.760 34.211 32.600 -0.248 0.000 1.657 1541 M HN 0.531 nan 8.290 nan 0.000 0.470 1542 A N 2.640 125.480 122.820 0.033 0.000 2.318 1542 A HA 0.778 5.099 4.320 0.001 0.000 0.317 1542 A C -0.542 177.087 177.584 0.074 0.000 1.159 1542 A CA -0.667 51.404 52.037 0.056 0.000 0.799 1542 A CB 0.492 19.520 19.000 0.045 0.000 1.194 1542 A HN 0.817 nan 8.150 nan 0.000 0.479 1543 I N 2.865 123.498 120.570 0.105 0.000 2.371 1543 I HA 0.203 4.373 4.170 0.001 0.000 0.290 1543 I C 0.813 177.011 176.117 0.136 0.000 1.028 1543 I CA -0.361 61.039 61.300 0.166 0.000 1.345 1543 I CB 1.074 39.222 38.000 0.246 0.000 1.407 1543 I HN 0.772 nan 8.210 nan 0.000 0.501 1544 E N 5.506 125.786 120.200 0.133 0.000 2.033 1544 E HA 0.003 4.353 4.350 0.001 0.000 0.194 1544 E C 0.092 176.745 176.600 0.087 0.000 0.960 1544 E CA 0.660 57.118 56.400 0.096 0.000 0.842 1544 E CB -0.096 29.656 29.700 0.086 0.000 0.816 1544 E HN 0.744 nan 8.360 nan 0.000 0.468 1545 Q N 0.672 120.522 119.800 0.083 0.000 2.359 1545 Q HA 0.492 4.833 4.340 0.001 0.000 0.274 1545 Q C -0.671 175.342 176.000 0.021 0.000 1.074 1545 Q CA -0.753 55.082 55.803 0.053 0.000 0.810 1545 Q CB 1.725 30.484 28.738 0.035 0.000 1.342 1545 Q HN 0.022 nan 8.270 nan 0.000 0.427 1546 T N -0.487 114.047 114.554 -0.033 0.000 2.904 1546 T HA 0.440 4.790 4.350 0.001 0.000 0.290 1546 T C 0.517 175.124 174.700 -0.155 0.000 1.018 1546 T CA -0.470 61.515 62.100 -0.191 0.000 1.075 1546 T CB 0.562 69.293 68.868 -0.229 0.000 0.986 1546 T HN 0.610 nan 8.240 nan 0.000 0.523 1547 I N 0.129 120.569 120.570 -0.216 0.000 3.300 1547 I HA 0.399 4.569 4.170 0.001 0.000 0.279 1547 I C 0.900 176.951 176.117 -0.110 0.000 1.172 1547 I CA 0.387 61.609 61.300 -0.129 0.000 1.431 1547 I CB 0.127 38.072 38.000 -0.092 0.000 1.240 1547 I HN 0.620 nan 8.210 nan 0.000 0.453 1548 K N 0.460 120.780 120.400 -0.133 0.000 2.535 1548 K HA 0.503 4.823 4.320 0.001 0.000 0.250 1548 K C -1.089 175.496 176.600 -0.025 0.000 0.948 1548 K CA -0.369 55.894 56.287 -0.041 0.000 0.796 1548 K CB 1.680 34.202 32.500 0.036 0.000 1.216 1548 K HN -0.102 nan 8.250 nan 0.000 0.432 1549 S N 1.597 117.318 115.700 0.036 0.000 2.545 1549 S HA 0.316 4.787 4.470 0.001 0.000 0.275 1549 S C 0.475 175.197 174.600 0.204 0.000 1.299 1549 S CA -0.468 57.796 58.200 0.108 0.000 1.048 1549 S CB 1.491 64.742 63.200 0.084 0.000 0.938 1549 S HN 0.803 nan 8.310 nan 0.000 0.496 1550 G N 1.769 110.766 108.800 0.328 0.000 3.311 1550 G HA2 0.134 4.094 3.960 0.001 0.000 0.169 1550 G HA3 0.134 4.094 3.960 0.001 0.000 0.169 1550 G C 1.126 176.145 174.900 0.198 0.000 1.852 1550 G CA -0.152 45.188 45.100 0.398 0.000 1.010 1550 G HN 0.612 nan 8.290 nan 0.000 0.530 1551 S N 0.645 116.382 115.700 0.061 0.000 2.377 1551 S HA 0.030 4.501 4.470 0.001 0.000 0.223 1551 S C 0.884 175.451 174.600 -0.056 0.000 1.030 1551 S CA 1.139 59.255 58.200 -0.141 0.000 0.970 1551 S CB -0.276 62.600 63.200 -0.541 0.000 0.830 1551 S HN 0.756 nan 8.310 nan 0.000 0.473 1552 D N 0.935 121.343 120.400 0.014 0.000 2.487 1552 D HA 0.455 5.096 4.640 0.001 0.000 0.262 1552 D C -0.893 175.462 176.300 0.093 0.000 1.130 1552 D CA -0.463 53.563 54.000 0.043 0.000 1.038 1552 D CB 0.816 41.650 40.800 0.056 0.000 1.142 1552 D HN -0.134 nan 8.370 nan 0.000 0.575 1553 E N -0.459 119.787 120.200 0.076 0.000 2.216 1553 E HA 0.489 4.839 4.350 0.001 0.000 0.260 1553 E C -1.273 175.378 176.600 0.086 0.000 0.880 1553 E CA -0.765 55.685 56.400 0.085 0.000 0.765 1553 E CB 2.195 31.929 29.700 0.056 0.000 1.174 1553 E HN 0.289 nan 8.360 nan 0.000 0.417 1554 V N 2.569 122.551 119.914 0.113 0.000 2.960 1554 V HA 0.469 4.589 4.120 0.001 0.000 0.315 1554 V C -0.996 175.157 176.094 0.098 0.000 1.087 1554 V CA -0.764 61.600 62.300 0.106 0.000 0.982 1554 V CB 2.248 34.150 31.823 0.132 0.000 1.039 1554 V HN 0.658 nan 8.190 nan 0.000 0.437 1555 Q N 2.450 122.297 119.800 0.079 0.000 2.261 1555 Q HA 0.462 4.802 4.340 0.001 0.000 0.252 1555 Q C -0.889 175.158 176.000 0.078 0.000 0.915 1555 Q CA -0.166 55.677 55.803 0.068 0.000 0.915 1555 Q CB 1.695 30.463 28.738 0.050 0.000 1.204 1555 Q HN 0.628 nan 8.270 nan 0.000 0.421 1556 V N 4.557 124.516 119.914 0.075 0.000 2.434 1556 V HA 0.354 4.475 4.120 0.001 0.000 0.281 1556 V C 1.198 177.330 176.094 0.064 0.000 1.005 1556 V CA 1.656 64.004 62.300 0.079 0.000 1.089 1556 V CB -0.039 31.825 31.823 0.069 0.000 0.978 1556 V HN 1.043 nan 8.190 nan 0.000 0.474 1557 G N 4.020 112.861 108.800 0.068 0.000 3.246 1557 G HA2 -0.076 3.884 3.960 0.001 0.000 0.218 1557 G HA3 -0.076 3.884 3.960 0.001 0.000 0.218 1557 G C 0.007 174.940 174.900 0.056 0.000 0.978 1557 G CA -0.547 44.586 45.100 0.055 0.000 0.825 1557 G HN 0.565 nan 8.290 nan 0.000 0.546 1558 Q N 0.468 120.308 119.800 0.066 0.000 2.260 1558 Q HA 0.769 5.109 4.340 0.001 0.000 0.238 1558 Q C -0.126 175.918 176.000 0.073 0.000 0.948 1558 Q CA 0.166 56.008 55.803 0.064 0.000 0.895 1558 Q CB 1.131 29.908 28.738 0.066 0.000 1.218 1558 Q HN 0.353 nan 8.270 nan 0.000 0.470 1559 Q N 0.414 120.256 119.800 0.071 0.000 2.345 1559 Q HA 0.557 4.897 4.340 0.001 0.000 0.268 1559 Q C -0.786 175.274 176.000 0.101 0.000 1.054 1559 Q CA -0.687 55.169 55.803 0.089 0.000 0.835 1559 Q CB 1.811 30.596 28.738 0.079 0.000 1.339 1559 Q HN 0.305 nan 8.270 nan 0.000 0.447 1560 R N 0.019 120.613 120.500 0.157 0.000 3.029 1560 R HA 0.716 5.056 4.340 0.001 0.000 0.239 1560 R C -0.797 175.620 176.300 0.194 0.000 1.351 1560 R CA -0.776 55.414 56.100 0.149 0.000 1.052 1560 R CB 1.622 32.025 30.300 0.172 0.000 1.354 1560 R HN 0.602 nan 8.270 nan 0.000 0.499 1561 T N 1.370 115.967 114.554 0.072 0.000 2.812 1561 T HA 0.574 4.925 4.350 0.001 0.000 0.282 1561 T C -0.945 173.774 174.700 0.032 0.000 0.990 1561 T CA -0.395 61.781 62.100 0.127 0.000 0.960 1561 T CB 0.547 69.448 68.868 0.054 0.000 0.948 1561 T HN 0.182 nan 8.240 nan 0.000 0.438 1562 F N 2.600 122.660 119.950 0.184 0.000 2.493 1562 F HA 0.639 5.167 4.527 0.001 0.000 0.329 1562 F C 0.036 176.009 175.800 0.288 0.000 1.126 1562 F CA -1.225 56.907 58.000 0.219 0.000 0.937 1562 F CB 1.133 40.225 39.000 0.154 0.000 1.146 1562 F HN 0.352 nan 8.300 nan 0.000 0.442 1563 I N 2.302 123.093 120.570 0.367 0.000 2.530 1563 I HA 0.559 4.729 4.170 0.001 0.000 0.297 1563 I C -0.356 175.975 176.117 0.356 0.000 1.011 1563 I CA -0.675 60.830 61.300 0.341 0.000 1.107 1563 I CB 2.250 40.381 38.000 0.217 0.000 1.285 1563 I HN 0.602 nan 8.210 nan 0.000 0.436 1564 S N 4.571 120.511 115.700 0.399 0.000 2.566 1564 S HA 0.720 5.190 4.470 0.001 0.000 0.298 1564 S C -2.818 171.917 174.600 0.226 0.000 1.083 1564 S CA -1.622 56.763 58.200 0.307 0.000 0.978 1564 S CB 1.992 65.390 63.200 0.330 0.000 1.073 1564 S HN 0.207 nan 8.310 nan 0.000 0.491 1565 P HA 0.165 nan 4.420 nan 0.000 0.272 1565 P C 0.855 177.985 177.300 -0.283 0.000 1.254 1565 P CA -0.631 62.404 63.100 -0.107 0.000 0.795 1565 P CB 0.364 32.064 31.700 0.000 0.000 1.022 1566 I N 0.796 121.087 120.570 -0.465 0.000 2.761 1566 I HA -0.159 4.012 4.170 0.001 0.000 0.261 1566 I C 1.754 177.784 176.117 -0.146 0.000 1.198 1566 I CA 1.550 62.659 61.300 -0.320 0.000 1.482 1566 I CB -0.457 37.331 38.000 -0.353 0.000 1.100 1566 I HN 0.417 nan 8.210 nan 0.000 0.445 1567 K N -0.036 120.302 120.400 -0.104 0.000 2.167 1567 K HA -0.044 4.276 4.320 0.001 0.000 0.203 1567 K C 1.284 177.879 176.600 -0.009 0.000 1.052 1567 K CA 0.767 57.029 56.287 -0.042 0.000 0.956 1567 K CB -0.699 31.786 32.500 -0.024 0.000 0.735 1567 K HN 0.205 nan 8.250 nan 0.000 0.451 1568 C N 2.795 122.097 119.300 0.003 0.000 3.329 1568 C HA 0.281 4.742 4.460 0.001 0.000 0.537 1568 C C 1.330 176.356 174.990 0.061 0.000 1.034 1568 C CA -0.712 58.339 59.018 0.055 0.000 1.086 1568 C CB -1.913 25.875 27.740 0.080 0.000 1.392 1568 C HN 0.462 nan 8.230 nan 0.000 0.612 1569 R N 1.526 122.055 120.500 0.047 0.000 1.906 1569 R HA 0.083 4.423 4.340 0.001 0.000 0.186 1569 R C 1.991 178.326 176.300 0.058 0.000 1.615 1569 R CA 0.717 56.842 56.100 0.042 0.000 1.265 1569 R CB -0.229 30.080 30.300 0.015 0.000 0.976 1569 R HN 0.529 nan 8.270 nan 0.000 0.487 1570 E N -0.489 119.743 120.200 0.053 0.000 2.489 1570 E HA 0.075 4.426 4.350 0.001 0.000 0.193 1570 E C 0.957 177.600 176.600 0.072 0.000 1.057 1570 E CA 0.460 56.893 56.400 0.055 0.000 0.866 1570 E CB 0.354 30.080 29.700 0.043 0.000 0.916 1570 E HN 0.450 nan 8.360 nan 0.000 0.500 1571 A N 0.159 123.042 122.820 0.104 0.000 2.072 1571 A HA 0.088 4.409 4.320 0.001 0.000 0.216 1571 A C 1.466 179.134 177.584 0.140 0.000 1.156 1571 A CA 0.456 52.596 52.037 0.172 0.000 0.701 1571 A CB 0.297 19.465 19.000 0.279 0.000 0.816 1571 A HN 0.252 nan 8.150 nan 0.000 0.458 1572 L N 0.030 121.304 121.223 0.086 0.000 3.431 1572 L HA 0.146 4.486 4.340 0.001 0.000 0.316 1572 L C -0.120 176.718 176.870 -0.053 0.000 1.305 1572 L CA -0.422 54.416 54.840 -0.005 0.000 0.995 1572 L CB 0.498 42.572 42.059 0.025 0.000 1.411 1572 L HN 0.337 nan 8.230 nan 0.000 0.610 1573 K N 1.266 121.668 120.400 0.004 0.000 2.368 1573 K HA 0.477 4.797 4.320 0.001 0.000 0.282 1573 K C -0.868 175.724 176.600 -0.013 0.000 1.035 1573 K CA -0.057 56.248 56.287 0.029 0.000 0.973 1573 K CB 1.022 33.557 32.500 0.058 0.000 0.957 1573 K HN 0.131 nan 8.250 nan 0.000 0.474 1574 L N 2.838 124.052 121.223 -0.015 0.000 2.346 1574 L HA 0.313 4.654 4.340 0.001 0.000 0.276 1574 L C -0.069 176.850 176.870 0.081 0.000 1.006 1574 L CA -1.226 53.592 54.840 -0.037 0.000 0.817 1574 L CB 1.813 43.683 42.059 -0.315 0.000 1.272 1574 L HN 0.659 nan 8.230 nan 0.000 0.421 1575 E N 2.185 122.458 120.200 0.123 0.000 2.354 1575 E HA 0.145 4.495 4.350 0.001 0.000 0.269 1575 E C -0.457 176.195 176.600 0.087 0.000 1.036 1575 E CA -0.250 56.202 56.400 0.088 0.000 0.876 1575 E CB 0.863 30.597 29.700 0.056 0.000 1.009 1575 E HN 0.469 nan 8.360 nan 0.000 0.416 1576 E N 1.397 121.626 120.200 0.047 0.000 2.413 1576 E HA -0.023 4.328 4.350 0.001 0.000 0.263 1576 E C -0.160 176.420 176.600 -0.033 0.000 1.015 1576 E CA 0.171 56.586 56.400 0.026 0.000 0.916 1576 E CB 0.312 30.020 29.700 0.015 0.000 0.947 1576 E HN 0.319 nan 8.360 nan 0.000 0.440 1577 K N 0.711 121.077 120.400 -0.057 0.000 3.069 1577 K HA -0.241 4.079 4.320 0.001 0.000 0.267 1577 K C -0.558 175.844 176.600 -0.329 0.000 1.082 1577 K CA 0.707 56.901 56.287 -0.155 0.000 0.782 1577 K CB -0.990 31.438 32.500 -0.120 0.000 1.230 1577 K HN 0.376 nan 8.250 nan 0.000 0.488 1578 K N 0.793 120.973 120.400 -0.365 0.000 2.118 1578 K HA 0.270 4.591 4.320 0.001 0.000 0.254 1578 K C -0.141 175.909 176.600 -0.917 0.000 0.961 1578 K CA -0.821 55.060 56.287 -0.676 0.000 0.876 1578 K CB 0.789 32.888 32.500 -0.669 0.000 1.077 1578 K HN 0.121 nan 8.250 nan 0.000 0.440 1579 H N 2.365 121.081 119.070 -0.589 0.000 2.580 1579 H HA 0.159 4.716 4.556 0.000 0.000 0.322 1579 H C -0.591 174.417 175.328 -0.533 0.000 1.082 1579 H CA 0.164 55.954 56.048 -0.429 0.000 1.383 1579 H CB 0.424 29.989 29.762 -0.328 0.000 1.450 1579 H HN 0.452 nan 8.280 nan 0.000 0.505 1580 Y N 0.805 121.134 120.300 0.049 0.000 2.805 1580 Y HA 0.391 4.941 4.550 0.000 0.000 0.321 1580 Y C -0.408 175.472 175.900 -0.032 0.000 1.203 1580 Y CA -1.205 56.864 58.100 -0.053 0.000 1.165 1580 Y CB 1.295 39.636 38.460 -0.198 0.000 1.371 1580 Y HN 0.403 nan 8.280 nan 0.000 0.564 1581 L N 1.650 122.900 121.223 0.045 0.000 2.541 1581 L HA 0.629 4.969 4.340 0.001 0.000 0.266 1581 L C -1.678 174.989 176.870 -0.338 0.000 0.966 1581 L CA -0.389 54.332 54.840 -0.198 0.000 0.871 1581 L CB 1.054 42.983 42.059 -0.216 0.000 1.232 1581 L HN 0.623 nan 8.230 nan 0.000 0.408 1582 M N 3.743 123.076 119.600 -0.446 0.000 2.631 1582 M HA 0.557 5.037 4.480 0.001 0.000 0.288 1582 M C -1.174 174.863 176.300 -0.438 0.000 1.260 1582 M CA -0.491 54.634 55.300 -0.292 0.000 0.842 1582 M CB 2.805 35.327 32.600 -0.131 0.000 1.743 1582 M HN 0.507 nan 8.290 nan 0.000 0.461 1583 W N -0.543 120.763 121.300 0.011 0.000 3.878 1583 W HA 0.783 5.443 4.660 0.000 0.000 0.372 1583 W C -0.207 176.116 176.519 -0.327 0.000 1.166 1583 W CA -0.349 56.932 57.345 -0.106 0.000 0.923 1583 W CB 1.185 30.629 29.460 -0.027 0.000 1.827 1583 W HN 0.816 nan 8.180 nan 0.000 0.625 1584 G N 0.193 108.906 108.800 -0.145 0.000 2.321 1584 G HA2 0.294 4.254 3.960 0.001 0.000 0.339 1584 G HA3 0.294 4.254 3.960 0.001 0.000 0.339 1584 G C -1.792 172.930 174.900 -0.296 0.000 1.518 1584 G CA -0.917 43.997 45.100 -0.310 0.000 0.994 1584 G HN 0.519 nan 8.290 nan 0.000 0.668 1585 L N -0.922 120.347 121.223 0.078 0.000 2.267 1585 L HA 0.844 5.185 4.340 0.001 0.000 0.264 1585 L C 1.775 178.911 176.870 0.444 0.000 1.021 1585 L CA -0.311 54.666 54.840 0.228 0.000 0.861 1585 L CB 1.334 43.489 42.059 0.160 0.000 1.443 1585 L HN 0.800 nan 8.230 nan 0.000 0.475 1586 S N -1.581 114.378 115.700 0.433 0.000 2.481 1586 S HA -0.109 4.362 4.470 0.001 0.000 0.231 1586 S C 1.474 176.375 174.600 0.501 0.000 0.996 1586 S CA 0.640 59.180 58.200 0.566 0.000 0.942 1586 S CB -0.641 62.765 63.200 0.344 0.000 0.768 1586 S HN 0.779 nan 8.310 nan 0.000 0.520 1587 S N 0.708 116.603 115.700 0.324 0.000 2.603 1587 S HA 0.123 4.593 4.470 0.001 0.000 0.220 1587 S C 0.784 175.518 174.600 0.224 0.000 0.967 1587 S CA 0.107 58.453 58.200 0.244 0.000 0.920 1587 S CB -0.176 63.117 63.200 0.155 0.000 0.773 1587 S HN 0.296 nan 8.310 nan 0.000 0.529 1588 D N 0.769 121.307 120.400 0.231 0.000 2.340 1588 D HA 0.249 4.889 4.640 0.001 0.000 0.220 1588 D C -0.733 175.545 176.300 -0.036 0.000 1.039 1588 D CA -0.116 53.945 54.000 0.101 0.000 0.866 1588 D CB -0.153 40.737 40.800 0.150 0.000 0.913 1588 D HN 0.388 nan 8.370 nan 0.000 0.523 1589 F N 0.729 120.721 119.950 0.070 0.000 2.471 1589 F HA 0.177 4.704 4.527 0.001 0.000 0.365 1589 F C 0.583 176.446 175.800 0.105 0.000 1.095 1589 F CA -0.213 57.754 58.000 -0.054 0.000 1.174 1589 F CB 0.568 39.535 39.000 -0.056 0.000 1.105 1589 F HN -0.117 nan 8.300 nan 0.000 0.535 1590 W N 4.150 125.376 121.300 -0.124 0.000 2.844 1590 W HA 0.529 5.189 4.660 0.000 0.000 0.340 1590 W C -0.019 176.430 176.519 -0.118 0.000 1.093 1590 W CA -0.703 56.579 57.345 -0.106 0.000 1.212 1590 W CB 2.189 31.570 29.460 -0.132 0.000 1.422 1590 W HN 0.764 nan 8.180 nan 0.000 0.515 1591 G N 3.173 111.518 108.800 -0.758 0.000 2.755 1591 G HA2 -0.208 3.753 3.960 0.001 0.000 0.686 1591 G HA3 -0.208 3.753 3.960 0.001 0.000 0.686 1591 G C -0.773 173.929 174.900 -0.329 0.000 1.427 1591 G CA -0.863 43.895 45.100 -0.569 0.000 0.873 1591 G HN 0.475 nan 8.290 nan 0.000 0.580 1592 E N 1.214 121.252 120.200 -0.270 0.000 2.354 1592 E HA 0.244 4.595 4.350 0.001 0.000 0.269 1592 E C 0.902 177.424 176.600 -0.129 0.000 1.036 1592 E CA -0.268 56.024 56.400 -0.180 0.000 0.876 1592 E CB 0.968 30.574 29.700 -0.156 0.000 1.009 1592 E HN 0.523 nan 8.360 nan 0.000 0.416 1593 K N 2.578 122.918 120.400 -0.100 0.000 2.380 1593 K HA 0.049 4.369 4.320 0.001 0.000 0.267 1593 K C -1.272 175.293 176.600 -0.059 0.000 0.990 1593 K CA -0.936 55.307 56.287 -0.072 0.000 0.946 1593 K CB 0.270 32.734 32.500 -0.060 0.000 0.937 1593 K HN 0.333 nan 8.250 nan 0.000 0.491 1594 P HA 0.004 nan 4.420 nan 0.000 0.255 1594 P C -0.503 176.773 177.300 -0.040 0.000 1.248 1594 P CA 0.381 63.462 63.100 -0.032 0.000 0.807 1594 P CB 0.279 31.971 31.700 -0.014 0.000 1.150 1595 N N 1.205 119.871 118.700 -0.057 0.000 3.193 1595 N HA 0.099 4.839 4.740 0.001 0.000 0.312 1595 N C -0.071 175.376 175.510 -0.105 0.000 1.261 1595 N CA 0.108 53.118 53.050 -0.067 0.000 1.208 1595 N CB -0.030 38.418 38.487 -0.065 0.000 1.471 1595 N HN 0.283 nan 8.380 nan 0.000 0.548 1596 L N 0.709 121.860 121.223 -0.120 0.000 2.397 1596 L HA 0.170 4.510 4.340 0.001 0.000 0.271 1596 L C 0.550 177.198 176.870 -0.370 0.000 1.148 1596 L CA 0.140 54.847 54.840 -0.221 0.000 0.825 1596 L CB 0.969 42.912 42.059 -0.194 0.000 1.117 1596 L HN 0.109 nan 8.230 nan 0.000 0.456 1597 S N 0.967 116.380 115.700 -0.477 0.000 2.568 1597 S HA 0.697 5.167 4.470 0.001 0.000 0.293 1597 S C -1.332 172.793 174.600 -0.791 0.000 1.089 1597 S CA -0.547 57.357 58.200 -0.494 0.000 0.945 1597 S CB 1.593 64.711 63.200 -0.136 0.000 1.077 1597 S HN 0.257 nan 8.310 nan 0.000 0.485 1598 Y N 0.680 120.669 120.300 -0.518 0.000 2.562 1598 Y HA 0.633 5.184 4.550 0.000 0.000 0.343 1598 Y C -0.146 175.673 175.900 -0.135 0.000 1.025 1598 Y CA -1.254 56.573 58.100 -0.455 0.000 1.082 1598 Y CB 0.843 38.849 38.460 -0.757 0.000 1.264 1598 Y HN 0.342 nan 8.280 nan 0.000 0.478 1599 I N 2.985 123.647 120.570 0.154 0.000 2.441 1599 I HA 0.319 4.489 4.170 0.001 0.000 0.295 1599 I C -0.207 176.039 176.117 0.215 0.000 0.994 1599 I CA -0.942 60.450 61.300 0.153 0.000 1.144 1599 I CB 1.653 39.691 38.000 0.062 0.000 1.314 1599 I HN 0.616 nan 8.210 nan 0.000 0.445 1600 I N 5.153 125.843 120.570 0.200 0.000 2.410 1600 I HA 0.254 4.424 4.170 0.001 0.000 0.288 1600 I C 1.107 177.311 176.117 0.145 0.000 1.106 1600 I CA -0.047 61.350 61.300 0.163 0.000 1.389 1600 I CB -0.026 38.031 38.000 0.096 0.000 1.561 1600 I HN 0.724 nan 8.210 nan 0.000 0.605 1601 G N 2.793 111.675 108.800 0.137 0.000 3.182 1601 G HA2 0.165 4.126 3.960 0.001 0.000 0.167 1601 G HA3 0.165 4.126 3.960 0.001 0.000 0.167 1601 G C 0.979 175.941 174.900 0.104 0.000 1.537 1601 G CA -0.257 44.904 45.100 0.102 0.000 1.046 1601 G HN 0.502 nan 8.290 nan 0.000 0.580 1602 K N -0.487 119.958 120.400 0.075 0.000 2.314 1602 K HA 0.163 4.484 4.320 0.001 0.000 0.198 1602 K C 0.561 177.217 176.600 0.094 0.000 1.045 1602 K CA 1.182 57.508 56.287 0.065 0.000 0.988 1602 K CB 0.184 32.698 32.500 0.023 0.000 0.783 1602 K HN 0.202 nan 8.250 nan 0.000 0.484 1603 D N 1.946 122.409 120.400 0.105 0.000 2.370 1603 D HA 0.010 4.650 4.640 0.001 0.000 0.230 1603 D C -0.663 175.734 176.300 0.161 0.000 1.143 1603 D CA 0.371 54.436 54.000 0.108 0.000 0.834 1603 D CB 0.638 41.496 40.800 0.098 0.000 0.944 1603 D HN 0.339 nan 8.370 nan 0.000 0.504 1604 T N -2.599 112.084 114.554 0.216 0.000 2.916 1604 T HA 0.402 4.752 4.350 0.001 0.000 0.298 1604 T C -1.388 173.553 174.700 0.402 0.000 1.031 1604 T CA -1.027 61.244 62.100 0.284 0.000 0.993 1604 T CB 1.675 70.680 68.868 0.230 0.000 1.045 1604 T HN 0.147 nan 8.240 nan 0.000 0.454 1605 W N 3.190 124.627 121.300 0.227 0.000 2.957 1605 W HA 0.590 5.250 4.660 0.000 0.000 0.336 1605 W C -2.294 174.323 176.519 0.163 0.000 1.087 1605 W CA -1.019 56.446 57.345 0.200 0.000 1.235 1605 W CB 1.839 31.411 29.460 0.186 0.000 1.399 1605 W HN 0.628 nan 8.180 nan 0.000 0.480 1606 V N 5.693 125.102 119.914 -0.840 0.000 2.394 1606 V HA 0.370 4.490 4.120 0.001 0.000 0.282 1606 V C -0.108 175.249 176.094 -1.228 0.000 1.031 1606 V CA -0.362 61.430 62.300 -0.847 0.000 0.881 1606 V CB 1.424 32.867 31.823 -0.633 0.000 0.982 1606 V HN 0.471 nan 8.190 nan 0.000 0.451 1607 E N 2.316 122.139 120.200 -0.629 0.000 2.293 1607 E HA 0.387 4.737 4.350 0.001 0.000 0.270 1607 E C -1.056 175.512 176.600 -0.053 0.000 0.879 1607 E CA -0.737 55.487 56.400 -0.293 0.000 0.756 1607 E CB 1.971 31.672 29.700 0.001 0.000 1.208 1607 E HN 0.707 nan 8.360 nan 0.000 0.428 1608 H N 1.495 120.566 119.070 0.001 0.000 2.629 1608 H HA 0.104 4.660 4.556 0.001 0.000 0.357 1608 H C -0.613 174.830 175.328 0.192 0.000 1.121 1608 H CA 0.388 56.480 56.048 0.074 0.000 1.406 1608 H CB 0.867 30.655 29.762 0.043 0.000 1.456 1608 H HN 0.429 nan 8.280 nan 0.000 0.579 1609 W N 5.921 127.222 121.300 0.002 0.000 1.987 1609 W HA 0.184 4.844 4.660 0.001 0.000 0.291 1609 W C -2.768 173.734 176.519 -0.029 0.000 1.044 1609 W CA -1.741 55.596 57.345 -0.013 0.000 0.924 1609 W CB 0.263 29.703 29.460 -0.033 0.000 0.806 1609 W HN 0.450 nan 8.180 nan 0.000 0.249 1610 P HA 0.128 nan 4.420 nan 0.000 0.338 1610 P C -0.280 176.896 177.300 -0.205 0.000 1.417 1610 P CA 0.032 63.071 63.100 -0.101 0.000 0.868 1610 P CB 0.432 32.116 31.700 -0.028 0.000 2.131 1611 E N -0.445 119.679 120.200 -0.126 0.000 2.392 1611 E HA -0.026 4.324 4.350 0.001 0.000 0.264 1611 E C 0.476 176.944 176.600 -0.219 0.000 1.024 1611 E CA 0.324 56.632 56.400 -0.153 0.000 0.903 1611 E CB 0.126 29.779 29.700 -0.078 0.000 0.963 1611 E HN 0.122 nan 8.360 nan 0.000 0.432 1612 E N 2.072 122.116 120.200 -0.260 0.000 2.478 1612 E HA -0.091 4.260 4.350 0.001 0.000 0.198 1612 E C 0.594 177.131 176.600 -0.105 0.000 1.046 1612 E CA 0.773 57.047 56.400 -0.209 0.000 0.870 1612 E CB 0.069 29.638 29.700 -0.220 0.000 0.818 1612 E HN 0.592 nan 8.360 nan 0.000 0.527 1613 D N 0.719 121.067 120.400 -0.087 0.000 2.224 1613 D HA -0.115 4.526 4.640 0.001 0.000 0.205 1613 D C 0.568 176.846 176.300 -0.036 0.000 0.965 1613 D CA 0.827 54.796 54.000 -0.051 0.000 0.852 1613 D CB 0.236 41.010 40.800 -0.045 0.000 0.947 1613 D HN 0.107 nan 8.370 nan 0.000 0.494 1614 E N -0.721 119.455 120.200 -0.040 0.000 2.511 1614 E HA 0.139 4.490 4.350 0.001 0.000 0.214 1614 E C 0.356 176.958 176.600 0.002 0.000 1.062 1614 E CA -0.284 56.105 56.400 -0.018 0.000 1.213 1614 E CB 0.197 29.887 29.700 -0.018 0.000 1.214 1614 E HN 0.303 nan 8.360 nan 0.000 0.441 1615 c N 0.234 118.839 118.600 0.008 0.000 2.697 1615 c HA 0.084 4.654 4.570 0.001 0.000 0.267 1615 c C 1.989 176.104 174.090 0.041 0.000 1.278 1615 c CA 0.062 56.420 56.329 0.048 0.000 1.708 1615 c CB -0.402 42.148 42.510 0.067 0.000 1.860 1615 c HN 0.530 nan 8.230 nan 0.000 0.589 1616 Q N 0.290 120.103 119.800 0.022 0.000 2.396 1616 Q HA 0.064 4.404 4.340 0.001 0.000 0.220 1616 Q C 0.307 176.317 176.000 0.015 0.000 0.900 1616 Q CA 0.240 56.054 55.803 0.018 0.000 0.925 1616 Q CB 0.225 28.969 28.738 0.010 0.000 1.065 1616 Q HN 0.518 nan 8.270 nan 0.000 0.535 1617 D N 1.794 122.201 120.400 0.012 0.000 2.424 1617 D HA -0.042 4.598 4.640 0.001 0.000 0.244 1617 D C -0.504 175.805 176.300 0.015 0.000 1.134 1617 D CA 0.168 54.174 54.000 0.010 0.000 0.881 1617 D CB 0.717 41.520 40.800 0.004 0.000 1.191 1617 D HN -0.035 nan 8.370 nan 0.000 0.445 1618 E N 3.271 123.479 120.200 0.012 0.000 1.858 1618 E HA 0.023 4.373 4.350 0.001 0.000 0.278 1618 E C 0.223 176.831 176.600 0.013 0.000 1.172 1618 E CA 0.308 56.716 56.400 0.014 0.000 1.127 1618 E CB 0.429 30.135 29.700 0.010 0.000 1.084 1618 E HN 0.527 nan 8.360 nan 0.000 0.455 1619 E N 0.662 120.874 120.200 0.021 0.000 2.926 1619 E HA -0.003 4.348 4.350 0.001 0.000 0.232 1619 E C 0.514 177.139 176.600 0.041 0.000 1.095 1619 E CA 0.072 56.485 56.400 0.021 0.000 1.755 1619 E CB 0.187 29.893 29.700 0.009 0.000 2.411 1619 E HN 0.220 nan 8.360 nan 0.000 1.046 1620 N N 1.324 120.058 118.700 0.057 0.000 2.322 1620 N HA 0.023 4.763 4.740 0.001 0.000 0.194 1620 N C 1.364 176.928 175.510 0.090 0.000 1.126 1620 N CA 0.019 53.128 53.050 0.097 0.000 0.845 1620 N CB 0.402 38.966 38.487 0.129 0.000 0.976 1620 N HN 0.077 nan 8.380 nan 0.000 0.475 1621 Q N 0.920 120.756 119.800 0.059 0.000 2.230 1621 Q HA 0.022 4.362 4.340 0.001 0.000 0.202 1621 Q C 0.424 176.451 176.000 0.045 0.000 0.963 1621 Q CA 0.974 56.807 55.803 0.050 0.000 0.866 1621 Q CB 0.330 29.088 28.738 0.034 0.000 0.931 1621 Q HN 0.191 nan 8.270 nan 0.000 0.452 1622 K N -0.288 120.136 120.400 0.041 0.000 2.861 1622 K HA 0.126 4.447 4.320 0.001 0.000 0.210 1622 K C 0.128 176.746 176.600 0.030 0.000 1.112 1622 K CA 0.005 56.310 56.287 0.030 0.000 1.076 1622 K CB 0.770 33.283 32.500 0.021 0.000 0.853 1622 K HN 0.119 nan 8.250 nan 0.000 0.463 1623 Q N -1.248 118.580 119.800 0.047 0.000 1.925 1623 Q HA 0.033 4.374 4.340 0.001 0.000 0.211 1623 Q C 1.492 177.513 176.000 0.036 0.000 0.698 1623 Q CA 0.093 55.920 55.803 0.041 0.000 0.840 1623 Q CB 0.426 29.214 28.738 0.084 0.000 1.218 1623 Q HN 0.374 nan 8.270 nan 0.000 0.432 1624 c N 0.479 119.166 118.600 0.145 0.000 2.525 1624 c HA 0.187 4.757 4.570 0.001 0.000 0.291 1624 c C 2.150 176.342 174.090 0.170 0.000 1.351 1624 c CA 0.565 57.086 56.329 0.320 0.000 1.771 1624 c CB -0.074 42.690 42.510 0.423 0.000 2.177 1624 c HN 0.503 nan 8.230 nan 0.000 0.510 1625 Q N 0.589 120.449 119.800 0.100 0.000 2.230 1625 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 1625 Q C 1.378 177.392 176.000 0.023 0.000 0.963 1625 Q CA 1.824 57.667 55.803 0.068 0.000 0.866 1625 Q CB -0.070 28.702 28.738 0.056 0.000 0.931 1625 Q HN 0.678 nan 8.270 nan 0.000 0.452 1626 D N 0.583 120.972 120.400 -0.019 0.000 2.117 1626 D HA -0.110 4.530 4.640 0.001 0.000 0.198 1626 D C 1.582 177.827 176.300 -0.091 0.000 0.982 1626 D CA 0.996 54.968 54.000 -0.048 0.000 0.828 1626 D CB 0.027 40.782 40.800 -0.074 0.000 0.967 1626 D HN 0.160 nan 8.370 nan 0.000 0.464 1627 L N -0.018 121.046 121.223 -0.265 0.000 2.341 1627 L HA 0.152 4.492 4.340 0.001 0.000 0.214 1627 L C 2.379 179.099 176.870 -0.251 0.000 1.115 1627 L CA 0.619 55.190 54.840 -0.449 0.000 0.820 1627 L CB -0.283 41.037 42.059 -1.232 0.000 0.944 1627 L HN 0.092 nan 8.230 nan 0.000 0.452 1628 G N -0.178 108.585 108.800 -0.061 0.000 2.443 1628 G HA2 -0.178 3.782 3.960 0.001 0.000 0.219 1628 G HA3 -0.178 3.782 3.960 0.001 0.000 0.219 1628 G C 1.524 176.471 174.900 0.079 0.000 1.131 1628 G CA 0.761 45.925 45.100 0.107 0.000 0.775 1628 G HN 0.437 nan 8.290 nan 0.000 0.547 1629 A N -0.696 122.163 122.820 0.066 0.000 2.308 1629 A HA 0.471 4.791 4.320 0.001 0.000 0.217 1629 A C 1.650 179.298 177.584 0.106 0.000 1.216 1629 A CA 0.051 52.133 52.037 0.075 0.000 0.864 1629 A CB -0.156 18.884 19.000 0.066 0.000 0.902 1629 A HN 0.303 nan 8.150 nan 0.000 0.499 1630 F N 0.713 120.628 119.950 -0.058 0.000 2.698 1630 F HA 0.038 4.566 4.527 0.001 0.000 0.295 1630 F C 2.085 177.864 175.800 -0.034 0.000 1.124 1630 F CA 1.614 59.583 58.000 -0.051 0.000 1.426 1630 F CB -0.022 38.922 39.000 -0.093 0.000 1.120 1630 F HN 0.185 nan 8.300 nan 0.000 0.583 1631 T N -0.334 114.220 114.554 0.000 0.000 2.746 1631 T HA -0.166 4.185 4.350 0.001 0.000 0.267 1631 T C 1.442 176.089 174.700 -0.088 0.000 1.039 1631 T CA 1.828 63.908 62.100 -0.033 0.000 1.142 1631 T CB -0.150 68.745 68.868 0.045 0.000 0.866 1631 T HN 0.141 nan 8.240 nan 0.000 0.444 1632 E N 0.898 121.063 120.200 -0.059 0.000 2.452 1632 E HA 0.098 4.449 4.350 0.001 0.000 0.197 1632 E C 2.219 178.803 176.600 -0.027 0.000 1.022 1632 E CA 0.198 56.578 56.400 -0.033 0.000 0.890 1632 E CB 0.039 29.745 29.700 0.009 0.000 0.918 1632 E HN 0.552 nan 8.360 nan 0.000 0.496 1633 S N -0.407 115.234 115.700 -0.098 0.000 2.522 1633 S HA 0.010 4.480 4.470 0.001 0.000 0.227 1633 S C 1.635 176.156 174.600 -0.132 0.000 0.986 1633 S CA 0.536 58.685 58.200 -0.084 0.000 0.929 1633 S CB 0.058 63.173 63.200 -0.142 0.000 0.769 1633 S HN 0.087 nan 8.310 nan 0.000 0.529 1634 M N 0.229 119.697 119.600 -0.220 0.000 2.571 1634 M HA 0.253 4.734 4.480 0.001 0.000 0.259 1634 M C 1.821 178.070 176.300 -0.085 0.000 1.205 1634 M CA 0.454 55.646 55.300 -0.180 0.000 1.138 1634 M CB -0.102 32.319 32.600 -0.299 0.000 1.329 1634 M HN 0.236 nan 8.290 nan 0.000 0.503 1635 V N 0.032 119.898 119.914 -0.080 0.000 2.302 1635 V HA -0.142 3.978 4.120 0.001 0.000 0.243 1635 V C 2.374 178.431 176.094 -0.062 0.000 1.036 1635 V CA 1.323 63.587 62.300 -0.059 0.000 1.020 1635 V CB -0.418 31.374 31.823 -0.052 0.000 0.657 1635 V HN 0.153 nan 8.190 nan 0.000 0.453 1636 V N -0.973 118.906 119.914 -0.059 0.000 2.283 1636 V HA -0.148 3.973 4.120 0.001 0.000 0.243 1636 V C 2.052 177.976 176.094 -0.284 0.000 1.039 1636 V CA 2.200 64.397 62.300 -0.172 0.000 1.016 1636 V CB -0.570 31.156 31.823 -0.162 0.000 0.650 1636 V HN 0.446 nan 8.190 nan 0.000 0.449 1637 F N -0.560 119.362 119.950 -0.046 0.000 2.383 1637 F HA 0.512 5.040 4.527 0.000 0.000 0.287 1637 F C 1.721 177.500 175.800 -0.035 0.000 1.069 1637 F CA 1.064 59.042 58.000 -0.036 0.000 1.402 1637 F CB -0.218 38.762 39.000 -0.034 0.000 1.116 1637 F HN 0.329 nan 8.300 nan 0.000 0.549 1638 G N -0.229 108.646 108.800 0.125 0.000 2.496 1638 G HA2 -0.311 3.649 3.960 0.001 0.000 0.243 1638 G HA3 -0.311 3.649 3.960 0.001 0.000 0.243 1638 G C -0.672 174.262 174.900 0.057 0.000 1.176 1638 G CA -0.524 44.609 45.100 0.054 0.000 0.940 1638 G HN 0.433 nan 8.290 nan 0.000 0.573 1639 C N 3.052 122.385 119.300 0.055 0.000 2.303 1639 C HA 0.691 5.151 4.460 0.001 0.000 0.341 1639 C C 0.382 175.403 174.990 0.053 0.000 1.244 1639 C CA -0.470 58.580 59.018 0.054 0.000 1.765 1639 C CB 0.367 28.140 27.740 0.055 0.000 2.379 1639 C HN 0.588 nan 8.230 nan 0.000 0.530 1640 P HA -0.087 nan 4.420 nan 0.000 0.216 1640 P C 0.461 177.778 177.300 0.029 0.000 1.150 1640 P CA 0.981 64.099 63.100 0.030 0.000 0.837 1640 P CB -0.035 31.671 31.700 0.011 0.000 0.786 1641 N N 0.000 118.718 118.700 0.029 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.001 0.000 0.220 1641 N CA 0.000 53.066 53.050 0.026 0.000 0.885 1641 N CB 0.000 38.503 38.487 0.027 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667