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 2qki_1_C 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 NcFIQXXXXX VTLEERLDKA cEPGVDYVYK TRLVKVQLSN DATA SEQUENCE DFDEYIMAIE QTIKSGSDEV QVGQQRTFIS PIKcREALKL EEKKHYLMWG DATA SEQUENCE LSSDFWGEKP NLSYIIGKDT WVEHWPEEDE cQDEENQKQc QDLGAFTESM DATA SEQUENCE VVFGcP 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 0.000 174.728 174.700 0.047 0.000 1.109 1335 T CA 0.000 62.124 62.100 0.040 0.000 1.349 1335 T CB 0.000 68.887 68.868 0.031 0.000 0.612 1336 c N 3.995 122.625 118.600 0.049 0.000 2.787 1336 c HA 0.327 4.898 4.570 0.001 0.000 0.265 1336 c C 1.372 175.489 174.090 0.045 0.000 1.190 1336 c CA -1.129 55.242 56.329 0.070 0.000 1.616 1336 c CB -1.664 40.897 42.510 0.085 0.000 1.732 1336 c HN 0.967 nan 8.230 nan 0.000 0.433 1337 N N 0.031 118.746 118.700 0.025 0.000 2.270 1337 N HA 0.041 4.781 4.740 0.001 0.000 0.198 1337 N C 1.075 176.538 175.510 -0.078 0.000 1.117 1337 N CA 0.185 53.223 53.050 -0.020 0.000 0.845 1337 N CB 0.187 38.665 38.487 -0.016 0.000 0.980 1337 N HN 0.329 nan 8.380 nan 0.000 0.486 1338 K N -0.622 119.743 120.400 -0.059 0.000 2.474 1338 K HA 0.277 4.597 4.320 0.001 0.000 0.204 1338 K C -0.804 175.533 176.600 -0.439 0.000 1.220 1338 K CA 0.206 56.354 56.287 -0.232 0.000 0.966 1338 K CB 0.805 33.285 32.500 -0.034 0.000 1.049 1338 K HN 0.119 nan 8.250 nan 0.000 0.554 1339 F N 0.986 120.900 119.950 -0.061 0.000 2.581 1339 F HA 0.269 4.797 4.527 0.001 0.000 0.311 1339 F C -0.318 175.478 175.800 -0.006 0.000 1.113 1339 F CA -1.152 56.846 58.000 -0.003 0.000 0.935 1339 F CB 1.867 40.906 39.000 0.066 0.000 1.232 1339 F HN -0.274 nan 8.300 nan 0.000 0.445 1340 D N 3.074 123.578 120.400 0.173 0.000 2.249 1340 D HA 0.420 5.061 4.640 0.001 0.000 0.246 1340 D C -1.201 175.185 176.300 0.142 0.000 1.114 1340 D CA -0.031 54.040 54.000 0.119 0.000 0.854 1340 D CB 1.914 42.754 40.800 0.066 0.000 1.132 1340 D HN 0.293 nan 8.370 nan 0.000 0.461 1341 L N 2.936 124.215 121.223 0.094 0.000 2.409 1341 L HA 0.413 4.754 4.340 0.001 0.000 0.272 1341 L C -1.019 175.871 176.870 0.032 0.000 0.980 1341 L CA -0.540 54.336 54.840 0.059 0.000 0.826 1341 L CB 1.602 43.679 42.059 0.029 0.000 1.268 1341 L HN 0.186 nan 8.230 nan 0.000 0.407 1342 K N 4.775 125.185 120.400 0.018 0.000 2.463 1342 K HA 0.730 5.051 4.320 0.001 0.000 0.255 1342 K C -2.096 174.490 176.600 -0.023 0.000 0.942 1342 K CA -0.594 55.696 56.287 0.004 0.000 0.814 1342 K CB 1.808 34.311 32.500 0.005 0.000 1.122 1342 K HN 0.488 nan 8.250 nan 0.000 0.425 1343 V N 3.600 123.500 119.914 -0.024 0.000 2.443 1343 V HA 0.360 4.481 4.120 0.001 0.000 0.293 1343 V C -0.462 175.588 176.094 -0.073 0.000 1.021 1343 V CA -0.720 61.537 62.300 -0.071 0.000 0.848 1343 V CB 1.514 33.316 31.823 -0.034 0.000 0.998 1343 V HN 0.954 nan 8.190 nan 0.000 0.424 1344 T N 2.500 116.969 114.554 -0.142 0.000 2.856 1344 T HA 0.832 5.182 4.350 0.001 0.000 0.283 1344 T C -0.807 173.756 174.700 -0.228 0.000 1.008 1344 T CA -0.655 61.368 62.100 -0.127 0.000 0.997 1344 T CB 2.233 71.045 68.868 -0.093 0.000 0.992 1344 T HN 0.441 nan 8.240 nan 0.000 0.454 1345 I N 1.644 122.112 120.570 -0.171 0.000 2.439 1345 I HA 0.692 4.863 4.170 0.001 0.000 0.285 1345 I C -1.181 174.856 176.117 -0.134 0.000 1.021 1345 I CA -0.519 60.654 61.300 -0.212 0.000 1.091 1345 I CB 1.357 39.249 38.000 -0.180 0.000 1.242 1345 I HN 0.593 nan 8.210 nan 0.000 0.439 1346 K N 7.678 127.995 120.400 -0.138 0.000 2.385 1346 K HA 0.694 5.015 4.320 0.001 0.000 0.248 1346 K C -2.713 173.842 176.600 -0.075 0.000 0.955 1346 K CA -1.889 54.345 56.287 -0.089 0.000 0.816 1346 K CB 1.643 34.099 32.500 -0.072 0.000 1.250 1346 K HN 0.217 nan 8.250 nan 0.000 0.434 1347 P HA 0.101 nan 4.420 nan 0.000 0.271 1347 P C -1.116 176.178 177.300 -0.011 0.000 1.216 1347 P CA -0.403 62.688 63.100 -0.015 0.000 0.776 1347 P CB 0.753 32.453 31.700 0.001 0.000 0.881 1348 A N 4.789 127.613 122.820 0.006 0.000 2.524 1348 A HA 0.375 4.695 4.320 0.001 0.000 0.250 1348 A C -1.434 176.157 177.584 0.013 0.000 1.078 1348 A CA -0.393 51.650 52.037 0.010 0.000 0.761 1348 A CB -1.359 17.662 19.000 0.034 0.000 1.012 1348 A HN 0.451 nan 8.150 nan 0.000 0.500 1360 N N 1.721 120.464 118.700 0.070 0.000 2.471 1360 N HA -0.111 4.630 4.740 0.001 0.000 0.286 1360 N C -1.637 173.995 175.510 0.203 0.000 1.327 1360 N CA 1.227 54.346 53.050 0.116 0.000 0.657 1360 N CB -0.187 38.347 38.487 0.080 0.000 0.901 1360 N HN 0.122 nan 8.380 nan 0.000 0.531 1361 T N 3.793 118.475 114.554 0.212 0.000 2.879 1361 T HA 0.629 4.980 4.350 0.001 0.000 0.290 1361 T C 0.173 174.961 174.700 0.146 0.000 0.993 1361 T CA -0.399 61.849 62.100 0.245 0.000 0.975 1361 T CB 1.624 70.667 68.868 0.292 0.000 0.981 1361 T HN 0.269 nan 8.240 nan 0.000 0.439 1362 M N 2.544 122.208 119.600 0.107 0.000 2.727 1362 M HA 0.631 5.111 4.480 0.001 0.000 0.300 1362 M C -1.070 175.180 176.300 -0.082 0.000 1.246 1362 M CA -0.997 54.301 55.300 -0.004 0.000 0.835 1362 M CB 2.351 34.915 32.600 -0.060 0.000 1.755 1362 M HN 0.375 nan 8.290 nan 0.000 0.473 1363 I N 1.995 122.487 120.570 -0.131 0.000 2.389 1363 I HA 0.329 4.499 4.170 0.001 0.000 0.288 1363 I C -1.284 174.649 176.117 -0.307 0.000 0.999 1363 I CA -0.841 60.344 61.300 -0.191 0.000 1.129 1363 I CB 1.866 39.789 38.000 -0.128 0.000 1.288 1363 I HN 0.418 nan 8.210 nan 0.000 0.444 1364 L N 7.710 128.636 121.223 -0.496 0.000 2.276 1364 L HA 0.422 4.763 4.340 0.001 0.000 0.286 1364 L C -0.225 176.278 176.870 -0.612 0.000 1.061 1364 L CA 0.316 54.752 54.840 -0.673 0.000 0.807 1364 L CB 0.977 42.451 42.059 -0.975 0.000 1.177 1364 L HN 0.587 nan 8.230 nan 0.000 0.429 1365 E N 5.607 125.549 120.200 -0.430 0.000 2.199 1365 E HA 0.487 4.838 4.350 0.001 0.000 0.265 1365 E C -1.540 174.919 176.600 -0.235 0.000 0.882 1365 E CA -0.607 55.627 56.400 -0.276 0.000 0.759 1365 E CB 1.228 30.822 29.700 -0.178 0.000 1.148 1365 E HN 0.688 nan 8.360 nan 0.000 0.412 1366 I N 4.220 124.694 120.570 -0.160 0.000 2.418 1366 I HA 0.361 4.532 4.170 0.001 0.000 0.287 1366 I C -0.875 175.217 176.117 -0.042 0.000 1.008 1366 I CA -0.739 60.501 61.300 -0.100 0.000 1.104 1366 I CB 1.680 39.638 38.000 -0.070 0.000 1.264 1366 I HN 0.523 nan 8.210 nan 0.000 0.438 1367 c N 3.816 122.401 118.600 -0.026 0.000 2.441 1367 c HA 0.751 5.322 4.570 0.001 0.000 0.318 1367 c C 0.281 174.389 174.090 0.031 0.000 1.222 1367 c CA -0.444 55.887 56.329 0.004 0.000 1.474 1367 c CB 1.554 44.063 42.510 -0.001 0.000 2.125 1367 c HN 0.770 nan 8.230 nan 0.000 0.479 1368 T N 3.184 117.775 114.554 0.061 0.000 2.900 1368 T HA 0.644 4.995 4.350 0.001 0.000 0.295 1368 T C -1.175 173.619 174.700 0.157 0.000 1.044 1368 T CA -0.457 61.713 62.100 0.117 0.000 0.995 1368 T CB 0.893 69.834 68.868 0.123 0.000 1.072 1368 T HN 0.668 nan 8.240 nan 0.000 0.473 1369 R N 2.849 123.472 120.500 0.205 0.000 2.538 1369 R HA 0.273 4.614 4.340 0.001 0.000 0.292 1369 R C -1.750 174.661 176.300 0.186 0.000 1.008 1369 R CA -0.678 55.524 56.100 0.169 0.000 0.896 1369 R CB 1.313 31.666 30.300 0.089 0.000 1.187 1369 R HN 0.751 nan 8.270 nan 0.000 0.440 1370 Y N 3.210 123.509 120.300 -0.001 0.000 2.402 1370 Y HA 0.166 4.717 4.550 0.001 0.000 0.333 1370 Y C 0.459 176.255 175.900 -0.172 0.000 1.076 1370 Y CA 0.162 58.094 58.100 -0.280 0.000 1.299 1370 Y CB 0.666 38.981 38.460 -0.241 0.000 1.197 1370 Y HN 0.395 nan 8.280 nan 0.000 0.517 1371 R N 4.844 124.840 120.500 -0.840 0.000 4.306 1371 R HA 0.344 4.684 4.340 0.001 0.000 0.266 1371 R C 0.042 175.944 176.300 -0.663 0.000 1.624 1371 R CA 0.006 55.785 56.100 -0.534 0.000 1.487 1371 R CB -0.110 29.991 30.300 -0.332 0.000 1.441 1371 R HN 0.836 nan 8.270 nan 0.000 0.750 1372 G N -0.562 107.840 108.800 -0.663 0.000 3.022 1372 G HA2 0.124 4.085 3.960 0.001 0.000 0.284 1372 G HA3 0.124 4.085 3.960 0.001 0.000 0.284 1372 G C -0.420 174.417 174.900 -0.106 0.000 1.375 1372 G CA -0.548 44.355 45.100 -0.329 0.000 0.902 1372 G HN 0.007 nan 8.290 nan 0.000 0.538 1373 D N -0.455 119.898 120.400 -0.078 0.000 2.097 1373 D HA 0.095 4.735 4.640 0.001 0.000 0.197 1373 D C 1.185 177.237 176.300 -0.415 0.000 0.984 1373 D CA 1.248 55.142 54.000 -0.177 0.000 0.826 1373 D CB 0.164 40.908 40.800 -0.093 0.000 0.973 1373 D HN 0.228 nan 8.370 nan 0.000 0.460 1374 Q N 0.093 119.765 119.800 -0.213 0.000 2.527 1374 Q HA 0.320 4.660 4.340 0.001 0.000 0.220 1374 Q C -0.805 175.189 176.000 -0.011 0.000 1.014 1374 Q CA -0.620 55.054 55.803 -0.214 0.000 0.978 1374 Q CB 0.754 29.454 28.738 -0.062 0.000 1.245 1374 Q HN -0.084 nan 8.270 nan 0.000 0.513 1375 D N 0.253 120.708 120.400 0.092 0.000 2.362 1375 D HA 0.359 5.000 4.640 0.001 0.000 0.242 1375 D C -0.769 175.396 176.300 -0.225 0.000 1.132 1375 D CA 0.023 54.064 54.000 0.068 0.000 0.907 1375 D CB 0.599 41.452 40.800 0.088 0.000 1.195 1375 D HN 0.540 nan 8.370 nan 0.000 0.429 1376 A N 1.217 123.712 122.820 -0.542 0.000 2.401 1376 A HA 0.443 4.764 4.320 0.001 0.000 0.259 1376 A C 1.045 178.546 177.584 -0.139 0.000 1.103 1376 A CA -0.440 51.215 52.037 -0.637 0.000 0.789 1376 A CB 0.026 18.534 19.000 -0.820 0.000 1.035 1376 A HN 0.603 nan 8.150 nan 0.000 0.491 1377 T N 0.939 115.502 114.554 0.014 0.000 3.141 1377 T HA 0.338 4.688 4.350 0.001 0.000 0.391 1377 T C 0.786 175.585 174.700 0.166 0.000 1.170 1377 T CA -0.258 61.912 62.100 0.118 0.000 1.054 1377 T CB -0.205 68.783 68.868 0.200 0.000 1.487 1377 T HN 0.530 nan 8.240 nan 0.000 0.530 1378 M N 1.659 121.377 119.600 0.197 0.000 2.261 1378 M HA 0.169 4.650 4.480 0.001 0.000 0.350 1378 M C -0.177 176.262 176.300 0.231 0.000 1.343 1378 M CA 0.536 55.936 55.300 0.166 0.000 1.003 1378 M CB -0.140 32.488 32.600 0.046 0.000 1.848 1378 M HN 0.596 nan 8.290 nan 0.000 0.456 1379 S N 3.086 118.865 115.700 0.132 0.000 2.627 1379 S HA 0.792 5.262 4.470 0.001 0.000 0.283 1379 S C -0.962 173.572 174.600 -0.109 0.000 1.127 1379 S CA -0.789 57.420 58.200 0.015 0.000 0.863 1379 S CB 1.746 64.972 63.200 0.043 0.000 1.121 1379 S HN 0.482 nan 8.310 nan 0.000 0.479 1380 I N 1.436 121.752 120.570 -0.425 0.000 2.465 1380 I HA 0.434 4.605 4.170 0.001 0.000 0.291 1380 I C -1.121 174.651 176.117 -0.575 0.000 1.014 1380 I CA -0.193 60.754 61.300 -0.587 0.000 1.093 1380 I CB 1.473 38.932 38.000 -0.901 0.000 1.267 1380 I HN 0.399 nan 8.210 nan 0.000 0.431 1381 L N 5.247 126.228 121.223 -0.403 0.000 2.277 1381 L HA 0.398 4.739 4.340 0.001 0.000 0.284 1381 L C -0.746 175.984 176.870 -0.234 0.000 1.028 1381 L CA -0.470 54.205 54.840 -0.275 0.000 0.835 1381 L CB 0.979 42.937 42.059 -0.169 0.000 1.215 1381 L HN 0.505 nan 8.230 nan 0.000 0.425 1382 D N 4.942 125.248 120.400 -0.156 0.000 2.359 1382 D HA 0.449 5.090 4.640 0.001 0.000 0.230 1382 D C -0.642 175.643 176.300 -0.025 0.000 1.118 1382 D CA -0.035 53.923 54.000 -0.070 0.000 0.844 1382 D CB 0.767 41.589 40.800 0.036 0.000 1.059 1382 D HN 0.247 nan 8.370 nan 0.000 0.493 1383 I N 2.725 123.293 120.570 -0.002 0.000 2.436 1383 I HA 0.269 4.439 4.170 0.001 0.000 0.289 1383 I C 0.109 176.277 176.117 0.085 0.000 1.010 1383 I CA -0.858 60.485 61.300 0.071 0.000 1.098 1383 I CB 1.849 39.929 38.000 0.134 0.000 1.266 1383 I HN 0.312 nan 8.210 nan 0.000 0.434 1384 S N 6.789 122.545 115.700 0.094 0.000 2.549 1384 S HA 0.689 5.160 4.470 0.001 0.000 0.297 1384 S C -0.311 174.359 174.600 0.116 0.000 1.115 1384 S CA -0.959 57.290 58.200 0.081 0.000 1.059 1384 S CB 1.685 64.909 63.200 0.040 0.000 1.046 1384 S HN 0.399 nan 8.310 nan 0.000 0.506 1385 M N 2.356 122.028 119.600 0.121 0.000 2.291 1385 M HA 0.376 4.857 4.480 0.001 0.000 0.324 1385 M C 0.178 176.520 176.300 0.069 0.000 1.148 1385 M CA -0.271 55.127 55.300 0.164 0.000 1.104 1385 M CB 0.806 33.529 32.600 0.205 0.000 1.483 1385 M HN 0.717 nan 8.290 nan 0.000 0.467 1386 M N 0.828 120.460 119.600 0.052 0.000 2.243 1386 M HA 0.117 4.598 4.480 0.001 0.000 0.341 1386 M C 0.326 176.754 176.300 0.214 0.000 1.130 1386 M CA 0.008 55.318 55.300 0.016 0.000 1.162 1386 M CB -0.172 32.316 32.600 -0.187 0.000 1.497 1386 M HN 0.588 nan 8.290 nan 0.000 0.456 1387 T N 2.360 117.001 114.554 0.144 0.000 2.800 1387 T HA 0.146 4.496 4.350 0.001 0.000 0.283 1387 T C 1.206 175.966 174.700 0.101 0.000 0.999 1387 T CA 1.096 63.252 62.100 0.094 0.000 1.176 1387 T CB -0.276 68.612 68.868 0.033 0.000 0.973 1387 T HN 1.051 nan 8.240 nan 0.000 0.519 1388 G N 2.256 111.010 108.800 -0.077 0.000 2.136 1388 G HA2 -0.231 3.730 3.960 0.001 0.000 0.242 1388 G HA3 -0.231 3.730 3.960 0.001 0.000 0.242 1388 G C -0.095 174.415 174.900 -0.650 0.000 0.989 1388 G CA -0.459 44.342 45.100 -0.498 0.000 0.682 1388 G HN 0.641 nan 8.290 nan 0.000 0.522 1389 F N 0.724 120.652 119.950 -0.037 0.000 2.469 1389 F HA 0.754 5.282 4.527 0.001 0.000 0.332 1389 F C 0.438 176.402 175.800 0.274 0.000 1.103 1389 F CA -0.109 57.982 58.000 0.152 0.000 0.979 1389 F CB 2.377 41.438 39.000 0.102 0.000 1.137 1389 F HN 0.384 nan 8.300 nan 0.000 0.463 1390 A N 4.321 127.352 122.820 0.352 0.000 2.422 1390 A HA 0.788 5.109 4.320 0.001 0.000 0.302 1390 A C -2.943 174.634 177.584 -0.013 0.000 1.041 1390 A CA -1.862 50.090 52.037 -0.143 0.000 0.708 1390 A CB 1.655 19.992 19.000 -1.105 0.000 1.257 1390 A HN 0.352 nan 8.150 nan 0.000 0.414 1391 P HA 0.100 nan 4.420 nan 0.000 0.272 1391 P C -0.805 176.702 177.300 0.346 0.000 1.223 1391 P CA -0.066 63.180 63.100 0.245 0.000 0.784 1391 P CB 0.650 32.456 31.700 0.177 0.000 0.923 1392 D N 0.797 121.408 120.400 0.351 0.000 2.425 1392 D HA 0.001 4.642 4.640 0.001 0.000 0.247 1392 D C 1.389 177.832 176.300 0.237 0.000 1.147 1392 D CA 0.416 54.656 54.000 0.400 0.000 0.879 1392 D CB 0.910 41.901 40.800 0.319 0.000 1.179 1392 D HN 0.336 nan 8.370 nan 0.000 0.456 1393 T N 0.404 115.099 114.554 0.235 0.000 2.821 1393 T HA -0.148 4.203 4.350 0.001 0.000 0.267 1393 T C 1.207 175.943 174.700 0.059 0.000 1.046 1393 T CA 0.747 62.918 62.100 0.118 0.000 1.139 1393 T CB 0.141 69.077 68.868 0.113 0.000 0.871 1393 T HN 0.275 nan 8.240 nan 0.000 0.454 1394 D N 1.305 121.749 120.400 0.073 0.000 2.234 1394 D HA -0.017 4.623 4.640 0.001 0.000 0.205 1394 D C 1.748 178.075 176.300 0.046 0.000 0.962 1394 D CA 0.607 54.636 54.000 0.047 0.000 0.855 1394 D CB -0.222 40.606 40.800 0.046 0.000 0.951 1394 D HN 0.354 nan 8.370 nan 0.000 0.500 1395 D N 0.301 120.744 120.400 0.071 0.000 2.117 1395 D HA -0.053 4.588 4.640 0.001 0.000 0.198 1395 D C 2.376 178.680 176.300 0.008 0.000 0.982 1395 D CA 0.362 54.404 54.000 0.071 0.000 0.828 1395 D CB -0.097 40.787 40.800 0.140 0.000 0.967 1395 D HN 0.236 nan 8.370 nan 0.000 0.464 1396 L N 0.602 121.788 121.223 -0.061 0.000 2.083 1396 L HA -0.148 4.193 4.340 0.001 0.000 0.209 1396 L C 2.350 179.166 176.870 -0.090 0.000 1.083 1396 L CA 1.083 55.827 54.840 -0.160 0.000 0.752 1396 L CB -0.305 41.628 42.059 -0.210 0.000 0.899 1396 L HN -0.050 nan 8.230 nan 0.000 0.433 1397 K N -0.606 119.768 120.400 -0.043 0.000 2.211 1397 K HA -0.167 4.154 4.320 0.001 0.000 0.203 1397 K C 2.274 178.869 176.600 -0.009 0.000 1.050 1397 K CA 0.834 57.107 56.287 -0.024 0.000 0.945 1397 K CB -0.002 32.494 32.500 -0.007 0.000 0.732 1397 K HN 0.256 nan 8.250 nan 0.000 0.451 1398 Q N 0.705 120.506 119.800 0.001 0.000 2.046 1398 Q HA -0.054 4.286 4.340 0.001 0.000 0.200 1398 Q C 2.189 178.195 176.000 0.009 0.000 0.975 1398 Q CA 1.215 57.025 55.803 0.012 0.000 0.836 1398 Q CB -0.113 28.641 28.738 0.026 0.000 0.896 1398 Q HN 0.343 nan 8.270 nan 0.000 0.428 1399 L N -0.104 121.117 121.223 -0.002 0.000 2.046 1399 L HA -0.143 4.197 4.340 0.001 0.000 0.208 1399 L C 2.457 179.320 176.870 -0.011 0.000 1.077 1399 L CA 1.092 55.928 54.840 -0.005 0.000 0.747 1399 L CB -0.717 41.325 42.059 -0.029 0.000 0.896 1399 L HN 0.090 nan 8.230 nan 0.000 0.432 1400 A N 0.145 122.946 122.820 -0.032 0.000 1.902 1400 A HA -0.202 4.119 4.320 0.001 0.000 0.217 1400 A C 1.915 179.510 177.584 0.018 0.000 1.181 1400 A CA 1.735 53.758 52.037 -0.023 0.000 0.623 1400 A CB -0.663 18.305 19.000 -0.054 0.000 0.818 1400 A HN 0.513 nan 8.150 nan 0.000 0.443 1401 N N 0.007 118.716 118.700 0.015 0.000 2.449 1401 N HA 0.054 4.795 4.740 0.001 0.000 0.191 1401 N C 0.643 176.170 175.510 0.028 0.000 1.161 1401 N CA 0.130 53.195 53.050 0.026 0.000 0.863 1401 N CB 0.090 38.589 38.487 0.020 0.000 0.980 1401 N HN 0.440 nan 8.380 nan 0.000 0.458 1402 G N 0.821 109.638 108.800 0.029 0.000 2.390 1402 G HA2 0.283 4.243 3.960 0.001 0.000 0.270 1402 G HA3 0.283 4.243 3.960 0.001 0.000 0.270 1402 G C 0.334 175.257 174.900 0.039 0.000 1.211 1402 G CA -0.390 44.728 45.100 0.031 0.000 0.842 1402 G HN -0.078 nan 8.290 nan 0.000 0.519 1403 V N 3.002 122.936 119.914 0.034 0.000 2.617 1403 V HA 0.055 4.175 4.120 0.001 0.000 0.304 1403 V C 0.716 176.835 176.094 0.041 0.000 1.040 1403 V CA 0.757 63.078 62.300 0.034 0.000 1.149 1403 V CB 0.620 32.459 31.823 0.026 0.000 0.914 1403 V HN 0.958 nan 8.190 nan 0.000 0.487 1404 D N 1.684 122.112 120.400 0.046 0.000 3.090 1404 D HA -0.146 4.495 4.640 0.001 0.000 0.215 1404 D C 0.316 176.661 176.300 0.075 0.000 1.140 1404 D CA 1.112 55.143 54.000 0.053 0.000 0.937 1404 D CB -0.637 40.189 40.800 0.044 0.000 1.108 1404 D HN 0.749 nan 8.370 nan 0.000 0.420 1405 R N -0.371 120.182 120.500 0.088 0.000 2.803 1405 R HA 0.641 4.981 4.340 0.001 0.000 0.276 1405 R C -0.947 175.468 176.300 0.191 0.000 0.978 1405 R CA -0.826 55.342 56.100 0.113 0.000 0.939 1405 R CB 2.183 32.522 30.300 0.064 0.000 1.179 1405 R HN 0.073 nan 8.270 nan 0.000 0.472 1406 Y N 2.412 122.758 120.300 0.077 0.000 2.386 1406 Y HA 0.510 5.060 4.550 0.001 0.000 0.334 1406 Y C -1.413 174.572 175.900 0.141 0.000 1.002 1406 Y CA -0.882 57.274 58.100 0.093 0.000 1.068 1406 Y CB 1.224 39.728 38.460 0.075 0.000 1.203 1406 Y HN 0.486 nan 8.280 nan 0.000 0.443 1407 I N 6.300 126.574 120.570 -0.493 0.000 2.448 1407 I HA 0.261 4.431 4.170 0.001 0.000 0.281 1407 I C -0.157 175.547 176.117 -0.688 0.000 1.027 1407 I CA -0.904 60.097 61.300 -0.499 0.000 1.111 1407 I CB 1.710 39.562 38.000 -0.248 0.000 1.236 1407 I HN 0.739 nan 8.210 nan 0.000 0.452 1408 S N 4.371 119.592 115.700 -0.799 0.000 2.554 1408 S HA -0.039 4.432 4.470 0.001 0.000 0.290 1408 S C 1.049 175.590 174.600 -0.099 0.000 1.309 1408 S CA -0.168 57.807 58.200 -0.375 0.000 1.047 1408 S CB 1.134 64.309 63.200 -0.041 0.000 0.828 1408 S HN 0.785 nan 8.310 nan 0.000 0.509 1409 K N 0.915 121.328 120.400 0.021 0.000 2.211 1409 K HA -0.124 4.197 4.320 0.001 0.000 0.203 1409 K C 1.771 178.405 176.600 0.057 0.000 1.050 1409 K CA 1.017 57.325 56.287 0.034 0.000 0.945 1409 K CB -0.352 32.180 32.500 0.053 0.000 0.732 1409 K HN 0.786 nan 8.250 nan 0.000 0.451 1410 Y N 1.646 121.938 120.300 -0.013 0.000 2.139 1410 Y HA -0.338 4.212 4.550 0.001 0.000 0.282 1410 Y C 2.122 178.007 175.900 -0.026 0.000 1.179 1410 Y CA 2.253 60.348 58.100 -0.008 0.000 1.161 1410 Y CB -0.042 38.423 38.460 0.008 0.000 0.970 1410 Y HN 0.173 nan 8.280 nan 0.000 0.511 1411 E N 0.008 120.280 120.200 0.121 0.000 2.072 1411 E HA -0.136 4.214 4.350 0.001 0.000 0.190 1411 E C 2.093 178.655 176.600 -0.063 0.000 0.982 1411 E CA 1.499 57.910 56.400 0.018 0.000 0.803 1411 E CB -0.418 29.278 29.700 -0.007 0.000 0.755 1411 E HN 0.579 nan 8.360 nan 0.000 0.453 1412 L N 0.676 121.863 121.223 -0.059 0.000 2.072 1412 L HA -0.101 4.239 4.340 0.001 0.000 0.205 1412 L C 1.287 178.126 176.870 -0.052 0.000 1.079 1412 L CA 1.323 56.127 54.840 -0.059 0.000 0.752 1412 L CB -0.406 41.622 42.059 -0.052 0.000 0.906 1412 L HN 0.222 nan 8.230 nan 0.000 0.436 1413 D N -0.728 119.634 120.400 -0.063 0.000 2.352 1413 D HA -0.024 4.617 4.640 0.001 0.000 0.236 1413 D C 0.417 176.659 176.300 -0.097 0.000 1.148 1413 D CA -0.053 53.908 54.000 -0.064 0.000 0.844 1413 D CB -0.240 40.529 40.800 -0.053 0.000 0.933 1413 D HN 0.062 nan 8.370 nan 0.000 0.507 1414 K N 0.385 120.715 120.400 -0.117 0.000 2.355 1414 K HA 0.348 4.669 4.320 0.001 0.000 0.270 1414 K C 0.105 176.665 176.600 -0.066 0.000 1.003 1414 K CA -0.374 55.833 56.287 -0.132 0.000 0.957 1414 K CB 0.875 33.292 32.500 -0.138 0.000 0.939 1414 K HN 0.187 nan 8.250 nan 0.000 0.482 1415 A N 3.733 126.515 122.820 -0.065 0.000 2.476 1415 A HA -0.014 4.306 4.320 0.001 0.000 0.275 1415 A C 0.984 178.566 177.584 -0.004 0.000 1.133 1415 A CA -0.098 51.928 52.037 -0.018 0.000 0.797 1415 A CB -0.544 18.438 19.000 -0.030 0.000 1.081 1415 A HN 0.876 nan 8.150 nan 0.000 0.510 1416 F N 3.411 123.300 119.950 -0.103 0.000 2.076 1416 F HA -0.391 4.137 4.527 0.001 0.000 0.285 1416 F C 2.163 177.842 175.800 -0.201 0.000 1.083 1416 F CA 2.988 60.922 58.000 -0.109 0.000 1.294 1416 F CB -0.343 38.604 39.000 -0.088 0.000 0.947 1416 F HN 0.446 nan 8.300 nan 0.000 0.501 1417 S N -0.625 114.898 115.700 -0.295 0.000 2.522 1417 S HA -0.068 4.402 4.470 0.001 0.000 0.227 1417 S C 0.832 175.178 174.600 -0.422 0.000 0.986 1417 S CA 0.758 58.538 58.200 -0.701 0.000 0.929 1417 S CB -0.250 62.611 63.200 -0.566 0.000 0.769 1417 S HN 0.468 nan 8.310 nan 0.000 0.529 1418 D N 1.322 121.586 120.400 -0.226 0.000 2.336 1418 D HA 0.090 4.731 4.640 0.001 0.000 0.228 1418 D C 0.374 176.615 176.300 -0.099 0.000 1.120 1418 D CA 0.138 54.068 54.000 -0.117 0.000 0.839 1418 D CB 0.097 40.851 40.800 -0.076 0.000 0.932 1418 D HN 0.194 nan 8.370 nan 0.000 0.509 1419 R N 1.497 121.905 120.500 -0.154 0.000 3.256 1419 R HA 0.119 4.459 4.340 0.001 0.000 0.263 1419 R C 0.390 176.668 176.300 -0.037 0.000 1.388 1419 R CA -0.200 55.838 56.100 -0.103 0.000 1.580 1419 R CB 0.183 30.390 30.300 -0.154 0.000 1.255 1419 R HN 0.028 nan 8.270 nan 0.000 0.640 1420 N N -0.460 118.248 118.700 0.013 0.000 2.463 1420 N HA -0.076 4.664 4.740 0.001 0.000 0.181 1420 N C 0.411 175.955 175.510 0.056 0.000 1.078 1420 N CA 0.333 53.418 53.050 0.058 0.000 0.902 1420 N CB 0.391 38.917 38.487 0.064 0.000 0.970 1420 N HN 0.291 nan 8.380 nan 0.000 0.451 1421 T N -1.784 112.791 114.554 0.036 0.000 2.916 1421 T HA 0.657 5.008 4.350 0.001 0.000 0.305 1421 T C -0.785 173.922 174.700 0.011 0.000 1.119 1421 T CA -1.101 61.019 62.100 0.034 0.000 1.008 1421 T CB 1.733 70.620 68.868 0.032 0.000 1.129 1421 T HN 0.237 nan 8.240 nan 0.000 0.480 1422 L N 0.335 121.554 121.223 -0.006 0.000 2.465 1422 L HA 0.870 5.211 4.340 0.001 0.000 0.257 1422 L C -1.859 174.951 176.870 -0.099 0.000 0.988 1422 L CA -1.528 53.280 54.840 -0.054 0.000 0.827 1422 L CB 1.778 43.778 42.059 -0.099 0.000 1.397 1422 L HN 0.742 nan 8.230 nan 0.000 0.410 1423 I N 2.590 123.064 120.570 -0.161 0.000 2.377 1423 I HA 0.466 4.637 4.170 0.001 0.000 0.293 1423 I C -0.533 175.354 176.117 -0.384 0.000 0.987 1423 I CA -0.431 60.676 61.300 -0.322 0.000 1.185 1423 I CB 1.942 39.653 38.000 -0.481 0.000 1.341 1423 I HN 0.468 nan 8.210 nan 0.000 0.455 1424 I N 6.135 126.474 120.570 -0.385 0.000 2.362 1424 I HA 0.282 4.452 4.170 0.001 0.000 0.289 1424 I C -1.004 174.908 176.117 -0.341 0.000 0.994 1424 I CA -0.679 60.447 61.300 -0.290 0.000 1.158 1424 I CB 0.992 38.891 38.000 -0.168 0.000 1.315 1424 I HN 0.375 nan 8.210 nan 0.000 0.451 1425 Y N 6.454 126.742 120.300 -0.021 0.000 2.327 1425 Y HA 0.455 5.006 4.550 0.001 0.000 0.336 1425 Y C -0.007 175.918 175.900 0.043 0.000 1.035 1425 Y CA -0.380 57.744 58.100 0.040 0.000 1.165 1425 Y CB 0.882 39.461 38.460 0.198 0.000 1.181 1425 Y HN 0.320 nan 8.280 nan 0.000 0.494 1426 L N 3.748 125.058 121.223 0.144 0.000 2.307 1426 L HA 0.353 4.694 4.340 0.001 0.000 0.284 1426 L C 0.226 177.161 176.870 0.110 0.000 1.023 1426 L CA -0.664 54.238 54.840 0.103 0.000 0.810 1426 L CB 1.458 43.551 42.059 0.058 0.000 1.231 1426 L HN 0.594 nan 8.230 nan 0.000 0.423 1427 D N 1.697 122.151 120.400 0.089 0.000 2.269 1427 D HA -0.044 4.596 4.640 0.001 0.000 0.208 1427 D C 0.188 176.522 176.300 0.057 0.000 0.963 1427 D CA 1.119 55.154 54.000 0.059 0.000 0.864 1427 D CB 0.214 41.037 40.800 0.038 0.000 0.936 1427 D HN 0.545 nan 8.370 nan 0.000 0.505 1428 K N -2.018 118.421 120.400 0.065 0.000 2.625 1428 K HA 0.521 4.842 4.320 0.001 0.000 0.284 1428 K C -1.749 174.898 176.600 0.080 0.000 0.984 1428 K CA -0.916 55.407 56.287 0.060 0.000 0.865 1428 K CB 1.590 34.118 32.500 0.047 0.000 1.468 1428 K HN -0.267 nan 8.250 nan 0.000 0.407 1429 V N 1.203 121.168 119.914 0.085 0.000 2.483 1429 V HA 0.354 4.474 4.120 0.001 0.000 0.297 1429 V C -0.222 175.955 176.094 0.138 0.000 1.027 1429 V CA -0.785 61.603 62.300 0.146 0.000 0.855 1429 V CB 1.544 33.545 31.823 0.297 0.000 0.995 1429 V HN 0.871 nan 8.190 nan 0.000 0.424 1430 S N 2.362 118.137 115.700 0.124 0.000 2.562 1430 S HA 0.096 4.567 4.470 0.001 0.000 0.281 1430 S C 1.064 175.754 174.600 0.151 0.000 1.333 1430 S CA 0.350 58.610 58.200 0.100 0.000 1.052 1430 S CB 0.261 63.478 63.200 0.029 0.000 0.884 1430 S HN 1.040 nan 8.310 nan 0.000 0.506 1431 H N 1.778 120.911 119.070 0.105 0.000 2.592 1431 H HA 0.423 4.979 4.556 0.001 0.000 0.265 1431 H C 1.460 176.819 175.328 0.052 0.000 0.955 1431 H CA 0.725 56.834 56.048 0.102 0.000 1.175 1431 H CB 0.051 29.889 29.762 0.127 0.000 1.433 1431 H HN 0.389 nan 8.280 nan 0.000 0.537 1432 S N -0.212 115.244 115.700 -0.406 0.000 2.468 1432 S HA 0.026 4.497 4.470 0.001 0.000 0.226 1432 S C 0.610 175.142 174.600 -0.113 0.000 1.051 1432 S CA 0.386 58.402 58.200 -0.306 0.000 0.943 1432 S CB 0.239 63.213 63.200 -0.376 0.000 0.810 1432 S HN 0.721 nan 8.310 nan 0.000 0.509 1433 E N 0.686 120.842 120.200 -0.074 0.000 2.433 1433 E HA 0.323 4.674 4.350 0.001 0.000 0.273 1433 E C -1.983 174.621 176.600 0.007 0.000 0.950 1433 E CA -0.778 55.606 56.400 -0.025 0.000 0.796 1433 E CB 0.705 30.390 29.700 -0.025 0.000 1.330 1433 E HN -0.192 nan 8.360 nan 0.000 0.455 1434 D N 1.428 121.838 120.400 0.016 0.000 2.358 1434 D HA 0.156 4.797 4.640 0.001 0.000 0.258 1434 D C -0.928 175.391 176.300 0.033 0.000 1.223 1434 D CA 0.257 54.277 54.000 0.033 0.000 0.886 1434 D CB 0.610 41.425 40.800 0.024 0.000 1.120 1434 D HN 0.207 nan 8.370 nan 0.000 0.482 1435 D N 2.196 122.626 120.400 0.051 0.000 2.339 1435 D HA 0.124 4.765 4.640 0.001 0.000 0.241 1435 D C -0.187 176.137 176.300 0.040 0.000 1.183 1435 D CA -0.128 53.901 54.000 0.048 0.000 0.859 1435 D CB 0.418 41.258 40.800 0.067 0.000 1.067 1435 D HN 0.196 nan 8.370 nan 0.000 0.484 1436 c N 2.966 121.582 118.600 0.026 0.000 2.366 1436 c HA 0.796 5.367 4.570 0.001 0.000 0.345 1436 c C -0.117 173.987 174.090 0.024 0.000 1.209 1436 c CA -0.773 55.566 56.329 0.016 0.000 2.050 1436 c CB 0.051 42.563 42.510 0.003 0.000 2.359 1436 c HN 0.550 nan 8.230 nan 0.000 0.527 1437 L N 0.793 122.030 121.223 0.023 0.000 2.415 1437 L HA 1.066 5.406 4.340 0.001 0.000 0.256 1437 L C -0.551 176.339 176.870 0.033 0.000 1.010 1437 L CA -0.747 54.126 54.840 0.054 0.000 0.826 1437 L CB 1.378 43.495 42.059 0.097 0.000 1.405 1437 L HN 0.785 nan 8.230 nan 0.000 0.410 1438 A N 1.304 124.168 122.820 0.073 0.000 2.520 1438 A HA 0.944 5.265 4.320 0.001 0.000 0.298 1438 A C -1.386 176.281 177.584 0.139 0.000 1.051 1438 A CA -0.437 51.591 52.037 -0.015 0.000 0.690 1438 A CB 1.344 20.314 19.000 -0.051 0.000 1.281 1438 A HN 1.296 nan 8.150 nan 0.000 0.402 1439 F N -0.667 119.243 119.950 -0.067 0.000 2.641 1439 F HA 0.678 5.206 4.527 0.001 0.000 0.308 1439 F C -0.471 175.288 175.800 -0.068 0.000 1.105 1439 F CA -1.064 56.905 58.000 -0.051 0.000 0.964 1439 F CB 1.248 40.225 39.000 -0.038 0.000 1.294 1439 F HN 0.464 nan 8.300 nan 0.000 0.442 1440 K N 1.953 122.410 120.400 0.095 0.000 2.295 1440 K HA 0.602 4.923 4.320 0.001 0.000 0.270 1440 K C -0.790 175.786 176.600 -0.040 0.000 1.011 1440 K CA -0.730 55.530 56.287 -0.045 0.000 0.953 1440 K CB 1.696 34.152 32.500 -0.072 0.000 0.956 1440 K HN 0.657 nan 8.250 nan 0.000 0.477 1441 V N -0.312 119.532 119.914 -0.117 0.000 2.638 1441 V HA 0.384 4.505 4.120 0.001 0.000 0.306 1441 V C -0.809 175.358 176.094 0.122 0.000 1.052 1441 V CA -0.996 61.338 62.300 0.057 0.000 0.885 1441 V CB 1.600 33.519 31.823 0.160 0.000 0.999 1441 V HN 0.679 nan 8.190 nan 0.000 0.424 1442 H N 3.053 122.442 119.070 0.532 0.000 2.457 1442 H HA 0.426 4.982 4.556 0.001 0.000 0.335 1442 H C -0.626 174.839 175.328 0.227 0.000 1.115 1442 H CA -0.418 55.888 56.048 0.429 0.000 1.219 1442 H CB 2.450 32.473 29.762 0.435 0.000 1.471 1442 H HN 0.854 nan 8.280 nan 0.000 0.491 1443 Q N 3.116 122.877 119.800 -0.066 0.000 2.534 1443 Q HA 0.028 4.369 4.340 0.001 0.000 0.223 1443 Q C 0.210 176.103 176.000 -0.178 0.000 1.239 1443 Q CA -0.392 55.025 55.803 -0.644 0.000 0.936 1443 Q CB -0.064 28.190 28.738 -0.808 0.000 1.457 1443 Q HN 0.683 nan 8.270 nan 0.000 0.547 1444 Y N 2.060 122.370 120.300 0.017 0.000 2.457 1444 Y HA 0.174 4.724 4.550 0.001 0.000 0.292 1444 Y C -0.364 175.555 175.900 0.031 0.000 1.125 1444 Y CA -0.203 57.963 58.100 0.110 0.000 1.254 1444 Y CB 0.242 38.907 38.460 0.343 0.000 1.012 1444 Y HN 0.339 nan 8.280 nan 0.000 0.555 1445 F N 2.426 121.967 119.950 -0.681 0.000 2.507 1445 F HA 0.373 4.901 4.527 0.001 0.000 0.328 1445 F C -0.587 174.994 175.800 -0.364 0.000 1.136 1445 F CA -1.287 56.446 58.000 -0.445 0.000 0.930 1445 F CB 0.872 39.563 39.000 -0.515 0.000 1.166 1445 F HN -0.122 nan 8.300 nan 0.000 0.436 1446 N N 5.500 124.188 118.700 -0.021 0.000 2.437 1446 N HA 0.290 5.031 4.740 0.001 0.000 0.243 1446 N C -1.662 173.929 175.510 0.135 0.000 1.041 1446 N CA 0.179 53.230 53.050 0.002 0.000 0.940 1446 N CB 1.441 39.892 38.487 -0.060 0.000 1.133 1446 N HN 0.473 nan 8.380 nan 0.000 0.506 1447 V N 2.915 122.891 119.914 0.103 0.000 2.735 1447 V HA 0.329 4.450 4.120 0.001 0.000 0.310 1447 V C -0.182 175.942 176.094 0.050 0.000 1.061 1447 V CA -0.920 61.431 62.300 0.085 0.000 0.913 1447 V CB 2.001 33.848 31.823 0.040 0.000 1.005 1447 V HN 0.628 nan 8.190 nan 0.000 0.428 1448 E N 5.117 125.339 120.200 0.036 0.000 2.373 1448 E HA 0.421 4.771 4.350 0.001 0.000 0.267 1448 E C -0.769 175.847 176.600 0.027 0.000 1.032 1448 E CA -0.248 56.169 56.400 0.028 0.000 0.889 1448 E CB 0.471 30.177 29.700 0.010 0.000 0.984 1448 E HN 0.751 nan 8.360 nan 0.000 0.425 1449 L N 4.321 125.569 121.223 0.042 0.000 2.932 1449 L HA -0.219 4.121 4.340 0.001 0.000 0.604 1449 L C -0.363 176.550 176.870 0.072 0.000 1.002 1449 L CA 0.345 55.214 54.840 0.048 0.000 1.316 1449 L CB -1.461 40.602 42.059 0.006 0.000 1.668 1449 L HN 0.570 nan 8.230 nan 0.000 0.803 1450 I N 0.526 121.187 120.570 0.151 0.000 2.441 1450 I HA 0.552 4.723 4.170 0.001 0.000 0.295 1450 I C 0.193 176.438 176.117 0.213 0.000 0.994 1450 I CA -0.737 60.659 61.300 0.161 0.000 1.144 1450 I CB 1.772 39.871 38.000 0.166 0.000 1.314 1450 I HN 0.571 nan 8.210 nan 0.000 0.445 1451 Q N 6.268 126.129 119.800 0.103 0.000 2.314 1451 Q HA 0.396 4.736 4.340 0.001 0.000 0.258 1451 Q C -2.337 173.712 176.000 0.082 0.000 0.954 1451 Q CA -1.701 54.135 55.803 0.055 0.000 0.890 1451 Q CB 1.041 29.781 28.738 0.003 0.000 1.210 1451 Q HN 0.458 nan 8.270 nan 0.000 0.410 1452 P HA -0.010 nan 4.420 nan 0.000 0.266 1452 P C -0.465 176.725 177.300 -0.184 0.000 1.195 1452 P CA 0.115 63.212 63.100 -0.005 0.000 0.768 1452 P CB 0.561 32.236 31.700 -0.042 0.000 0.838 1453 G N 1.186 109.613 108.800 -0.622 0.000 2.580 1453 G HA2 0.572 4.532 3.960 0.001 0.000 0.278 1453 G HA3 0.572 4.532 3.960 0.001 0.000 0.278 1453 G C -1.025 173.520 174.900 -0.592 0.000 1.212 1453 G CA -0.212 44.396 45.100 -0.819 0.000 0.939 1453 G HN 0.653 nan 8.290 nan 0.000 0.513 1454 A N -1.317 121.358 122.820 -0.242 0.000 2.572 1454 A HA 0.723 5.044 4.320 0.001 0.000 0.295 1454 A C -1.272 176.322 177.584 0.017 0.000 1.072 1454 A CA -0.469 51.479 52.037 -0.148 0.000 0.691 1454 A CB 2.016 20.884 19.000 -0.221 0.000 1.291 1454 A HN 1.203 nan 8.150 nan 0.000 0.404 1455 V N 1.224 121.105 119.914 -0.055 0.000 2.638 1455 V HA 0.620 4.741 4.120 0.001 0.000 0.306 1455 V C -0.308 175.718 176.094 -0.113 0.000 1.052 1455 V CA -0.627 61.658 62.300 -0.025 0.000 0.885 1455 V CB 1.851 33.681 31.823 0.012 0.000 0.999 1455 V HN 0.953 nan 8.190 nan 0.000 0.424 1456 K N 2.956 123.308 120.400 -0.080 0.000 2.397 1456 K HA 0.805 5.126 4.320 0.001 0.000 0.253 1456 K C -1.906 174.643 176.600 -0.085 0.000 0.932 1456 K CA -0.533 55.717 56.287 -0.062 0.000 0.795 1456 K CB 2.441 34.943 32.500 0.003 0.000 1.159 1456 K HN 0.508 nan 8.250 nan 0.000 0.424 1457 V N 6.193 126.011 119.914 -0.160 0.000 2.555 1457 V HA 0.724 4.845 4.120 0.001 0.000 0.302 1457 V C -1.822 174.001 176.094 -0.453 0.000 1.038 1457 V CA -0.237 61.812 62.300 -0.418 0.000 0.887 1457 V CB 1.110 32.596 31.823 -0.562 0.000 0.991 1457 V HN 0.827 nan 8.190 nan 0.000 0.434 1458 Y N 3.646 123.601 120.300 -0.576 0.000 2.641 1458 Y HA 0.840 5.391 4.550 0.001 0.000 0.333 1458 Y C -0.454 175.332 175.900 -0.191 0.000 1.174 1458 Y CA -0.825 57.039 58.100 -0.393 0.000 1.057 1458 Y CB 0.841 39.193 38.460 -0.180 0.000 1.322 1458 Y HN 0.824 nan 8.280 nan 0.000 0.457 1459 A N 2.156 125.033 122.820 0.096 0.000 2.354 1459 A HA 0.366 4.687 4.320 0.001 0.000 0.269 1459 A C 0.573 178.097 177.584 -0.099 0.000 1.109 1459 A CA -0.151 51.853 52.037 -0.056 0.000 0.800 1459 A CB -0.265 18.536 19.000 -0.332 0.000 1.045 1459 A HN 1.265 nan 8.150 nan 0.000 0.489 1460 Y N 1.489 121.790 120.300 0.001 0.000 2.181 1460 Y HA -0.373 4.178 4.550 0.001 0.000 0.284 1460 Y C 1.491 177.478 175.900 0.145 0.000 1.179 1460 Y CA 2.200 60.380 58.100 0.132 0.000 1.179 1460 Y CB -1.029 37.523 38.460 0.154 0.000 0.973 1460 Y HN 0.737 nan 8.280 nan 0.000 0.519 1461 Y N -1.062 118.762 120.300 -0.795 0.000 2.511 1461 Y HA 0.319 4.870 4.550 0.001 0.000 0.279 1461 Y C -0.001 175.784 175.900 -0.192 0.000 1.157 1461 Y CA -0.247 57.481 58.100 -0.619 0.000 1.300 1461 Y CB -0.155 37.801 38.460 -0.840 0.000 1.052 1461 Y HN 0.134 nan 8.280 nan 0.000 0.529 1462 N N 0.910 119.418 118.700 -0.320 0.000 2.653 1462 N HA 0.107 4.848 4.740 0.001 0.000 0.261 1462 N C -0.194 175.262 175.510 -0.090 0.000 1.216 1462 N CA -0.351 52.617 53.050 -0.136 0.000 0.784 1462 N CB 1.002 39.422 38.487 -0.111 0.000 1.327 1462 N HN 0.304 nan 8.380 nan 0.000 0.539 1463 L N 2.435 123.587 121.223 -0.117 0.000 2.156 1463 L HA 0.195 4.535 4.340 0.001 0.000 0.208 1463 L C 1.627 178.362 176.870 -0.226 0.000 1.095 1463 L CA 1.783 56.434 54.840 -0.315 0.000 0.770 1463 L CB -0.026 41.793 42.059 -0.400 0.000 0.914 1463 L HN 0.443 nan 8.230 nan 0.000 0.439 1464 E N 0.048 120.180 120.200 -0.114 0.000 2.160 1464 E HA -0.156 4.195 4.350 0.001 0.000 0.195 1464 E C 0.231 176.811 176.600 -0.034 0.000 0.991 1464 E CA 0.767 57.127 56.400 -0.067 0.000 0.810 1464 E CB -0.210 29.472 29.700 -0.031 0.000 0.742 1464 E HN 0.602 nan 8.360 nan 0.000 0.466 1465 E N 1.839 122.037 120.200 -0.005 0.000 1.998 1465 E HA 0.165 4.516 4.350 0.001 0.000 0.257 1465 E C -0.331 176.329 176.600 0.101 0.000 1.038 1465 E CA -0.109 56.323 56.400 0.053 0.000 0.869 1465 E CB 0.775 30.524 29.700 0.081 0.000 1.135 1465 E HN 0.070 nan 8.360 nan 0.000 0.430 1466 S N 0.300 116.038 115.700 0.062 0.000 2.661 1466 S HA 0.576 5.047 4.470 0.001 0.000 0.285 1466 S C -0.621 174.010 174.600 0.052 0.000 1.138 1466 S CA -0.932 57.304 58.200 0.061 0.000 0.855 1466 S CB 2.124 65.305 63.200 -0.031 0.000 1.136 1466 S HN 0.394 nan 8.310 nan 0.000 0.484 1467 c N 1.903 120.514 118.600 0.017 0.000 2.431 1467 c HA 0.821 5.391 4.570 0.001 0.000 0.321 1467 c C -0.606 173.451 174.090 -0.057 0.000 1.202 1467 c CA 0.075 56.407 56.329 0.006 0.000 1.398 1467 c CB 0.397 42.940 42.510 0.054 0.000 2.047 1467 c HN 0.959 nan 8.230 nan 0.000 0.465 1468 T N 6.451 120.953 114.554 -0.086 0.000 2.792 1468 T HA 0.617 4.968 4.350 0.001 0.000 0.280 1468 T C -0.569 173.980 174.700 -0.251 0.000 0.990 1468 T CA -0.594 61.374 62.100 -0.219 0.000 0.960 1468 T CB 0.899 69.587 68.868 -0.300 0.000 0.939 1468 T HN 0.631 nan 8.240 nan 0.000 0.439 1469 R N 1.859 122.193 120.500 -0.276 0.000 2.740 1469 R HA 0.651 4.992 4.340 0.001 0.000 0.282 1469 R C -1.093 175.031 176.300 -0.292 0.000 0.969 1469 R CA -0.954 55.041 56.100 -0.176 0.000 0.918 1469 R CB 1.176 31.464 30.300 -0.020 0.000 1.175 1469 R HN 0.506 nan 8.270 nan 0.000 0.464 1470 F N 1.560 121.547 119.950 0.062 0.000 2.483 1470 F HA 0.529 5.056 4.527 0.001 0.000 0.329 1470 F C 0.098 175.963 175.800 0.109 0.000 1.064 1470 F CA -0.677 57.339 58.000 0.027 0.000 0.986 1470 F CB 1.121 40.102 39.000 -0.032 0.000 1.218 1470 F HN 0.425 nan 8.300 nan 0.000 0.484 1471 Y N -0.635 119.776 120.300 0.185 0.000 2.513 1471 Y HA 0.671 5.222 4.550 0.001 0.000 0.340 1471 Y C -1.513 174.447 175.900 0.099 0.000 1.055 1471 Y CA -1.033 57.117 58.100 0.083 0.000 1.020 1471 Y CB 1.397 39.846 38.460 -0.018 0.000 1.301 1471 Y HN 0.720 nan 8.280 nan 0.000 0.453 1472 H N 3.225 122.345 119.070 0.083 0.000 3.046 1472 H HA 0.300 4.857 4.556 0.001 0.000 0.363 1472 H C -2.689 172.638 175.328 -0.003 0.000 1.203 1472 H CA -2.179 53.859 56.048 -0.016 0.000 1.169 1472 H CB 3.275 33.002 29.762 -0.059 0.000 1.851 1472 H HN 0.515 nan 8.280 nan 0.000 0.546 1473 P HA 0.027 nan 4.420 nan 0.000 0.230 1473 P C 0.110 177.415 177.300 0.009 0.000 1.158 1473 P CA 1.115 64.123 63.100 -0.154 0.000 0.769 1473 P CB 0.438 31.992 31.700 -0.243 0.000 0.807 1474 E N -1.947 118.376 120.200 0.206 0.000 2.743 1474 E HA 0.144 4.495 4.350 0.001 0.000 0.222 1474 E C -0.062 176.602 176.600 0.107 0.000 0.959 1474 E CA -0.107 56.389 56.400 0.160 0.000 1.198 1474 E CB 0.589 30.381 29.700 0.153 0.000 1.100 1474 E HN 0.195 nan 8.360 nan 0.000 0.518 1475 K N 1.422 121.902 120.400 0.133 0.000 2.270 1475 K HA 0.254 4.575 4.320 0.001 0.000 0.255 1475 K C -0.494 176.113 176.600 0.011 0.000 0.936 1475 K CA -0.812 55.469 56.287 -0.011 0.000 0.809 1475 K CB 2.011 34.437 32.500 -0.124 0.000 1.131 1475 K HN -0.162 nan 8.250 nan 0.000 0.427 1476 E N 3.052 123.239 120.200 -0.022 0.000 2.292 1476 E HA -0.099 4.252 4.350 0.001 0.000 0.265 1476 E C -0.560 176.052 176.600 0.019 0.000 1.093 1476 E CA 0.731 57.132 56.400 0.001 0.000 0.922 1476 E CB -0.143 29.552 29.700 -0.008 0.000 1.001 1476 E HN 0.532 nan 8.360 nan 0.000 0.444 1477 D N 3.785 124.215 120.400 0.050 0.000 2.945 1477 D HA -0.206 4.435 4.640 0.001 0.000 0.225 1477 D C 0.494 176.864 176.300 0.116 0.000 1.158 1477 D CA 1.259 55.309 54.000 0.083 0.000 0.805 1477 D CB -1.238 39.607 40.800 0.075 0.000 1.098 1477 D HN 0.934 nan 8.370 nan 0.000 0.426 1478 G N -0.017 108.843 108.800 0.099 0.000 2.283 1478 G HA2 -0.345 3.615 3.960 0.001 0.000 0.280 1478 G HA3 -0.345 3.615 3.960 0.001 0.000 0.280 1478 G C 0.196 175.068 174.900 -0.046 0.000 1.029 1478 G CA 0.790 45.947 45.100 0.094 0.000 0.840 1478 G HN 0.268 nan 8.290 nan 0.000 0.505 1479 K N -0.101 120.242 120.400 -0.096 0.000 2.159 1479 K HA 0.491 4.812 4.320 0.001 0.000 0.266 1479 K C 1.070 177.543 176.600 -0.212 0.000 0.975 1479 K CA -0.795 55.386 56.287 -0.178 0.000 0.865 1479 K CB 1.402 33.844 32.500 -0.097 0.000 1.087 1479 K HN 0.258 nan 8.250 nan 0.000 0.446 1480 L N 2.694 123.770 121.223 -0.245 0.000 2.485 1480 L HA 0.040 4.380 4.340 0.001 0.000 0.275 1480 L C 0.917 177.696 176.870 -0.151 0.000 1.207 1480 L CA -0.022 54.691 54.840 -0.212 0.000 0.855 1480 L CB 0.085 42.028 42.059 -0.194 0.000 1.114 1480 L HN 0.365 nan 8.230 nan 0.000 0.485 1481 N N 4.439 123.044 118.700 -0.159 0.000 2.475 1481 N HA 0.153 4.894 4.740 0.001 0.000 0.267 1481 N C -0.619 174.905 175.510 0.023 0.000 1.169 1481 N CA 0.165 53.148 53.050 -0.112 0.000 0.947 1481 N CB 1.013 39.340 38.487 -0.267 0.000 1.061 1481 N HN 0.544 nan 8.380 nan 0.000 0.466 1482 K N 0.829 121.314 120.400 0.142 0.000 2.536 1482 K HA 0.491 4.812 4.320 0.001 0.000 0.269 1482 K C -1.428 175.212 176.600 0.066 0.000 0.965 1482 K CA -0.832 55.511 56.287 0.093 0.000 0.860 1482 K CB 1.350 33.865 32.500 0.026 0.000 1.423 1482 K HN 0.220 nan 8.250 nan 0.000 0.438 1483 L N 1.958 123.094 121.223 -0.145 0.000 2.298 1483 L HA 0.439 4.780 4.340 0.001 0.000 0.284 1483 L C -1.073 175.741 176.870 -0.093 0.000 1.013 1483 L CA -0.804 53.782 54.840 -0.422 0.000 0.824 1483 L CB 1.592 43.006 42.059 -1.075 0.000 1.221 1483 L HN 0.693 nan 8.230 nan 0.000 0.418 1484 c N 2.888 121.551 118.600 0.104 0.000 2.382 1484 c HA 0.589 5.160 4.570 0.001 0.000 0.327 1484 c C 0.279 174.589 174.090 0.365 0.000 1.250 1484 c CA -0.785 55.684 56.329 0.233 0.000 1.707 1484 c CB 1.513 44.094 42.510 0.119 0.000 2.272 1484 c HN 0.765 nan 8.230 nan 0.000 0.506 1485 R N 2.783 123.440 120.500 0.262 0.000 2.467 1485 R HA 0.291 4.632 4.340 0.001 0.000 0.299 1485 R C 0.211 176.520 176.300 0.014 0.000 1.120 1485 R CA -0.063 56.075 56.100 0.062 0.000 0.940 1485 R CB 0.153 30.325 30.300 -0.214 0.000 1.161 1485 R HN 1.016 nan 8.270 nan 0.000 0.506 1486 D N 1.592 122.000 120.400 0.014 0.000 4.543 1486 D HA -0.290 4.350 4.640 0.001 0.000 0.195 1486 D C 0.633 176.948 176.300 0.024 0.000 0.625 1486 D CA 2.392 56.397 54.000 0.008 0.000 1.383 1486 D CB -0.395 40.396 40.800 -0.015 0.000 0.867 1486 D HN 0.771 nan 8.370 nan 0.000 0.458 1487 E N 1.908 122.120 120.200 0.021 0.000 2.364 1487 E HA 0.092 4.442 4.350 0.001 0.000 0.203 1487 E C 1.509 178.131 176.600 0.037 0.000 0.888 1487 E CA -0.070 56.345 56.400 0.026 0.000 0.989 1487 E CB -0.213 29.496 29.700 0.015 0.000 0.985 1487 E HN 0.551 nan 8.360 nan 0.000 0.499 1488 L N 1.657 122.906 121.223 0.043 0.000 2.426 1488 L HA 0.311 4.651 4.340 0.001 0.000 0.271 1488 L C -1.015 175.916 176.870 0.103 0.000 1.169 1488 L CA -0.133 54.744 54.840 0.062 0.000 0.836 1488 L CB 0.799 42.892 42.059 0.056 0.000 1.112 1488 L HN 0.078 nan 8.230 nan 0.000 0.465 1489 c N 3.891 122.547 118.600 0.093 0.000 2.797 1489 c HA 0.678 5.248 4.570 0.001 0.000 0.306 1489 c C -0.624 173.511 174.090 0.076 0.000 1.207 1489 c CA -0.858 55.530 56.329 0.098 0.000 1.507 1489 c CB 1.955 44.501 42.510 0.059 0.000 2.028 1489 c HN 0.968 nan 8.230 nan 0.000 0.475 1490 R N 0.790 121.321 120.500 0.053 0.000 2.599 1490 R HA 0.695 5.035 4.340 0.001 0.000 0.295 1490 R C -0.828 175.463 176.300 -0.014 0.000 0.963 1490 R CA -0.287 55.826 56.100 0.021 0.000 0.883 1490 R CB 0.781 31.098 30.300 0.028 0.000 1.171 1490 R HN 0.688 nan 8.270 nan 0.000 0.450 1491 C N 2.661 121.959 119.300 -0.003 0.000 2.648 1491 C HA 0.412 4.873 4.460 0.001 0.000 0.419 1491 C C 1.340 176.329 174.990 -0.002 0.000 1.352 1491 C CA 0.237 59.250 59.018 -0.007 0.000 1.816 1491 C CB -0.465 27.268 27.740 -0.012 0.000 2.598 1491 C HN 0.935 nan 8.230 nan 0.000 0.598 1492 A N 4.351 127.181 122.820 0.017 0.000 2.500 1492 A HA 0.240 4.561 4.320 0.001 0.000 0.267 1492 A C 1.493 179.076 177.584 -0.002 0.000 1.290 1492 A CA 0.161 52.227 52.037 0.047 0.000 0.928 1492 A CB -0.203 18.920 19.000 0.205 0.000 1.066 1492 A HN 0.899 nan 8.150 nan 0.000 0.516 1493 E N 1.141 121.324 120.200 -0.028 0.000 2.489 1493 E HA -0.023 4.327 4.350 0.001 0.000 0.193 1493 E C 0.301 176.881 176.600 -0.035 0.000 1.057 1493 E CA 0.060 56.429 56.400 -0.052 0.000 0.866 1493 E CB -0.140 29.518 29.700 -0.069 0.000 0.916 1493 E HN 0.934 nan 8.360 nan 0.000 0.500 1494 E N 1.679 121.869 120.200 -0.015 0.000 2.521 1494 E HA -0.093 4.258 4.350 0.001 0.000 0.270 1494 E C 0.041 176.634 176.600 -0.012 0.000 1.082 1494 E CA 0.056 56.452 56.400 -0.007 0.000 0.997 1494 E CB 0.172 29.880 29.700 0.013 0.000 0.990 1494 E HN -0.072 nan 8.360 nan 0.000 0.458 1495 N N 1.253 119.940 118.700 -0.020 0.000 2.374 1495 N HA -0.073 4.668 4.740 0.001 0.000 0.241 1495 N C 0.487 175.991 175.510 -0.010 0.000 1.262 1495 N CA 0.052 53.077 53.050 -0.042 0.000 0.880 1495 N CB 0.547 38.992 38.487 -0.071 0.000 1.105 1495 N HN 0.517 nan 8.380 nan 0.000 0.438 1496 c N 0.288 118.885 118.600 -0.006 0.000 2.486 1496 c HA 0.099 4.670 4.570 0.001 0.000 0.279 1496 c C 0.813 175.052 174.090 0.247 0.000 1.302 1496 c CA 0.374 56.779 56.329 0.127 0.000 1.720 1496 c CB -1.125 41.516 42.510 0.218 0.000 2.030 1496 c HN 0.820 nan 8.230 nan 0.000 0.490 1497 F N -2.539 117.358 119.950 -0.090 0.000 2.773 1497 F HA 0.642 5.169 4.527 0.001 0.000 0.314 1497 F C -1.148 174.555 175.800 -0.161 0.000 1.160 1497 F CA -1.599 56.320 58.000 -0.136 0.000 0.920 1497 F CB 0.260 39.136 39.000 -0.207 0.000 1.323 1497 F HN -0.214 nan 8.300 nan 0.000 0.457 1498 I N 3.654 124.122 120.570 -0.171 0.000 2.517 1498 I HA 0.142 4.313 4.170 0.001 0.000 0.285 1498 I C 0.350 176.210 176.117 -0.428 0.000 1.106 1498 I CA -0.029 61.134 61.300 -0.229 0.000 1.402 1498 I CB 0.433 38.429 38.000 -0.007 0.000 1.399 1498 I HN 0.857 nan 8.210 nan 0.000 0.535 1506 T N 0.626 115.231 114.554 0.084 0.000 2.804 1506 T HA 0.783 5.133 4.350 0.001 0.000 0.290 1506 T C -0.225 174.502 174.700 0.044 0.000 1.099 1506 T CA -0.811 61.319 62.100 0.050 0.000 1.011 1506 T CB 1.944 70.835 68.868 0.038 0.000 1.291 1506 T HN 0.945 nan 8.240 nan 0.000 0.523 1507 L N 0.562 121.803 121.223 0.030 0.000 2.470 1507 L HA 0.294 4.635 4.340 0.001 0.000 0.243 1507 L C 1.294 178.179 176.870 0.025 0.000 1.227 1507 L CA 0.357 55.217 54.840 0.033 0.000 0.824 1507 L CB 0.179 42.256 42.059 0.030 0.000 1.175 1507 L HN 1.090 nan 8.230 nan 0.000 0.503 1508 E N -1.122 119.089 120.200 0.019 0.000 5.003 1508 E HA -0.340 4.010 4.350 0.001 0.000 0.166 1508 E C 1.321 177.917 176.600 -0.007 0.000 1.244 1508 E CA 2.137 58.533 56.400 -0.007 0.000 2.281 1508 E CB -0.819 28.871 29.700 -0.015 0.000 1.825 1508 E HN 0.757 nan 8.360 nan 0.000 0.420 1509 E N 0.123 120.330 120.200 0.012 0.000 2.077 1509 E HA -0.156 4.195 4.350 0.001 0.000 0.193 1509 E C 2.041 178.634 176.600 -0.013 0.000 0.989 1509 E CA 1.262 57.674 56.400 0.020 0.000 0.800 1509 E CB -0.108 29.631 29.700 0.064 0.000 0.746 1509 E HN 0.280 nan 8.360 nan 0.000 0.452 1510 R N 0.365 120.843 120.500 -0.036 0.000 2.073 1510 R HA -0.098 4.242 4.340 0.001 0.000 0.234 1510 R C 2.512 178.749 176.300 -0.106 0.000 1.134 1510 R CA 0.981 57.014 56.100 -0.111 0.000 0.952 1510 R CB -0.333 29.863 30.300 -0.173 0.000 0.850 1510 R HN 0.168 nan 8.270 nan 0.000 0.433 1511 L N 0.395 121.632 121.223 0.023 0.000 2.083 1511 L HA -0.189 4.151 4.340 0.001 0.000 0.209 1511 L C 2.134 178.910 176.870 -0.157 0.000 1.083 1511 L CA 1.432 56.233 54.840 -0.065 0.000 0.752 1511 L CB -0.439 41.573 42.059 -0.079 0.000 0.899 1511 L HN 0.212 nan 8.230 nan 0.000 0.433 1512 D N 0.042 120.372 120.400 -0.117 0.000 2.144 1512 D HA -0.183 4.457 4.640 0.001 0.000 0.200 1512 D C 2.158 178.376 176.300 -0.136 0.000 0.978 1512 D CA 1.291 55.227 54.000 -0.107 0.000 0.833 1512 D CB 0.211 40.976 40.800 -0.058 0.000 0.961 1512 D HN 0.132 nan 8.370 nan 0.000 0.470 1513 K N -0.234 120.067 120.400 -0.165 0.000 2.031 1513 K HA 0.075 4.395 4.320 0.001 0.000 0.205 1513 K C 2.083 178.417 176.600 -0.443 0.000 1.049 1513 K CA 1.027 57.218 56.287 -0.160 0.000 0.939 1513 K CB -0.050 32.483 32.500 0.056 0.000 0.717 1513 K HN 0.116 nan 8.250 nan 0.000 0.438 1514 A N 0.258 122.564 122.820 -0.857 0.000 2.206 1514 A HA -0.064 4.256 4.320 0.001 0.000 0.211 1514 A C 1.744 178.995 177.584 -0.554 0.000 1.158 1514 A CA 0.678 52.010 52.037 -1.175 0.000 0.761 1514 A CB -0.379 17.789 19.000 -1.387 0.000 0.801 1514 A HN 0.355 nan 8.150 nan 0.000 0.473 1515 c N 0.543 118.934 118.600 -0.349 0.000 2.754 1515 c HA 0.202 4.773 4.570 0.001 0.000 0.276 1515 c C 0.745 174.748 174.090 -0.146 0.000 1.264 1515 c CA -0.672 55.527 56.329 -0.216 0.000 1.700 1515 c CB -1.499 40.906 42.510 -0.175 0.000 1.885 1515 c HN 0.537 nan 8.230 nan 0.000 0.607 1516 E N 1.863 121.975 120.200 -0.146 0.000 2.384 1516 E HA 0.036 4.387 4.350 0.001 0.000 0.266 1516 E C -1.520 175.043 176.600 -0.062 0.000 1.012 1516 E CA -0.928 55.423 56.400 -0.081 0.000 0.901 1516 E CB 0.665 30.332 29.700 -0.056 0.000 0.967 1516 E HN 0.166 nan 8.360 nan 0.000 0.435 1517 P HA -0.191 nan 4.420 nan 0.000 0.217 1517 P C 1.205 178.507 177.300 0.003 0.000 1.148 1517 P CA 1.279 64.371 63.100 -0.013 0.000 0.834 1517 P CB 0.117 31.814 31.700 -0.006 0.000 0.783 1518 G N -1.002 107.802 108.800 0.008 0.000 2.535 1518 G HA2 -0.103 3.857 3.960 0.001 0.000 0.218 1518 G HA3 -0.103 3.857 3.960 0.001 0.000 0.218 1518 G C 0.358 175.284 174.900 0.043 0.000 1.122 1518 G CA 0.236 45.357 45.100 0.034 0.000 0.769 1518 G HN 0.236 nan 8.290 nan 0.000 0.549 1519 V N 1.057 120.966 119.914 -0.008 0.000 2.277 1519 V HA 0.176 4.297 4.120 0.001 0.000 0.269 1519 V C 0.624 176.702 176.094 -0.026 0.000 1.036 1519 V CA -0.468 61.807 62.300 -0.042 0.000 0.821 1519 V CB 1.171 32.883 31.823 -0.186 0.000 1.052 1519 V HN 0.192 nan 8.190 nan 0.000 0.462 1520 D N 3.218 123.655 120.400 0.061 0.000 2.162 1520 D HA -0.017 4.623 4.640 0.001 0.000 0.203 1520 D C 0.354 176.790 176.300 0.226 0.000 0.967 1520 D CA 1.175 55.274 54.000 0.165 0.000 0.840 1520 D CB 0.288 41.260 40.800 0.287 0.000 0.972 1520 D HN 0.678 nan 8.370 nan 0.000 0.482 1521 Y N -2.305 118.054 120.300 0.099 0.000 2.545 1521 Y HA 0.662 5.212 4.550 0.001 0.000 0.348 1521 Y C -1.415 174.437 175.900 -0.079 0.000 1.002 1521 Y CA -1.445 56.616 58.100 -0.064 0.000 1.039 1521 Y CB 1.370 39.678 38.460 -0.254 0.000 1.271 1521 Y HN -0.319 nan 8.280 nan 0.000 0.467 1522 V N 3.880 123.779 119.914 -0.025 0.000 2.612 1522 V HA 0.397 4.517 4.120 0.001 0.000 0.301 1522 V C -1.534 174.761 176.094 0.335 0.000 1.059 1522 V CA -0.789 61.620 62.300 0.182 0.000 0.886 1522 V CB 1.091 33.075 31.823 0.269 0.000 1.007 1522 V HN 0.726 nan 8.190 nan 0.000 0.426 1523 Y N 2.073 122.689 120.300 0.527 0.000 2.499 1523 Y HA 0.576 5.127 4.550 0.001 0.000 0.347 1523 Y C 0.110 176.236 175.900 0.378 0.000 0.987 1523 Y CA -1.872 56.468 58.100 0.400 0.000 1.044 1523 Y CB 1.957 40.621 38.460 0.340 0.000 1.245 1523 Y HN 0.520 nan 8.280 nan 0.000 0.461 1524 K N 1.915 122.588 120.400 0.456 0.000 2.211 1524 K HA 0.557 4.878 4.320 0.001 0.000 0.275 1524 K C -0.723 175.976 176.600 0.164 0.000 1.024 1524 K CA -0.258 56.193 56.287 0.273 0.000 0.887 1524 K CB 0.588 33.054 32.500 -0.057 0.000 1.084 1524 K HN 0.874 nan 8.250 nan 0.000 0.463 1525 T N 0.981 115.635 114.554 0.166 0.000 2.916 1525 T HA 0.438 4.789 4.350 0.001 0.000 0.292 1525 T C -0.629 174.088 174.700 0.028 0.000 1.055 1525 T CA -1.074 61.067 62.100 0.068 0.000 1.009 1525 T CB 1.691 70.560 68.868 0.003 0.000 1.118 1525 T HN 0.587 nan 8.240 nan 0.000 0.497 1526 R N 1.446 121.903 120.500 -0.071 0.000 2.437 1526 R HA 0.496 4.837 4.340 0.001 0.000 0.310 1526 R C -1.213 175.030 176.300 -0.094 0.000 0.955 1526 R CA -1.020 54.948 56.100 -0.219 0.000 0.851 1526 R CB 1.200 31.313 30.300 -0.312 0.000 1.161 1526 R HN 0.589 nan 8.270 nan 0.000 0.446 1527 L N 6.195 127.404 121.223 -0.024 0.000 2.385 1527 L HA 0.100 4.441 4.340 0.001 0.000 0.281 1527 L C 0.298 177.164 176.870 -0.007 0.000 1.106 1527 L CA 0.581 55.432 54.840 0.019 0.000 0.856 1527 L CB 1.201 43.322 42.059 0.103 0.000 1.186 1527 L HN 0.615 nan 8.230 nan 0.000 0.453 1528 V N 4.575 124.487 119.914 -0.004 0.000 2.426 1528 V HA 0.134 4.255 4.120 0.001 0.000 0.242 1528 V C 0.921 177.023 176.094 0.013 0.000 1.036 1528 V CA 0.797 63.094 62.300 -0.005 0.000 1.044 1528 V CB -0.078 31.739 31.823 -0.009 0.000 0.688 1528 V HN 0.790 nan 8.190 nan 0.000 0.462 1529 K N -0.183 120.235 120.400 0.030 0.000 2.535 1529 K HA 0.463 4.784 4.320 0.001 0.000 0.251 1529 K C -1.713 174.914 176.600 0.044 0.000 0.942 1529 K CA -0.440 55.865 56.287 0.030 0.000 0.798 1529 K CB 2.547 35.056 32.500 0.015 0.000 1.267 1529 K HN -0.014 nan 8.250 nan 0.000 0.434 1530 V N 4.124 124.063 119.914 0.041 0.000 2.383 1530 V HA 0.234 4.355 4.120 0.001 0.000 0.275 1530 V C -0.294 175.760 176.094 -0.068 0.000 1.036 1530 V CA -0.442 61.862 62.300 0.007 0.000 0.889 1530 V CB 1.217 33.087 31.823 0.079 0.000 0.985 1530 V HN 0.723 nan 8.190 nan 0.000 0.459 1531 Q N 4.354 124.066 119.800 -0.146 0.000 2.560 1531 Q HA 0.393 4.733 4.340 0.001 0.000 0.238 1531 Q C -1.104 174.803 176.000 -0.154 0.000 1.079 1531 Q CA -0.720 55.014 55.803 -0.114 0.000 0.866 1531 Q CB 1.266 29.960 28.738 -0.074 0.000 1.153 1531 Q HN 0.508 nan 8.270 nan 0.000 0.530 1532 L N 1.744 122.894 121.223 -0.121 0.000 2.380 1532 L HA 0.288 4.629 4.340 0.001 0.000 0.273 1532 L C 0.626 177.458 176.870 -0.063 0.000 1.138 1532 L CA 0.627 55.402 54.840 -0.107 0.000 0.832 1532 L CB 0.925 42.943 42.059 -0.068 0.000 1.124 1532 L HN 0.578 nan 8.230 nan 0.000 0.454 1533 S N 2.278 117.946 115.700 -0.054 0.000 2.900 1533 S HA 0.499 4.970 4.470 0.001 0.000 0.320 1533 S C 0.615 175.200 174.600 -0.025 0.000 1.130 1533 S CA -0.708 57.478 58.200 -0.023 0.000 0.863 1533 S CB 0.948 64.149 63.200 0.001 0.000 1.295 1533 S HN 0.506 nan 8.310 nan 0.000 0.596 1534 N N 1.594 120.287 118.700 -0.011 0.000 2.409 1534 N HA 0.040 4.781 4.740 0.001 0.000 0.179 1534 N C 0.543 176.025 175.510 -0.046 0.000 1.032 1534 N CA 1.549 54.588 53.050 -0.018 0.000 0.898 1534 N CB -0.298 38.188 38.487 -0.002 0.000 0.971 1534 N HN 0.807 nan 8.380 nan 0.000 0.441 1535 D N -1.258 119.113 120.400 -0.049 0.000 3.050 1535 D HA 0.010 4.651 4.640 0.001 0.000 0.281 1535 D C -0.314 175.787 176.300 -0.331 0.000 1.246 1535 D CA 0.033 53.940 54.000 -0.155 0.000 1.073 1535 D CB -0.270 40.504 40.800 -0.042 0.000 1.382 1535 D HN -0.056 nan 8.370 nan 0.000 0.433 1536 F N 2.423 122.337 119.950 -0.060 0.000 2.403 1536 F HA 0.327 4.855 4.527 0.001 0.000 0.355 1536 F C -0.158 175.581 175.800 -0.101 0.000 1.119 1536 F CA -0.977 56.979 58.000 -0.074 0.000 1.007 1536 F CB 1.464 40.415 39.000 -0.082 0.000 1.194 1536 F HN -0.283 nan 8.300 nan 0.000 0.443 1537 D N 3.466 123.862 120.400 -0.007 0.000 2.345 1537 D HA 0.138 4.778 4.640 0.001 0.000 0.247 1537 D C -0.274 175.857 176.300 -0.281 0.000 1.108 1537 D CA 0.048 53.925 54.000 -0.205 0.000 0.894 1537 D CB 1.233 41.832 40.800 -0.335 0.000 1.203 1537 D HN 0.552 nan 8.370 nan 0.000 0.430 1538 E N 1.037 121.015 120.200 -0.369 0.000 2.176 1538 E HA 0.257 4.608 4.350 0.001 0.000 0.267 1538 E C -0.963 175.416 176.600 -0.370 0.000 0.893 1538 E CA -0.692 55.562 56.400 -0.244 0.000 0.761 1538 E CB 1.227 30.878 29.700 -0.081 0.000 1.133 1538 E HN 0.323 nan 8.360 nan 0.000 0.409 1539 Y N 2.483 122.823 120.300 0.067 0.000 2.388 1539 Y HA 0.352 4.903 4.550 0.001 0.000 0.328 1539 Y C 0.085 176.023 175.900 0.063 0.000 0.963 1539 Y CA -0.746 57.369 58.100 0.025 0.000 1.240 1539 Y CB 0.605 39.036 38.460 -0.047 0.000 1.118 1539 Y HN 0.373 nan 8.280 nan 0.000 0.484 1540 I N 5.402 126.062 120.570 0.149 0.000 2.363 1540 I HA 0.171 4.342 4.170 0.001 0.000 0.292 1540 I C -0.322 175.836 176.117 0.068 0.000 1.075 1540 I CA -0.003 61.365 61.300 0.113 0.000 1.333 1540 I CB 0.206 38.244 38.000 0.063 0.000 1.415 1540 I HN 0.437 nan 8.210 nan 0.000 0.502 1541 M N 5.326 124.962 119.600 0.060 0.000 2.363 1541 M HA 0.541 5.022 4.480 0.001 0.000 0.343 1541 M C -0.031 176.252 176.300 -0.028 0.000 1.165 1541 M CA -0.634 54.641 55.300 -0.041 0.000 1.046 1541 M CB 1.599 34.072 32.600 -0.211 0.000 1.648 1541 M HN 0.544 nan 8.290 nan 0.000 0.452 1542 A N 3.528 126.318 122.820 -0.051 0.000 2.301 1542 A HA 0.699 5.020 4.320 0.001 0.000 0.298 1542 A C -0.246 177.288 177.584 -0.083 0.000 1.185 1542 A CA -0.576 51.427 52.037 -0.057 0.000 0.830 1542 A CB 0.033 19.004 19.000 -0.048 0.000 1.112 1542 A HN 0.808 nan 8.150 nan 0.000 0.508 1543 I N 2.456 122.953 120.570 -0.121 0.000 2.337 1543 I HA 0.159 4.330 4.170 0.001 0.000 0.291 1543 I C 0.978 177.037 176.117 -0.096 0.000 1.046 1543 I CA 0.279 61.474 61.300 -0.176 0.000 1.324 1543 I CB 1.065 38.828 38.000 -0.396 0.000 1.409 1543 I HN 0.882 nan 8.210 nan 0.000 0.494 1544 E N 4.957 125.127 120.200 -0.049 0.000 2.201 1544 E HA 0.032 4.383 4.350 0.001 0.000 0.193 1544 E C -0.151 176.441 176.600 -0.014 0.000 0.957 1544 E CA 0.346 56.727 56.400 -0.031 0.000 0.858 1544 E CB 0.366 30.047 29.700 -0.032 0.000 0.816 1544 E HN 0.669 nan 8.360 nan 0.000 0.475 1545 Q N 0.800 120.616 119.800 0.027 0.000 2.271 1545 Q HA 0.281 4.622 4.340 0.001 0.000 0.268 1545 Q C -0.964 175.157 176.000 0.203 0.000 1.021 1545 Q CA -0.669 55.185 55.803 0.085 0.000 0.802 1545 Q CB 1.234 30.019 28.738 0.079 0.000 1.282 1545 Q HN -0.134 nan 8.270 nan 0.000 0.431 1546 T N 0.652 115.327 114.554 0.202 0.000 3.455 1546 T HA 0.299 4.650 4.350 0.001 0.000 0.286 1546 T C 1.037 175.921 174.700 0.308 0.000 1.157 1546 T CA -0.402 61.918 62.100 0.367 0.000 1.090 1546 T CB -0.605 68.436 68.868 0.289 0.000 1.112 1546 T HN 0.661 nan 8.240 nan 0.000 0.779 1547 I N 0.453 121.228 120.570 0.343 0.000 2.454 1547 I HA 0.018 4.188 4.170 0.001 0.000 0.254 1547 I C 1.416 177.633 176.117 0.167 0.000 1.156 1547 I CA 1.036 62.477 61.300 0.234 0.000 1.433 1547 I CB -0.058 38.116 38.000 0.289 0.000 1.082 1547 I HN 0.495 nan 8.210 nan 0.000 0.432 1548 K N 0.910 121.443 120.400 0.222 0.000 2.615 1548 K HA 0.328 4.649 4.320 0.001 0.000 0.249 1548 K C -1.314 175.437 176.600 0.252 0.000 0.977 1548 K CA -0.300 56.085 56.287 0.163 0.000 0.833 1548 K CB 1.676 34.219 32.500 0.072 0.000 1.208 1548 K HN -0.163 nan 8.250 nan 0.000 0.443 1549 S N 1.800 117.640 115.700 0.233 0.000 2.442 1549 S HA 0.519 4.990 4.470 0.001 0.000 0.297 1549 S C 0.216 174.946 174.600 0.217 0.000 1.131 1549 S CA -0.669 57.700 58.200 0.282 0.000 1.092 1549 S CB 1.681 65.018 63.200 0.228 0.000 0.998 1549 S HN 0.796 nan 8.310 nan 0.000 0.478 1550 G N 1.637 110.594 108.800 0.263 0.000 3.410 1550 G HA2 0.314 4.275 3.960 0.001 0.000 0.189 1550 G HA3 0.314 4.275 3.960 0.001 0.000 0.189 1550 G C 1.102 176.088 174.900 0.144 0.000 1.404 1550 G CA 0.063 45.278 45.100 0.192 0.000 0.898 1550 G HN 0.669 nan 8.290 nan 0.000 0.650 1551 S N -0.636 115.116 115.700 0.088 0.000 2.436 1551 S HA -0.007 4.463 4.470 0.001 0.000 0.228 1551 S C 0.675 175.270 174.600 -0.009 0.000 1.014 1551 S CA 1.081 59.267 58.200 -0.023 0.000 0.950 1551 S CB -0.029 63.073 63.200 -0.164 0.000 0.784 1551 S HN 0.350 nan 8.310 nan 0.000 0.504 1552 D N 2.506 122.977 120.400 0.118 0.000 2.422 1552 D HA 0.147 4.788 4.640 0.001 0.000 0.227 1552 D C -0.056 176.387 176.300 0.239 0.000 1.190 1552 D CA -0.172 53.966 54.000 0.229 0.000 0.905 1552 D CB 0.349 41.458 40.800 0.515 0.000 1.034 1552 D HN 0.128 nan 8.370 nan 0.000 0.507 1553 E N 2.854 123.142 120.200 0.148 0.000 2.705 1553 E HA 0.012 4.363 4.350 0.001 0.000 0.272 1553 E C 0.044 176.715 176.600 0.119 0.000 1.528 1553 E CA -0.111 56.365 56.400 0.127 0.000 1.750 1553 E CB 0.210 29.958 29.700 0.080 0.000 1.439 1553 E HN 0.264 nan 8.360 nan 0.000 0.449 1554 V N 1.595 121.599 119.914 0.149 0.000 2.637 1554 V HA -0.045 4.075 4.120 0.001 0.000 0.296 1554 V C 0.223 176.345 176.094 0.047 0.000 1.046 1554 V CA -0.002 62.350 62.300 0.088 0.000 1.066 1554 V CB 1.262 33.125 31.823 0.068 0.000 0.968 1554 V HN 0.253 nan 8.190 nan 0.000 0.483 1555 Q N 3.493 123.306 119.800 0.022 0.000 2.199 1555 Q HA 0.494 4.835 4.340 0.001 0.000 0.232 1555 Q C -0.645 175.343 176.000 -0.021 0.000 0.969 1555 Q CA -0.241 55.569 55.803 0.011 0.000 0.925 1555 Q CB 1.769 30.516 28.738 0.015 0.000 1.198 1555 Q HN 0.688 nan 8.270 nan 0.000 0.494 1556 V N 1.581 121.486 119.914 -0.014 0.000 2.508 1556 V HA 0.425 4.546 4.120 0.001 0.000 0.281 1556 V C 1.088 177.166 176.094 -0.026 0.000 1.041 1556 V CA 1.363 63.646 62.300 -0.028 0.000 1.016 1556 V CB 0.381 32.198 31.823 -0.010 0.000 0.984 1556 V HN 0.987 nan 8.190 nan 0.000 0.478 1557 G N 3.808 112.585 108.800 -0.039 0.000 2.201 1557 G HA2 -0.165 3.795 3.960 0.001 0.000 0.212 1557 G HA3 -0.165 3.795 3.960 0.001 0.000 0.212 1557 G C 0.119 175.002 174.900 -0.029 0.000 0.994 1557 G CA -0.202 44.881 45.100 -0.029 0.000 0.644 1557 G HN 0.591 nan 8.290 nan 0.000 0.508 1558 Q N 0.256 120.034 119.800 -0.037 0.000 2.227 1558 Q HA 0.579 4.919 4.340 0.001 0.000 0.245 1558 Q C -0.009 175.968 176.000 -0.038 0.000 0.926 1558 Q CA -0.245 55.541 55.803 -0.028 0.000 0.895 1558 Q CB 0.902 29.629 28.738 -0.019 0.000 1.230 1558 Q HN 0.508 nan 8.270 nan 0.000 0.450 1559 Q N 1.422 121.213 119.800 -0.015 0.000 2.245 1559 Q HA 0.473 4.814 4.340 0.001 0.000 0.256 1559 Q C -0.742 175.264 176.000 0.011 0.000 0.942 1559 Q CA -0.646 55.155 55.803 -0.004 0.000 0.896 1559 Q CB 1.358 30.102 28.738 0.010 0.000 1.272 1559 Q HN 0.131 nan 8.270 nan 0.000 0.442 1560 R N 1.078 121.593 120.500 0.024 0.000 2.628 1560 R HA 0.447 4.788 4.340 0.001 0.000 0.288 1560 R C -0.980 175.389 176.300 0.114 0.000 0.980 1560 R CA -0.616 55.495 56.100 0.019 0.000 0.891 1560 R CB 2.029 32.236 30.300 -0.154 0.000 1.188 1560 R HN 0.576 nan 8.270 nan 0.000 0.450 1561 T N 3.061 117.662 114.554 0.079 0.000 2.856 1561 T HA 0.483 4.834 4.350 0.001 0.000 0.292 1561 T C -0.352 174.406 174.700 0.096 0.000 0.980 1561 T CA 0.085 62.273 62.100 0.147 0.000 1.091 1561 T CB 0.266 69.189 68.868 0.092 0.000 0.936 1561 T HN 0.163 nan 8.240 nan 0.000 0.503 1562 F N 2.639 122.629 119.950 0.066 0.000 2.427 1562 F HA 0.507 5.034 4.527 0.001 0.000 0.348 1562 F C 0.223 176.125 175.800 0.171 0.000 1.125 1562 F CA -1.203 56.867 58.000 0.117 0.000 0.989 1562 F CB 0.790 39.840 39.000 0.083 0.000 1.165 1562 F HN 0.357 nan 8.300 nan 0.000 0.442 1563 I N 2.707 123.410 120.570 0.222 0.000 2.336 1563 I HA 0.382 4.553 4.170 0.001 0.000 0.292 1563 I C -0.068 176.203 176.117 0.258 0.000 0.991 1563 I CA -0.336 61.066 61.300 0.170 0.000 1.227 1563 I CB 1.534 39.534 38.000 -0.000 0.000 1.366 1563 I HN 0.482 nan 8.210 nan 0.000 0.466 1564 S N 7.820 123.712 115.700 0.320 0.000 2.571 1564 S HA 0.545 5.016 4.470 0.001 0.000 0.284 1564 S C -2.706 171.993 174.600 0.165 0.000 1.128 1564 S CA -1.496 56.881 58.200 0.296 0.000 0.970 1564 S CB 1.819 65.224 63.200 0.341 0.000 1.039 1564 S HN 0.170 nan 8.310 nan 0.000 0.485 1565 P HA 0.107 nan 4.420 nan 0.000 0.265 1565 P C 0.983 178.168 177.300 -0.191 0.000 1.187 1565 P CA 0.001 62.887 63.100 -0.356 0.000 0.766 1565 P CB 0.307 31.826 31.700 -0.300 0.000 0.820 1566 I N 3.494 123.913 120.570 -0.251 0.000 2.423 1566 I HA -0.306 3.864 4.170 0.001 0.000 0.254 1566 I C 1.916 177.990 176.117 -0.071 0.000 1.151 1566 I CA 1.565 62.788 61.300 -0.128 0.000 1.421 1566 I CB -0.047 37.873 38.000 -0.133 0.000 1.079 1566 I HN 0.362 nan 8.210 nan 0.000 0.431 1567 K N -0.135 120.208 120.400 -0.095 0.000 2.209 1567 K HA -0.145 4.176 4.320 0.001 0.000 0.204 1567 K C 1.815 178.413 176.600 -0.002 0.000 1.048 1567 K CA 1.738 58.000 56.287 -0.042 0.000 0.940 1567 K CB -0.772 31.685 32.500 -0.072 0.000 0.729 1567 K HN 0.378 nan 8.250 nan 0.000 0.451 1568 c N 0.959 119.562 118.600 0.004 0.000 2.562 1568 c HA 0.215 4.785 4.570 0.001 0.000 0.266 1568 c C 2.494 176.611 174.090 0.045 0.000 1.382 1568 c CA -0.350 56.011 56.329 0.053 0.000 1.742 1568 c CB -1.114 41.441 42.510 0.075 0.000 1.812 1568 c HN 0.522 nan 8.230 nan 0.000 0.559 1569 R N 1.766 122.290 120.500 0.041 0.000 2.091 1569 R HA -0.190 4.150 4.340 0.001 0.000 0.238 1569 R C 2.193 178.505 176.300 0.021 0.000 1.136 1569 R CA 1.765 57.898 56.100 0.056 0.000 0.959 1569 R CB -0.244 30.089 30.300 0.055 0.000 0.856 1569 R HN 0.650 nan 8.270 nan 0.000 0.437 1570 E N -0.764 119.448 120.200 0.021 0.000 2.107 1570 E HA -0.140 4.211 4.350 0.001 0.000 0.191 1570 E C 1.642 178.249 176.600 0.011 0.000 0.982 1570 E CA 0.979 57.388 56.400 0.014 0.000 0.809 1570 E CB 0.001 29.714 29.700 0.022 0.000 0.756 1570 E HN 0.474 nan 8.360 nan 0.000 0.459 1571 A N 0.667 123.512 122.820 0.042 0.000 1.930 1571 A HA -0.032 4.289 4.320 0.001 0.000 0.215 1571 A C 2.101 179.675 177.584 -0.017 0.000 1.176 1571 A CA 0.562 52.663 52.037 0.106 0.000 0.632 1571 A CB -0.385 18.769 19.000 0.257 0.000 0.819 1571 A HN 0.262 nan 8.150 nan 0.000 0.445 1572 L N -0.867 120.255 121.223 -0.168 0.000 2.072 1572 L HA -0.123 4.217 4.340 0.001 0.000 0.205 1572 L C 0.798 177.477 176.870 -0.318 0.000 1.079 1572 L CA 1.281 55.851 54.840 -0.449 0.000 0.752 1572 L CB -0.372 41.406 42.059 -0.470 0.000 0.906 1572 L HN 0.544 nan 8.230 nan 0.000 0.436 1573 K N 0.354 120.649 120.400 -0.175 0.000 3.213 1573 K HA -0.216 4.105 4.320 0.001 0.000 0.266 1573 K C -0.515 176.008 176.600 -0.128 0.000 0.911 1573 K CA 0.785 57.006 56.287 -0.109 0.000 0.684 1573 K CB -2.725 29.733 32.500 -0.071 0.000 1.402 1573 K HN 0.232 nan 8.250 nan 0.000 0.465 1574 L N 0.811 121.889 121.223 -0.242 0.000 2.453 1574 L HA 0.177 4.518 4.340 0.001 0.000 0.272 1574 L C 0.787 177.639 176.870 -0.031 0.000 1.182 1574 L CA 0.323 54.990 54.840 -0.288 0.000 0.858 1574 L CB 0.469 42.049 42.059 -0.797 0.000 1.120 1574 L HN 0.363 nan 8.230 nan 0.000 0.474 1575 E N 1.814 122.072 120.200 0.098 0.000 2.256 1575 E HA 0.289 4.639 4.350 0.001 0.000 0.267 1575 E C -1.069 175.603 176.600 0.121 0.000 0.892 1575 E CA -0.855 55.605 56.400 0.099 0.000 0.775 1575 E CB 2.190 31.934 29.700 0.074 0.000 1.207 1575 E HN 0.494 nan 8.360 nan 0.000 0.420 1576 E N 1.543 121.792 120.200 0.081 0.000 2.414 1576 E HA -0.034 4.317 4.350 0.001 0.000 0.263 1576 E C -0.277 176.341 176.600 0.030 0.000 1.000 1576 E CA 0.721 57.155 56.400 0.057 0.000 0.914 1576 E CB 0.366 30.089 29.700 0.039 0.000 0.948 1576 E HN 0.452 nan 8.360 nan 0.000 0.444 1577 K N 0.400 120.795 120.400 -0.008 0.000 3.533 1577 K HA -0.165 4.156 4.320 0.001 0.000 0.289 1577 K C -0.419 176.103 176.600 -0.129 0.000 1.317 1577 K CA 0.836 57.084 56.287 -0.064 0.000 0.967 1577 K CB -0.741 31.748 32.500 -0.018 0.000 1.323 1577 K HN 0.383 nan 8.250 nan 0.000 0.477 1578 K N 1.173 121.523 120.400 -0.083 0.000 2.087 1578 K HA 0.323 4.644 4.320 0.001 0.000 0.255 1578 K C -0.075 176.296 176.600 -0.381 0.000 0.988 1578 K CA -0.567 55.637 56.287 -0.139 0.000 0.915 1578 K CB 0.869 33.325 32.500 -0.074 0.000 1.043 1578 K HN 0.122 nan 8.250 nan 0.000 0.457 1579 H N 1.007 119.848 119.070 -0.382 0.000 2.472 1579 H HA 0.317 4.874 4.556 0.001 0.000 0.338 1579 H C -0.903 174.113 175.328 -0.520 0.000 1.133 1579 H CA -0.414 55.446 56.048 -0.314 0.000 1.216 1579 H CB 1.086 30.700 29.762 -0.247 0.000 1.497 1579 H HN 0.452 nan 8.280 nan 0.000 0.500 1580 Y N 0.712 121.134 120.300 0.204 0.000 2.524 1580 Y HA 0.183 4.734 4.550 0.001 0.000 0.347 1580 Y C -0.471 175.642 175.900 0.355 0.000 1.005 1580 Y CA -1.053 57.175 58.100 0.213 0.000 1.025 1580 Y CB 1.863 40.334 38.460 0.018 0.000 1.275 1580 Y HN 0.380 nan 8.280 nan 0.000 0.460 1581 L N 4.362 125.909 121.223 0.540 0.000 2.264 1581 L HA 0.651 4.991 4.340 0.001 0.000 0.289 1581 L C -1.177 175.905 176.870 0.354 0.000 1.044 1581 L CA -0.421 54.715 54.840 0.495 0.000 0.807 1581 L CB 0.285 42.513 42.059 0.281 0.000 1.192 1581 L HN 0.620 nan 8.230 nan 0.000 0.425 1582 M N 6.225 126.049 119.600 0.373 0.000 2.165 1582 M HA 0.377 4.858 4.480 0.001 0.000 0.283 1582 M C -1.628 174.898 176.300 0.376 0.000 0.978 1582 M CA -0.404 55.074 55.300 0.297 0.000 0.948 1582 M CB 1.537 34.275 32.600 0.231 0.000 1.599 1582 M HN 0.748 nan 8.290 nan 0.000 0.450 1583 W N 2.278 123.662 121.300 0.141 0.000 2.781 1583 W HA 0.980 5.640 4.660 0.001 0.000 0.345 1583 W C -0.728 175.615 176.519 -0.292 0.000 1.085 1583 W CA -0.748 56.455 57.345 -0.237 0.000 1.198 1583 W CB 1.020 30.370 29.460 -0.183 0.000 1.423 1583 W HN 0.745 nan 8.180 nan 0.000 0.532 1584 G N 1.017 109.502 108.800 -0.524 0.000 2.650 1584 G HA2 0.603 4.564 3.960 0.001 0.000 0.310 1584 G HA3 0.603 4.564 3.960 0.001 0.000 0.310 1584 G C -1.880 172.979 174.900 -0.069 0.000 1.270 1584 G CA -1.263 43.754 45.100 -0.138 0.000 0.810 1584 G HN 0.748 nan 8.290 nan 0.000 0.493 1585 L N 0.489 121.834 121.223 0.204 0.000 2.358 1585 L HA 0.433 4.773 4.340 0.001 0.000 0.268 1585 L C 1.836 178.952 176.870 0.410 0.000 1.032 1585 L CA -0.371 54.612 54.840 0.240 0.000 0.805 1585 L CB 1.938 44.110 42.059 0.188 0.000 1.253 1585 L HN 0.716 nan 8.230 nan 0.000 0.452 1586 S N -1.541 114.357 115.700 0.331 0.000 2.489 1586 S HA -0.102 4.369 4.470 0.001 0.000 0.228 1586 S C 1.433 176.191 174.600 0.263 0.000 0.995 1586 S CA 0.646 59.037 58.200 0.317 0.000 0.934 1586 S CB -0.248 63.010 63.200 0.096 0.000 0.771 1586 S HN 0.762 nan 8.310 nan 0.000 0.522 1587 S N 0.599 116.446 115.700 0.245 0.000 2.548 1587 S HA 0.164 4.635 4.470 0.001 0.000 0.215 1587 S C 0.701 175.456 174.600 0.259 0.000 0.976 1587 S CA -0.046 58.274 58.200 0.199 0.000 0.908 1587 S CB -0.165 63.114 63.200 0.131 0.000 0.781 1587 S HN 0.328 nan 8.310 nan 0.000 0.519 1588 D N 1.010 121.594 120.400 0.308 0.000 2.328 1588 D HA 0.297 4.938 4.640 0.001 0.000 0.226 1588 D C -0.104 176.246 176.300 0.083 0.000 1.066 1588 D CA -0.071 54.033 54.000 0.174 0.000 0.861 1588 D CB -0.140 40.741 40.800 0.135 0.000 0.912 1588 D HN 0.394 nan 8.370 nan 0.000 0.521 1589 F N -0.429 119.507 119.950 -0.024 0.000 2.390 1589 F HA 0.217 4.745 4.527 0.001 0.000 0.307 1589 F C 0.816 176.731 175.800 0.190 0.000 1.227 1589 F CA -0.333 57.625 58.000 -0.070 0.000 1.179 1589 F CB 0.877 39.784 39.000 -0.155 0.000 1.280 1589 F HN -0.091 nan 8.300 nan 0.000 0.548 1590 W N 1.477 122.795 121.300 0.030 0.000 2.525 1590 W HA 0.433 5.094 4.660 0.001 0.000 0.294 1590 W C -0.690 175.826 176.519 -0.005 0.000 1.044 1590 W CA -0.424 56.913 57.345 -0.014 0.000 1.169 1590 W CB 1.191 30.606 29.460 -0.076 0.000 1.042 1590 W HN 0.773 nan 8.180 nan 0.000 0.316 1591 G N 2.703 111.361 108.800 -0.237 0.000 2.484 1591 G HA2 -0.179 3.781 3.960 0.001 0.000 0.685 1591 G HA3 -0.179 3.781 3.960 0.001 0.000 0.685 1591 G C -0.737 174.106 174.900 -0.096 0.000 1.294 1591 G CA -0.748 44.231 45.100 -0.201 0.000 0.879 1591 G HN 0.283 nan 8.290 nan 0.000 0.646 1592 E N 0.250 120.391 120.200 -0.099 0.000 2.349 1592 E HA 0.409 4.760 4.350 0.001 0.000 0.201 1592 E C 1.250 177.829 176.600 -0.036 0.000 1.087 1592 E CA 0.402 56.759 56.400 -0.072 0.000 1.128 1592 E CB -0.571 29.078 29.700 -0.084 0.000 1.188 1592 E HN 0.652 nan 8.360 nan 0.000 0.445 1593 K N -2.407 117.992 120.400 -0.003 0.000 3.582 1593 K HA -0.123 4.198 4.320 0.001 0.000 0.257 1593 K C -1.513 175.103 176.600 0.026 0.000 1.145 1593 K CA 0.846 57.150 56.287 0.028 0.000 1.005 1593 K CB -1.753 30.758 32.500 0.018 0.000 1.309 1593 K HN 0.231 nan 8.250 nan 0.000 0.540 1594 P HA 0.049 nan 4.420 nan 0.000 0.216 1594 P C -0.007 177.302 177.300 0.015 0.000 1.151 1594 P CA 0.863 63.968 63.100 0.009 0.000 0.863 1594 P CB 0.138 31.836 31.700 -0.004 0.000 0.790 1595 N N 0.414 119.117 118.700 0.004 0.000 2.920 1595 N HA 0.194 4.935 4.740 0.001 0.000 0.310 1595 N C -0.301 175.225 175.510 0.028 0.000 1.384 1595 N CA -0.308 52.749 53.050 0.011 0.000 1.083 1595 N CB -0.365 38.116 38.487 -0.009 0.000 1.389 1595 N HN 0.098 nan 8.380 nan 0.000 0.521 1596 L N 0.236 121.492 121.223 0.056 0.000 2.436 1596 L HA 0.423 4.764 4.340 0.001 0.000 0.265 1596 L C 0.105 177.039 176.870 0.107 0.000 1.168 1596 L CA 0.455 55.351 54.840 0.092 0.000 0.815 1596 L CB 0.798 42.937 42.059 0.134 0.000 1.109 1596 L HN 0.067 nan 8.230 nan 0.000 0.462 1597 S N 1.396 117.160 115.700 0.107 0.000 2.579 1597 S HA 0.585 5.056 4.470 0.001 0.000 0.272 1597 S C -1.695 172.839 174.600 -0.110 0.000 1.141 1597 S CA -0.417 57.825 58.200 0.070 0.000 0.843 1597 S CB 1.236 64.514 63.200 0.129 0.000 1.122 1597 S HN 0.344 nan 8.310 nan 0.000 0.468 1598 Y N 1.151 121.152 120.300 -0.499 0.000 2.377 1598 Y HA 0.570 5.121 4.550 0.001 0.000 0.339 1598 Y C -0.146 175.548 175.900 -0.344 0.000 1.011 1598 Y CA -1.190 56.491 58.100 -0.698 0.000 1.093 1598 Y CB 0.833 38.449 38.460 -1.407 0.000 1.201 1598 Y HN 0.396 nan 8.280 nan 0.000 0.455 1599 I N 4.805 125.331 120.570 -0.073 0.000 2.336 1599 I HA 0.268 4.439 4.170 0.001 0.000 0.292 1599 I C -0.065 176.133 176.117 0.136 0.000 0.991 1599 I CA -1.176 60.133 61.300 0.016 0.000 1.227 1599 I CB 0.995 38.966 38.000 -0.049 0.000 1.366 1599 I HN 0.506 nan 8.210 nan 0.000 0.466 1600 I N 6.079 126.762 120.570 0.188 0.000 2.308 1600 I HA 0.388 4.558 4.170 0.001 0.000 0.293 1600 I C 0.894 177.103 176.117 0.152 0.000 1.078 1600 I CA 0.240 61.662 61.300 0.202 0.000 1.292 1600 I CB 0.612 38.724 38.000 0.187 0.000 1.423 1600 I HN 0.710 nan 8.210 nan 0.000 0.493 1601 G N 4.617 113.503 108.800 0.143 0.000 3.211 1601 G HA2 0.328 4.289 3.960 0.001 0.000 0.262 1601 G HA3 0.328 4.289 3.960 0.001 0.000 0.262 1601 G C 0.522 175.481 174.900 0.098 0.000 1.352 1601 G CA -0.623 44.542 45.100 0.108 0.000 1.004 1601 G HN 0.642 nan 8.290 nan 0.000 0.559 1602 K N -1.010 119.429 120.400 0.066 0.000 2.280 1602 K HA 0.024 4.345 4.320 0.001 0.000 0.202 1602 K C 0.031 176.669 176.600 0.064 0.000 1.047 1602 K CA 1.513 57.824 56.287 0.039 0.000 0.942 1602 K CB 0.284 32.797 32.500 0.022 0.000 0.739 1602 K HN 0.196 nan 8.250 nan 0.000 0.457 1603 D N 1.506 121.966 120.400 0.099 0.000 2.755 1603 D HA 0.101 4.742 4.640 0.001 0.000 0.257 1603 D C -0.794 175.602 176.300 0.159 0.000 1.291 1603 D CA 0.072 54.153 54.000 0.136 0.000 0.836 1603 D CB 1.075 41.956 40.800 0.135 0.000 1.059 1603 D HN 0.105 nan 8.370 nan 0.000 0.486 1604 T N 0.407 115.039 114.554 0.131 0.000 2.840 1604 T HA 0.125 4.475 4.350 0.001 0.000 0.287 1604 T C -0.463 174.252 174.700 0.025 0.000 0.991 1604 T CA -0.698 61.471 62.100 0.115 0.000 0.964 1604 T CB 1.841 70.814 68.868 0.175 0.000 0.954 1604 T HN 0.110 nan 8.240 nan 0.000 0.438 1605 W N 4.914 125.956 121.300 -0.429 0.000 2.322 1605 W HA 0.536 5.196 4.660 0.001 0.000 0.307 1605 W C -1.519 174.758 176.519 -0.403 0.000 1.220 1605 W CA -0.584 56.374 57.345 -0.645 0.000 1.210 1605 W CB 0.699 29.111 29.460 -1.747 0.000 1.223 1605 W HN 0.342 nan 8.180 nan 0.000 0.511 1606 V N 5.790 125.422 119.914 -0.471 0.000 2.482 1606 V HA 0.305 4.426 4.120 0.001 0.000 0.295 1606 V C -0.538 175.313 176.094 -0.406 0.000 1.026 1606 V CA -0.854 61.230 62.300 -0.361 0.000 0.856 1606 V CB 1.551 33.081 31.823 -0.488 0.000 1.001 1606 V HN 0.552 nan 8.190 nan 0.000 0.424 1607 E N 2.362 122.507 120.200 -0.093 0.000 2.292 1607 E HA 0.430 4.781 4.350 0.001 0.000 0.272 1607 E C -1.255 175.471 176.600 0.211 0.000 0.881 1607 E CA -0.925 55.472 56.400 -0.006 0.000 0.754 1607 E CB 1.905 31.648 29.700 0.072 0.000 1.201 1607 E HN 0.863 nan 8.360 nan 0.000 0.425 1608 H N 4.069 123.176 119.070 0.062 0.000 2.899 1608 H HA 0.066 4.622 4.556 0.001 0.000 0.303 1608 H C -1.312 174.019 175.328 0.005 0.000 1.042 1608 H CA 0.084 56.124 56.048 -0.014 0.000 1.479 1608 H CB 0.363 30.105 29.762 -0.033 0.000 1.493 1608 H HN 0.317 nan 8.280 nan 0.000 0.534 1609 W N 9.174 130.132 121.300 -0.571 0.000 2.283 1609 W HA 0.297 4.958 4.660 0.001 0.000 0.317 1609 W C -2.736 173.388 176.519 -0.658 0.000 1.042 1609 W CA -3.113 53.960 57.345 -0.453 0.000 1.348 1609 W CB 0.869 30.214 29.460 -0.192 0.000 1.216 1609 W HN 0.622 nan 8.180 nan 0.000 0.404 1610 P HA -0.012 nan 4.420 nan 0.000 0.271 1610 P C 0.229 177.521 177.300 -0.013 0.000 1.220 1610 P CA 0.366 63.355 63.100 -0.184 0.000 0.768 1610 P CB 0.863 32.523 31.700 -0.067 0.000 0.848 1611 E N 2.019 122.190 120.200 -0.049 0.000 2.409 1611 E HA -0.078 4.273 4.350 0.001 0.000 0.257 1611 E C 1.297 177.862 176.600 -0.058 0.000 1.150 1611 E CA 0.062 56.395 56.400 -0.112 0.000 0.942 1611 E CB 0.464 30.117 29.700 -0.079 0.000 0.979 1611 E HN 0.443 nan 8.360 nan 0.000 0.447 1612 E N 1.396 121.543 120.200 -0.088 0.000 2.108 1612 E HA -0.278 4.072 4.350 0.001 0.000 0.203 1612 E C 1.191 177.783 176.600 -0.014 0.000 1.022 1612 E CA 2.604 58.977 56.400 -0.044 0.000 0.823 1612 E CB -0.117 29.548 29.700 -0.057 0.000 0.744 1612 E HN 0.597 nan 8.360 nan 0.000 0.456 1613 D N -0.450 119.942 120.400 -0.013 0.000 2.144 1613 D HA -0.180 4.461 4.640 0.001 0.000 0.199 1613 D C 1.578 177.885 176.300 0.012 0.000 0.984 1613 D CA 1.420 55.421 54.000 0.002 0.000 0.834 1613 D CB -0.396 40.407 40.800 0.004 0.000 0.955 1613 D HN 0.375 nan 8.370 nan 0.000 0.465 1614 E N -0.600 119.611 120.200 0.018 0.000 2.216 1614 E HA -0.029 4.322 4.350 0.001 0.000 0.192 1614 E C 1.632 178.250 176.600 0.030 0.000 0.988 1614 E CA 0.547 56.966 56.400 0.032 0.000 0.834 1614 E CB -0.067 29.664 29.700 0.052 0.000 0.772 1614 E HN 0.360 nan 8.360 nan 0.000 0.479 1615 c N 1.375 119.991 118.600 0.026 0.000 2.432 1615 c HA -0.040 4.530 4.570 0.001 0.000 0.282 1615 c C 2.275 176.379 174.090 0.025 0.000 1.388 1615 c CA 0.289 56.636 56.329 0.030 0.000 1.777 1615 c CB -0.492 42.044 42.510 0.043 0.000 1.882 1615 c HN 0.422 nan 8.230 nan 0.000 0.520 1616 Q N 0.708 120.520 119.800 0.020 0.000 2.378 1616 Q HA 0.020 4.361 4.340 0.001 0.000 0.205 1616 Q C 0.411 176.421 176.000 0.016 0.000 0.954 1616 Q CA 0.788 56.601 55.803 0.017 0.000 0.901 1616 Q CB -0.335 28.411 28.738 0.013 0.000 0.981 1616 Q HN 0.680 nan 8.270 nan 0.000 0.483 1617 D N 1.613 122.024 120.400 0.019 0.000 2.357 1617 D HA -0.042 4.599 4.640 0.001 0.000 0.242 1617 D C 0.621 176.931 176.300 0.018 0.000 1.153 1617 D CA -0.015 53.996 54.000 0.018 0.000 0.918 1617 D CB 0.763 41.576 40.800 0.022 0.000 1.181 1617 D HN 0.123 nan 8.370 nan 0.000 0.435 1618 E N 0.882 121.091 120.200 0.015 0.000 2.359 1618 E HA 0.020 4.371 4.350 0.001 0.000 0.187 1618 E C 0.137 176.745 176.600 0.014 0.000 1.081 1618 E CA 0.206 56.614 56.400 0.014 0.000 0.929 1618 E CB 0.264 29.971 29.700 0.011 0.000 1.086 1618 E HN 0.314 nan 8.360 nan 0.000 0.462 1619 E N 0.188 120.398 120.200 0.017 0.000 2.421 1619 E HA 0.111 4.462 4.350 0.001 0.000 0.209 1619 E C 1.003 177.614 176.600 0.019 0.000 0.871 1619 E CA 0.134 56.545 56.400 0.018 0.000 1.064 1619 E CB 0.467 30.180 29.700 0.021 0.000 1.075 1619 E HN 0.135 nan 8.360 nan 0.000 0.513 1620 N N 0.217 118.930 118.700 0.021 0.000 2.299 1620 N HA 0.026 4.767 4.740 0.001 0.000 0.187 1620 N C 1.131 176.646 175.510 0.009 0.000 1.099 1620 N CA 0.197 53.257 53.050 0.016 0.000 0.867 1620 N CB 0.324 38.825 38.487 0.025 0.000 0.974 1620 N HN 0.183 nan 8.380 nan 0.000 0.477 1621 Q N 0.809 120.616 119.800 0.013 0.000 2.077 1621 Q HA -0.152 4.189 4.340 0.001 0.000 0.206 1621 Q C 1.709 177.714 176.000 0.008 0.000 0.989 1621 Q CA 1.569 57.380 55.803 0.013 0.000 0.853 1621 Q CB 0.016 28.763 28.738 0.014 0.000 0.907 1621 Q HN 0.083 nan 8.270 nan 0.000 0.418 1622 K N 0.607 121.010 120.400 0.005 0.000 2.057 1622 K HA -0.190 4.131 4.320 0.001 0.000 0.207 1622 K C 1.967 178.561 176.600 -0.011 0.000 1.049 1622 K CA 1.420 57.708 56.287 0.002 0.000 0.931 1622 K CB -0.003 32.499 32.500 0.004 0.000 0.714 1622 K HN 0.150 nan 8.250 nan 0.000 0.440 1623 Q N -0.878 118.908 119.800 -0.023 0.000 2.096 1623 Q HA -0.109 4.232 4.340 0.001 0.000 0.197 1623 Q C 1.982 177.920 176.000 -0.103 0.000 0.964 1623 Q CA 1.493 57.259 55.803 -0.062 0.000 0.838 1623 Q CB -0.004 28.696 28.738 -0.064 0.000 0.906 1623 Q HN 0.399 nan 8.270 nan 0.000 0.444 1624 c N 0.709 119.273 118.600 -0.060 0.000 2.435 1624 c HA -0.060 4.510 4.570 0.001 0.000 0.279 1624 c C 2.451 176.547 174.090 0.010 0.000 1.321 1624 c CA 0.592 56.904 56.329 -0.029 0.000 1.752 1624 c CB -0.633 41.901 42.510 0.040 0.000 1.959 1624 c HN 0.572 nan 8.230 nan 0.000 0.500 1625 Q N 0.112 119.919 119.800 0.012 0.000 2.311 1625 Q HA -0.105 4.235 4.340 0.001 0.000 0.203 1625 Q C 1.400 177.415 176.000 0.025 0.000 0.954 1625 Q CA 0.878 56.700 55.803 0.032 0.000 0.885 1625 Q CB -0.031 28.724 28.738 0.029 0.000 0.963 1625 Q HN 0.614 nan 8.270 nan 0.000 0.471 1626 D N 0.273 120.668 120.400 -0.008 0.000 2.162 1626 D HA -0.042 4.599 4.640 0.001 0.000 0.203 1626 D C 1.686 177.973 176.300 -0.023 0.000 0.967 1626 D CA 0.772 54.768 54.000 -0.008 0.000 0.840 1626 D CB 0.206 40.990 40.800 -0.027 0.000 0.972 1626 D HN 0.199 nan 8.370 nan 0.000 0.482 1627 L N 0.078 121.213 121.223 -0.147 0.000 2.179 1627 L HA 0.076 4.417 4.340 0.001 0.000 0.208 1627 L C 2.452 179.338 176.870 0.027 0.000 1.096 1627 L CA 0.960 55.605 54.840 -0.325 0.000 0.779 1627 L CB -0.391 41.056 42.059 -1.021 0.000 0.922 1627 L HN 0.045 nan 8.230 nan 0.000 0.443 1628 G N -0.238 108.641 108.800 0.132 0.000 2.402 1628 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 1628 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 1628 G C 1.733 176.743 174.900 0.183 0.000 1.162 1628 G CA 0.772 46.010 45.100 0.231 0.000 0.777 1628 G HN 0.435 nan 8.290 nan 0.000 0.539 1629 A N 0.207 123.108 122.820 0.134 0.000 1.970 1629 A HA 0.212 4.533 4.320 0.001 0.000 0.216 1629 A C 2.081 179.741 177.584 0.127 0.000 1.170 1629 A CA 1.234 53.339 52.037 0.113 0.000 0.645 1629 A CB -0.440 18.609 19.000 0.082 0.000 0.816 1629 A HN 0.411 nan 8.150 nan 0.000 0.447 1630 F N 1.448 121.405 119.950 0.012 0.000 2.102 1630 F HA -0.167 4.361 4.527 0.001 0.000 0.298 1630 F C 2.335 178.168 175.800 0.055 0.000 1.105 1630 F CA 2.378 60.377 58.000 -0.001 0.000 1.239 1630 F CB -0.607 38.364 39.000 -0.048 0.000 0.991 1630 F HN 0.185 nan 8.300 nan 0.000 0.474 1631 T N 0.224 114.871 114.554 0.155 0.000 2.737 1631 T HA -0.176 4.174 4.350 0.001 0.000 0.265 1631 T C 1.698 176.398 174.700 0.000 0.000 1.038 1631 T CA 1.725 63.889 62.100 0.105 0.000 1.144 1631 T CB -0.364 68.735 68.868 0.385 0.000 0.866 1631 T HN 0.364 nan 8.240 nan 0.000 0.434 1632 E N 0.917 121.152 120.200 0.057 0.000 2.049 1632 E HA -0.160 4.191 4.350 0.001 0.000 0.198 1632 E C 2.462 179.080 176.600 0.030 0.000 1.007 1632 E CA 1.475 57.901 56.400 0.043 0.000 0.809 1632 E CB -0.246 29.495 29.700 0.068 0.000 0.749 1632 E HN 0.331 nan 8.360 nan 0.000 0.450 1633 S N -0.335 115.388 115.700 0.039 0.000 2.399 1633 S HA -0.136 4.335 4.470 0.001 0.000 0.231 1633 S C 1.890 176.502 174.600 0.019 0.000 1.022 1633 S CA 0.899 59.180 58.200 0.136 0.000 0.983 1633 S CB -0.001 63.213 63.200 0.023 0.000 0.803 1633 S HN 0.128 nan 8.310 nan 0.000 0.480 1634 M N 0.727 120.192 119.600 -0.226 0.000 2.200 1634 M HA 0.037 4.518 4.480 0.001 0.000 0.265 1634 M C 2.149 178.379 176.300 -0.117 0.000 1.066 1634 M CA 0.903 56.033 55.300 -0.285 0.000 1.127 1634 M CB -1.249 30.992 32.600 -0.597 0.000 1.379 1634 M HN 0.228 nan 8.290 nan 0.000 0.420 1635 V N -0.372 119.499 119.914 -0.072 0.000 2.255 1635 V HA -0.192 3.929 4.120 0.001 0.000 0.243 1635 V C 2.497 178.565 176.094 -0.042 0.000 1.038 1635 V CA 1.308 63.590 62.300 -0.030 0.000 1.008 1635 V CB -0.703 31.116 31.823 -0.007 0.000 0.645 1635 V HN 0.156 nan 8.190 nan 0.000 0.449 1636 V N -0.462 119.413 119.914 -0.065 0.000 2.216 1636 V HA -0.250 3.871 4.120 0.001 0.000 0.242 1636 V C 2.160 178.140 176.094 -0.190 0.000 1.042 1636 V CA 2.466 64.660 62.300 -0.176 0.000 0.991 1636 V CB -0.868 30.771 31.823 -0.307 0.000 0.633 1636 V HN 0.422 nan 8.190 nan 0.000 0.449 1637 F N 0.669 120.579 119.950 -0.067 0.000 2.171 1637 F HA 0.242 4.770 4.527 0.001 0.000 0.300 1637 F C 1.790 177.549 175.800 -0.070 0.000 1.090 1637 F CA 1.420 59.380 58.000 -0.066 0.000 1.293 1637 F CB -0.874 38.081 39.000 -0.075 0.000 1.013 1637 F HN 0.446 nan 8.300 nan 0.000 0.486 1638 G N -0.870 107.980 108.800 0.083 0.000 2.525 1638 G HA2 -0.288 3.673 3.960 0.001 0.000 0.248 1638 G HA3 -0.288 3.673 3.960 0.001 0.000 0.248 1638 G C -0.845 174.050 174.900 -0.008 0.000 1.238 1638 G CA -0.421 44.687 45.100 0.013 0.000 0.926 1638 G HN 0.313 nan 8.290 nan 0.000 0.574 1639 c N 2.195 120.781 118.600 -0.023 0.000 3.445 1639 c HA 0.555 5.125 4.570 0.001 0.000 0.213 1639 c C -0.910 173.164 174.090 -0.028 0.000 1.319 1639 c CA -0.682 55.619 56.329 -0.047 0.000 1.402 1639 c CB -0.710 41.753 42.510 -0.079 0.000 1.819 1639 c HN 0.814 nan 8.230 nan 0.000 0.491 1640 P HA 0.000 nan 4.420 nan 0.000 0.216 1640 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 1640 P CB 0.000 31.706 31.700 0.010 0.000 0.726