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 2a74_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 NcFIQKSDDK 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 0.000 174.728 174.700 0.046 0.000 1.109 1335 T CA 0.000 62.127 62.100 0.046 0.000 1.349 1335 T CB 0.000 68.889 68.868 0.035 0.000 0.612 1336 c N 3.114 121.750 118.600 0.060 0.000 0.676 1336 c HA -0.102 4.468 4.570 -0.000 0.000 0.540 1336 c C 1.748 175.874 174.090 0.059 0.000 1.215 1336 c CA 1.089 57.465 56.329 0.078 0.000 2.005 1336 c CB -2.375 40.201 42.510 0.111 0.000 3.532 1336 c HN 1.011 nan 8.230 nan 0.000 0.561 1337 N N 0.677 119.403 118.700 0.044 0.000 2.299 1337 N HA 0.024 4.764 4.740 -0.000 0.000 0.187 1337 N C 1.271 176.750 175.510 -0.052 0.000 1.099 1337 N CA 0.239 53.289 53.050 -0.001 0.000 0.867 1337 N CB 0.139 38.621 38.487 -0.009 0.000 0.974 1337 N HN 0.683 nan 8.380 nan 0.000 0.477 1338 K N -0.660 119.736 120.400 -0.007 0.000 2.348 1338 K HA 0.190 4.510 4.320 -0.000 0.000 0.194 1338 K C -0.654 175.712 176.600 -0.390 0.000 1.052 1338 K CA 0.313 56.498 56.287 -0.170 0.000 1.004 1338 K CB 0.467 32.983 32.500 0.027 0.000 0.873 1338 K HN 0.151 nan 8.250 nan 0.000 0.523 1339 F N 1.497 121.465 119.950 0.030 0.000 2.556 1339 F HA 0.243 4.770 4.527 -0.000 0.000 0.314 1339 F C -0.277 175.546 175.800 0.038 0.000 1.106 1339 F CA -1.318 56.726 58.000 0.073 0.000 0.911 1339 F CB 1.572 40.643 39.000 0.118 0.000 1.190 1339 F HN -0.217 nan 8.300 nan 0.000 0.448 1340 D N 3.295 123.806 120.400 0.185 0.000 2.308 1340 D HA 0.380 5.020 4.640 -0.000 0.000 0.251 1340 D C -0.890 175.511 176.300 0.169 0.000 1.127 1340 D CA -0.026 54.057 54.000 0.139 0.000 0.876 1340 D CB 1.906 42.757 40.800 0.085 0.000 1.176 1340 D HN 0.224 nan 8.370 nan 0.000 0.446 1341 L N 2.242 123.536 121.223 0.117 0.000 2.385 1341 L HA 0.402 4.742 4.340 -0.000 0.000 0.273 1341 L C -0.874 176.026 176.870 0.050 0.000 0.990 1341 L CA -0.602 54.285 54.840 0.078 0.000 0.821 1341 L CB 1.593 43.684 42.059 0.053 0.000 1.279 1341 L HN 0.330 nan 8.230 nan 0.000 0.412 1342 K N 4.565 124.984 120.400 0.032 0.000 2.471 1342 K HA 0.800 5.120 4.320 -0.000 0.000 0.252 1342 K C -2.171 174.423 176.600 -0.009 0.000 0.938 1342 K CA -0.640 55.658 56.287 0.018 0.000 0.796 1342 K CB 2.031 34.541 32.500 0.017 0.000 1.161 1342 K HN 0.402 nan 8.250 nan 0.000 0.425 1343 V N 3.157 123.065 119.914 -0.010 0.000 2.531 1343 V HA 0.490 4.610 4.120 -0.000 0.000 0.301 1343 V C -0.510 175.549 176.094 -0.059 0.000 1.034 1343 V CA -0.610 61.656 62.300 -0.056 0.000 0.865 1343 V CB 1.727 33.538 31.823 -0.020 0.000 0.995 1343 V HN 1.018 nan 8.190 nan 0.000 0.424 1344 T N 2.106 116.580 114.554 -0.132 0.000 2.908 1344 T HA 0.847 5.197 4.350 -0.000 0.000 0.290 1344 T C -0.930 173.637 174.700 -0.221 0.000 1.034 1344 T CA -0.719 61.310 62.100 -0.118 0.000 1.010 1344 T CB 2.277 71.093 68.868 -0.086 0.000 1.068 1344 T HN 0.438 nan 8.240 nan 0.000 0.481 1345 I N 1.295 121.775 120.570 -0.151 0.000 2.447 1345 I HA 0.531 4.701 4.170 -0.000 0.000 0.287 1345 I C -0.932 175.116 176.117 -0.116 0.000 1.023 1345 I CA -0.537 60.651 61.300 -0.187 0.000 1.083 1345 I CB 1.256 39.185 38.000 -0.118 0.000 1.245 1345 I HN 0.704 nan 8.210 nan 0.000 0.434 1346 K N 6.985 127.313 120.400 -0.120 0.000 2.400 1346 K HA 0.643 4.963 4.320 -0.000 0.000 0.246 1346 K C -2.779 173.784 176.600 -0.062 0.000 0.995 1346 K CA -1.941 54.300 56.287 -0.076 0.000 0.840 1346 K CB 1.488 33.950 32.500 -0.065 0.000 1.293 1346 K HN 0.200 nan 8.250 nan 0.000 0.445 1347 P HA 0.091 nan 4.420 nan 0.000 0.276 1347 P C -1.031 176.264 177.300 -0.009 0.000 1.230 1347 P CA -0.247 62.847 63.100 -0.009 0.000 0.776 1347 P CB 0.786 32.486 31.700 0.001 0.000 0.888 1348 A N 5.215 128.038 122.820 0.005 0.000 2.351 1348 A HA 0.497 4.817 4.320 -0.000 0.000 0.257 1348 A C -1.390 176.205 177.584 0.017 0.000 1.087 1348 A CA -0.847 51.195 52.037 0.008 0.000 0.798 1348 A CB -1.445 17.567 19.000 0.020 0.000 1.033 1348 A HN 0.485 nan 8.150 nan 0.000 0.488 1360 N N 1.286 120.023 118.700 0.061 0.000 2.714 1360 N HA -0.155 4.585 4.740 -0.000 0.000 0.252 1360 N C -0.907 174.729 175.510 0.210 0.000 1.014 1360 N CA 1.388 54.504 53.050 0.110 0.000 0.735 1360 N CB -0.324 38.216 38.487 0.089 0.000 0.924 1360 N HN 0.739 nan 8.380 nan 0.000 0.540 1361 T N 1.215 115.887 114.554 0.196 0.000 2.902 1361 T HA 0.251 4.601 4.350 -0.000 0.000 0.301 1361 T C 0.784 175.561 174.700 0.128 0.000 1.012 1361 T CA 0.481 62.700 62.100 0.199 0.000 1.151 1361 T CB 0.829 69.823 68.868 0.211 0.000 0.946 1361 T HN 0.185 nan 8.240 nan 0.000 0.542 1362 M N 2.596 122.251 119.600 0.093 0.000 2.658 1362 M HA 0.545 5.025 4.480 -0.000 0.000 0.295 1362 M C -0.841 175.404 176.300 -0.092 0.000 1.248 1362 M CA -0.859 54.439 55.300 -0.004 0.000 0.843 1362 M CB 2.269 34.847 32.600 -0.036 0.000 1.749 1362 M HN 0.389 nan 8.290 nan 0.000 0.464 1363 I N 2.197 122.688 120.570 -0.132 0.000 2.354 1363 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 1363 I C -1.127 174.805 176.117 -0.308 0.000 0.989 1363 I CA -0.828 60.356 61.300 -0.194 0.000 1.188 1363 I CB 1.523 39.444 38.000 -0.131 0.000 1.342 1363 I HN 0.393 nan 8.210 nan 0.000 0.457 1364 L N 7.235 128.159 121.223 -0.497 0.000 2.280 1364 L HA 0.450 4.790 4.340 -0.000 0.000 0.287 1364 L C -0.336 176.186 176.870 -0.580 0.000 1.023 1364 L CA 0.119 54.560 54.840 -0.666 0.000 0.819 1364 L CB 1.078 42.547 42.059 -0.984 0.000 1.212 1364 L HN 0.604 nan 8.230 nan 0.000 0.420 1365 E N 5.084 125.051 120.200 -0.387 0.000 2.171 1365 E HA 0.548 4.898 4.350 -0.000 0.000 0.271 1365 E C -1.418 175.061 176.600 -0.203 0.000 0.916 1365 E CA -0.597 55.655 56.400 -0.247 0.000 0.774 1365 E CB 1.310 30.917 29.700 -0.155 0.000 1.128 1365 E HN 0.692 nan 8.360 nan 0.000 0.403 1366 I N 4.560 125.050 120.570 -0.135 0.000 2.411 1366 I HA 0.306 4.476 4.170 -0.000 0.000 0.284 1366 I C -0.984 175.115 176.117 -0.031 0.000 1.012 1366 I CA -0.728 60.522 61.300 -0.084 0.000 1.119 1366 I CB 1.462 39.424 38.000 -0.064 0.000 1.261 1366 I HN 0.533 nan 8.210 nan 0.000 0.448 1367 c N 4.072 122.663 118.600 -0.015 0.000 2.298 1367 c HA 0.709 5.279 4.570 -0.000 0.000 0.323 1367 c C 0.522 174.639 174.090 0.044 0.000 1.284 1367 c CA -0.374 55.963 56.329 0.014 0.000 1.577 1367 c CB 1.106 43.622 42.510 0.009 0.000 2.249 1367 c HN 0.750 nan 8.230 nan 0.000 0.497 1368 T N 3.597 118.196 114.554 0.074 0.000 2.906 1368 T HA 0.686 5.036 4.350 -0.000 0.000 0.295 1368 T C -1.045 173.761 174.700 0.176 0.000 1.061 1368 T CA -0.517 61.666 62.100 0.139 0.000 1.000 1368 T CB 1.129 70.087 68.868 0.150 0.000 1.103 1368 T HN 0.831 nan 8.240 nan 0.000 0.486 1369 R N 2.790 123.425 120.500 0.226 0.000 2.604 1369 R HA 0.344 4.684 4.340 -0.000 0.000 0.281 1369 R C -1.965 174.453 176.300 0.197 0.000 1.020 1369 R CA -0.671 55.540 56.100 0.186 0.000 0.899 1369 R CB 1.550 31.909 30.300 0.098 0.000 1.205 1369 R HN 0.725 nan 8.270 nan 0.000 0.450 1370 Y N 3.240 123.529 120.300 -0.018 0.000 2.316 1370 Y HA 0.294 4.844 4.550 -0.000 0.000 0.331 1370 Y C -0.100 175.708 175.900 -0.154 0.000 1.083 1370 Y CA -0.261 57.667 58.100 -0.287 0.000 1.206 1370 Y CB 0.875 39.188 38.460 -0.244 0.000 1.195 1370 Y HN 0.439 nan 8.280 nan 0.000 0.497 1371 R N 4.942 124.978 120.500 -0.773 0.000 2.870 1371 R HA 0.465 4.805 4.340 -0.000 0.000 0.254 1371 R C -0.189 175.732 176.300 -0.632 0.000 1.392 1371 R CA 0.020 55.817 56.100 -0.504 0.000 1.322 1371 R CB -0.200 29.892 30.300 -0.346 0.000 1.205 1371 R HN 0.883 nan 8.270 nan 0.000 0.597 1372 G N 0.123 108.684 108.800 -0.399 0.000 2.548 1372 G HA2 0.046 4.006 3.960 -0.000 0.000 0.301 1372 G HA3 0.046 4.006 3.960 -0.000 0.000 0.301 1372 G C -0.779 174.021 174.900 -0.167 0.000 1.349 1372 G CA -0.500 44.434 45.100 -0.277 0.000 0.792 1372 G HN 0.196 nan 8.290 nan 0.000 0.481 1373 D N -0.822 119.444 120.400 -0.223 0.000 2.360 1373 D HA 0.256 4.896 4.640 -0.000 0.000 0.210 1373 D C 0.664 176.523 176.300 -0.735 0.000 1.047 1373 D CA 0.704 54.461 54.000 -0.405 0.000 0.854 1373 D CB 0.674 41.364 40.800 -0.184 0.000 0.936 1373 D HN 0.261 nan 8.370 nan 0.000 0.514 1374 Q N 0.031 119.578 119.800 -0.422 0.000 2.433 1374 Q HA 0.313 4.653 4.340 -0.000 0.000 0.279 1374 Q C -1.231 174.817 176.000 0.079 0.000 1.105 1374 Q CA -0.856 54.808 55.803 -0.232 0.000 0.815 1374 Q CB 1.868 30.573 28.738 -0.055 0.000 1.403 1374 Q HN -0.136 nan 8.270 nan 0.000 0.435 1375 D N 1.029 121.560 120.400 0.217 0.000 2.449 1375 D HA 0.226 4.866 4.640 -0.000 0.000 0.236 1375 D C -0.427 175.820 176.300 -0.089 0.000 1.149 1375 D CA 0.306 54.411 54.000 0.174 0.000 0.878 1375 D CB 0.563 41.447 40.800 0.140 0.000 1.198 1375 D HN 0.586 nan 8.370 nan 0.000 0.446 1376 A N 1.920 124.506 122.820 -0.389 0.000 2.448 1376 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 1376 A C 1.051 178.548 177.584 -0.144 0.000 1.080 1376 A CA -0.226 51.435 52.037 -0.627 0.000 0.779 1376 A CB -0.108 18.506 19.000 -0.643 0.000 1.026 1376 A HN 0.625 nan 8.150 nan 0.000 0.499 1377 T N 0.248 114.788 114.554 -0.023 0.000 2.887 1377 T HA 0.344 4.694 4.350 -0.000 0.000 0.371 1377 T C 0.769 175.557 174.700 0.147 0.000 1.126 1377 T CA -0.392 61.769 62.100 0.102 0.000 1.043 1377 T CB -0.152 68.853 68.868 0.227 0.000 1.362 1377 T HN 0.532 nan 8.240 nan 0.000 0.525 1378 M N 1.703 121.406 119.600 0.171 0.000 2.286 1378 M HA 0.096 4.576 4.480 -0.000 0.000 0.365 1378 M C -0.089 176.361 176.300 0.250 0.000 1.443 1378 M CA 0.534 55.932 55.300 0.162 0.000 0.951 1378 M CB -0.389 32.239 32.600 0.046 0.000 1.961 1378 M HN 0.599 nan 8.290 nan 0.000 0.468 1379 S N 3.118 118.908 115.700 0.149 0.000 2.704 1379 S HA 0.807 5.277 4.470 -0.000 0.000 0.296 1379 S C -0.882 173.668 174.600 -0.084 0.000 1.138 1379 S CA -0.796 57.422 58.200 0.031 0.000 0.875 1379 S CB 1.767 64.973 63.200 0.009 0.000 1.151 1379 S HN 0.488 nan 8.310 nan 0.000 0.500 1380 I N 1.336 121.665 120.570 -0.402 0.000 2.466 1380 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 1380 I C -1.080 174.733 176.117 -0.506 0.000 1.026 1380 I CA -0.133 60.846 61.300 -0.535 0.000 1.078 1380 I CB 1.425 38.896 38.000 -0.882 0.000 1.249 1380 I HN 0.404 nan 8.210 nan 0.000 0.429 1381 L N 5.433 126.441 121.223 -0.359 0.000 2.264 1381 L HA 0.383 4.723 4.340 -0.000 0.000 0.287 1381 L C -0.613 176.126 176.870 -0.217 0.000 1.039 1381 L CA -0.414 54.281 54.840 -0.242 0.000 0.829 1381 L CB 0.789 42.759 42.059 -0.149 0.000 1.211 1381 L HN 0.510 nan 8.230 nan 0.000 0.427 1382 D N 5.306 125.623 120.400 -0.137 0.000 2.373 1382 D HA 0.427 5.067 4.640 -0.000 0.000 0.227 1382 D C -0.609 175.679 176.300 -0.021 0.000 1.091 1382 D CA -0.114 53.846 54.000 -0.066 0.000 0.840 1382 D CB 0.852 41.673 40.800 0.035 0.000 1.060 1382 D HN 0.249 nan 8.370 nan 0.000 0.502 1383 I N 2.619 123.190 120.570 0.001 0.000 2.406 1383 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 1383 I C 0.141 176.311 176.117 0.089 0.000 0.999 1383 I CA -0.748 60.596 61.300 0.073 0.000 1.124 1383 I CB 1.875 39.957 38.000 0.136 0.000 1.289 1383 I HN 0.307 nan 8.210 nan 0.000 0.441 1384 S N 6.577 122.339 115.700 0.102 0.000 2.537 1384 S HA 0.671 5.141 4.470 -0.000 0.000 0.301 1384 S C -0.373 174.309 174.600 0.138 0.000 1.092 1384 S CA -1.012 57.245 58.200 0.094 0.000 1.048 1384 S CB 1.840 65.069 63.200 0.049 0.000 1.053 1384 S HN 0.360 nan 8.310 nan 0.000 0.501 1385 M N 2.360 122.047 119.600 0.146 0.000 2.255 1385 M HA 0.335 4.815 4.480 -0.000 0.000 0.336 1385 M C 0.259 176.606 176.300 0.079 0.000 1.135 1385 M CA -0.237 55.178 55.300 0.191 0.000 1.145 1385 M CB 0.400 33.144 32.600 0.241 0.000 1.473 1385 M HN 0.758 nan 8.290 nan 0.000 0.462 1386 M N 1.092 120.701 119.600 0.016 0.000 2.252 1386 M HA 0.024 4.504 4.480 -0.000 0.000 0.329 1386 M C 0.472 176.895 176.300 0.205 0.000 1.101 1386 M CA 0.442 55.736 55.300 -0.008 0.000 1.117 1386 M CB -0.271 32.202 32.600 -0.212 0.000 1.563 1386 M HN 0.603 nan 8.290 nan 0.000 0.445 1387 T N 2.540 117.198 114.554 0.172 0.000 2.891 1387 T HA 0.134 4.484 4.350 -0.000 0.000 0.296 1387 T C 1.210 176.045 174.700 0.225 0.000 1.025 1387 T CA 1.195 63.400 62.100 0.176 0.000 1.149 1387 T CB 0.009 68.954 68.868 0.128 0.000 1.007 1387 T HN 1.035 nan 8.240 nan 0.000 0.528 1388 G N 1.988 110.821 108.800 0.055 0.000 2.148 1388 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 1388 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 1388 G C -0.044 174.613 174.900 -0.406 0.000 0.981 1388 G CA -0.250 44.638 45.100 -0.354 0.000 0.670 1388 G HN 0.634 nan 8.290 nan 0.000 0.528 1389 F N 0.482 120.478 119.950 0.076 0.000 2.538 1389 F HA 0.784 5.311 4.527 -0.000 0.000 0.325 1389 F C 0.425 176.431 175.800 0.342 0.000 1.066 1389 F CA -0.126 58.025 58.000 0.250 0.000 0.946 1389 F CB 2.416 41.517 39.000 0.168 0.000 1.199 1389 F HN 0.407 nan 8.300 nan 0.000 0.473 1390 A N 2.621 125.693 122.820 0.419 0.000 2.549 1390 A HA 0.808 5.128 4.320 -0.000 0.000 0.297 1390 A C -3.069 174.662 177.584 0.245 0.000 1.061 1390 A CA -1.847 50.225 52.037 0.059 0.000 0.690 1390 A CB 1.758 20.302 19.000 -0.759 0.000 1.287 1390 A HN 0.318 nan 8.150 nan 0.000 0.402 1391 P HA 0.244 nan 4.420 nan 0.000 0.275 1391 P C -0.675 176.890 177.300 0.443 0.000 1.227 1391 P CA 0.066 63.375 63.100 0.347 0.000 0.781 1391 P CB 0.456 32.223 31.700 0.111 0.000 0.906 1392 D N 1.333 121.972 120.400 0.398 0.000 2.472 1392 D HA -0.033 4.607 4.640 -0.000 0.000 0.248 1392 D C 0.980 177.413 176.300 0.223 0.000 1.174 1392 D CA 0.531 54.761 54.000 0.382 0.000 0.883 1392 D CB 0.456 41.429 40.800 0.289 0.000 1.149 1392 D HN 0.290 nan 8.370 nan 0.000 0.488 1393 T N 1.276 115.948 114.554 0.197 0.000 2.746 1393 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 1393 T C 1.146 175.873 174.700 0.046 0.000 1.039 1393 T CA 1.083 63.245 62.100 0.103 0.000 1.142 1393 T CB -0.171 68.747 68.868 0.083 0.000 0.866 1393 T HN 0.396 nan 8.240 nan 0.000 0.444 1394 D N 1.310 121.741 120.400 0.051 0.000 2.183 1394 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 1394 D C 1.898 178.219 176.300 0.036 0.000 0.969 1394 D CA 0.720 54.740 54.000 0.033 0.000 0.842 1394 D CB -0.444 40.374 40.800 0.031 0.000 0.957 1394 D HN 0.271 nan 8.370 nan 0.000 0.484 1395 D N 0.030 120.466 120.400 0.061 0.000 2.144 1395 D HA -0.061 4.579 4.640 -0.000 0.000 0.199 1395 D C 2.224 178.527 176.300 0.006 0.000 0.984 1395 D CA 0.345 54.385 54.000 0.066 0.000 0.834 1395 D CB -0.151 40.731 40.800 0.138 0.000 0.955 1395 D HN 0.201 nan 8.370 nan 0.000 0.465 1396 L N 0.346 121.536 121.223 -0.055 0.000 2.056 1396 L HA -0.147 4.192 4.340 -0.000 0.000 0.207 1396 L C 2.283 179.107 176.870 -0.078 0.000 1.078 1396 L CA 1.146 55.900 54.840 -0.144 0.000 0.749 1396 L CB -0.174 41.779 42.059 -0.177 0.000 0.901 1396 L HN 0.006 nan 8.230 nan 0.000 0.433 1397 K N -0.581 119.797 120.400 -0.035 0.000 2.097 1397 K HA -0.222 4.098 4.320 -0.000 0.000 0.205 1397 K C 2.088 178.686 176.600 -0.003 0.000 1.050 1397 K CA 1.029 57.306 56.287 -0.016 0.000 0.938 1397 K CB -0.036 32.462 32.500 -0.004 0.000 0.718 1397 K HN 0.066 nan 8.250 nan 0.000 0.442 1398 Q N 1.320 121.123 119.800 0.005 0.000 2.096 1398 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 1398 Q C 1.810 177.818 176.000 0.015 0.000 0.982 1398 Q CA 1.497 57.309 55.803 0.015 0.000 0.850 1398 Q CB -0.189 28.564 28.738 0.025 0.000 0.901 1398 Q HN 0.268 nan 8.270 nan 0.000 0.422 1399 L N -0.485 120.741 121.223 0.005 0.000 2.027 1399 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 1399 L C 2.392 179.264 176.870 0.005 0.000 1.074 1399 L CA 1.001 55.844 54.840 0.005 0.000 0.745 1399 L CB -0.823 41.225 42.059 -0.018 0.000 0.898 1399 L HN 0.327 nan 8.230 nan 0.000 0.433 1400 A N 0.609 123.422 122.820 -0.011 0.000 1.903 1400 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 1400 A C 1.941 179.550 177.584 0.042 0.000 1.191 1400 A CA 2.619 54.662 52.037 0.010 0.000 0.638 1400 A CB -0.886 18.110 19.000 -0.006 0.000 0.823 1400 A HN 0.501 nan 8.150 nan 0.000 0.451 1401 N N 0.065 118.784 118.700 0.031 0.000 2.453 1401 N HA 0.121 4.861 4.740 -0.000 0.000 0.183 1401 N C 1.105 176.636 175.510 0.035 0.000 1.041 1401 N CA 0.684 53.755 53.050 0.035 0.000 0.900 1401 N CB -0.403 38.100 38.487 0.026 0.000 0.961 1401 N HN 0.542 nan 8.380 nan 0.000 0.443 1402 G N -0.137 108.684 108.800 0.035 0.000 2.760 1402 G HA2 0.162 4.122 3.960 -0.000 0.000 0.236 1402 G HA3 0.162 4.122 3.960 -0.000 0.000 0.236 1402 G C -0.251 174.674 174.900 0.042 0.000 1.243 1402 G CA -0.356 44.765 45.100 0.036 0.000 0.850 1402 G HN 0.023 nan 8.290 nan 0.000 0.595 1403 V N 1.997 121.933 119.914 0.038 0.000 2.407 1403 V HA 0.282 4.402 4.120 -0.000 0.000 0.278 1403 V C 0.073 176.193 176.094 0.043 0.000 1.037 1403 V CA -0.038 62.284 62.300 0.036 0.000 0.900 1403 V CB 1.296 33.136 31.823 0.027 0.000 0.983 1403 V HN 0.944 nan 8.190 nan 0.000 0.459 1404 D N 2.693 123.121 120.400 0.047 0.000 3.017 1404 D HA -0.146 4.494 4.640 -0.000 0.000 0.220 1404 D C 0.258 176.605 176.300 0.079 0.000 1.141 1404 D CA 0.754 54.787 54.000 0.055 0.000 0.848 1404 D CB -0.611 40.218 40.800 0.049 0.000 1.102 1404 D HN 0.703 nan 8.370 nan 0.000 0.427 1405 R N -0.174 120.382 120.500 0.094 0.000 2.744 1405 R HA 0.653 4.993 4.340 -0.000 0.000 0.279 1405 R C -1.049 175.370 176.300 0.198 0.000 0.977 1405 R CA -0.861 55.312 56.100 0.121 0.000 0.906 1405 R CB 2.326 32.670 30.300 0.073 0.000 1.197 1405 R HN 0.096 nan 8.270 nan 0.000 0.463 1406 Y N 2.183 122.530 120.300 0.078 0.000 2.362 1406 Y HA 0.497 5.047 4.550 -0.000 0.000 0.326 1406 Y C -1.781 174.210 175.900 0.151 0.000 1.083 1406 Y CA -0.827 57.327 58.100 0.090 0.000 1.073 1406 Y CB 1.300 39.799 38.460 0.065 0.000 1.211 1406 Y HN 0.552 nan 8.280 nan 0.000 0.433 1407 I N 6.086 126.393 120.570 -0.439 0.000 2.447 1407 I HA 0.361 4.531 4.170 -0.000 0.000 0.287 1407 I C -0.098 175.684 176.117 -0.558 0.000 1.023 1407 I CA -0.922 60.109 61.300 -0.448 0.000 1.083 1407 I CB 2.103 39.968 38.000 -0.224 0.000 1.245 1407 I HN 0.732 nan 8.210 nan 0.000 0.434 1408 S N 4.763 120.126 115.700 -0.562 0.000 2.584 1408 S HA 0.132 4.601 4.470 -0.000 0.000 0.270 1408 S C 1.035 175.619 174.600 -0.027 0.000 1.346 1408 S CA -0.435 57.603 58.200 -0.270 0.000 1.018 1408 S CB 1.461 64.641 63.200 -0.033 0.000 0.899 1408 S HN 0.765 nan 8.310 nan 0.000 0.542 1409 K N 0.296 120.743 120.400 0.077 0.000 2.057 1409 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 1409 K C 1.850 178.500 176.600 0.084 0.000 1.049 1409 K CA 1.416 57.746 56.287 0.072 0.000 0.931 1409 K CB -0.454 32.096 32.500 0.083 0.000 0.714 1409 K HN 0.761 nan 8.250 nan 0.000 0.440 1410 Y N 1.689 121.988 120.300 -0.000 0.000 2.002 1410 Y HA -0.404 4.146 4.550 0.000 0.000 0.268 1410 Y C 2.301 178.187 175.900 -0.024 0.000 1.177 1410 Y CA 2.541 60.638 58.100 -0.004 0.000 1.111 1410 Y CB -0.270 38.196 38.460 0.010 0.000 0.952 1410 Y HN 0.217 nan 8.280 nan 0.000 0.491 1411 E N 0.036 120.380 120.200 0.240 0.000 2.051 1411 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 1411 E C 2.206 178.799 176.600 -0.013 0.000 0.991 1411 E CA 1.613 58.068 56.400 0.093 0.000 0.799 1411 E CB -0.453 29.267 29.700 0.033 0.000 0.748 1411 E HN 0.573 nan 8.360 nan 0.000 0.449 1412 L N 0.585 121.796 121.223 -0.020 0.000 2.191 1412 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 1412 L C 0.924 177.776 176.870 -0.031 0.000 1.103 1412 L CA 1.505 56.324 54.840 -0.034 0.000 0.769 1412 L CB -0.423 41.620 42.059 -0.028 0.000 0.908 1412 L HN 0.323 nan 8.230 nan 0.000 0.438 1413 D N -2.104 118.270 120.400 -0.044 0.000 2.501 1413 D HA 0.052 4.692 4.640 -0.000 0.000 0.226 1413 D C 0.382 176.627 176.300 -0.092 0.000 1.198 1413 D CA -0.298 53.670 54.000 -0.054 0.000 0.830 1413 D CB -0.030 40.743 40.800 -0.044 0.000 1.014 1413 D HN -0.039 nan 8.370 nan 0.000 0.496 1414 K N 0.738 121.071 120.400 -0.112 0.000 2.414 1414 K HA 0.371 4.691 4.320 -0.000 0.000 0.272 1414 K C 0.395 176.954 176.600 -0.069 0.000 0.993 1414 K CA -0.285 55.925 56.287 -0.128 0.000 0.964 1414 K CB 0.802 33.231 32.500 -0.117 0.000 0.925 1414 K HN 0.260 nan 8.250 nan 0.000 0.487 1415 A N 3.055 125.833 122.820 -0.070 0.000 2.531 1415 A HA -0.075 4.245 4.320 -0.000 0.000 0.236 1415 A C 0.962 178.534 177.584 -0.020 0.000 1.062 1415 A CA -0.055 51.965 52.037 -0.029 0.000 0.760 1415 A CB -0.102 18.872 19.000 -0.044 0.000 0.995 1415 A HN 0.839 nan 8.150 nan 0.000 0.501 1416 F N 3.008 122.893 119.950 -0.109 0.000 2.043 1416 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 1416 F C 2.054 177.720 175.800 -0.224 0.000 1.118 1416 F CA 2.509 60.437 58.000 -0.120 0.000 1.202 1416 F CB -0.324 38.619 39.000 -0.095 0.000 0.965 1416 F HN 0.494 nan 8.300 nan 0.000 0.482 1417 S N -0.683 114.709 115.700 -0.513 0.000 2.945 1417 S HA 0.228 4.698 4.470 -0.000 0.000 0.227 1417 S C -0.056 174.222 174.600 -0.535 0.000 1.353 1417 S CA -0.089 57.544 58.200 -0.945 0.000 1.236 1417 S CB 0.007 62.755 63.200 -0.753 0.000 1.069 1417 S HN 0.502 nan 8.310 nan 0.000 0.509 1418 D N 1.038 121.209 120.400 -0.381 0.000 2.936 1418 D HA 0.088 4.728 4.640 -0.000 0.000 0.297 1418 D C -0.410 175.806 176.300 -0.140 0.000 1.677 1418 D CA -0.179 53.693 54.000 -0.214 0.000 0.821 1418 D CB 0.515 41.244 40.800 -0.119 0.000 1.358 1418 D HN 0.395 nan 8.370 nan 0.000 0.448 1419 R N 1.509 121.900 120.500 -0.183 0.000 2.609 1419 R HA 0.126 4.466 4.340 -0.000 0.000 0.271 1419 R C 1.142 177.416 176.300 -0.043 0.000 1.403 1419 R CA -0.017 56.026 56.100 -0.094 0.000 1.138 1419 R CB -0.073 30.168 30.300 -0.099 0.000 1.142 1419 R HN 0.124 nan 8.270 nan 0.000 0.559 1420 N N -0.204 118.504 118.700 0.013 0.000 2.392 1420 N HA -0.088 4.652 4.740 -0.000 0.000 0.177 1420 N C 0.153 175.710 175.510 0.078 0.000 1.066 1420 N CA 0.240 53.336 53.050 0.077 0.000 0.895 1420 N CB 0.573 39.118 38.487 0.095 0.000 0.988 1420 N HN 0.355 nan 8.380 nan 0.000 0.457 1421 T N -1.733 112.852 114.554 0.052 0.000 2.896 1421 T HA 0.683 5.033 4.350 -0.000 0.000 0.297 1421 T C -0.620 174.094 174.700 0.023 0.000 1.108 1421 T CA -0.988 61.141 62.100 0.048 0.000 1.004 1421 T CB 1.810 70.701 68.868 0.040 0.000 1.159 1421 T HN 0.300 nan 8.240 nan 0.000 0.499 1422 L N -0.780 120.445 121.223 0.004 0.000 2.671 1422 L HA 0.817 5.157 4.340 -0.000 0.000 0.259 1422 L C -1.825 174.982 176.870 -0.105 0.000 1.021 1422 L CA -1.535 53.276 54.840 -0.047 0.000 0.871 1422 L CB 1.780 43.793 42.059 -0.077 0.000 1.472 1422 L HN 0.696 nan 8.230 nan 0.000 0.410 1423 I N 2.130 122.588 120.570 -0.187 0.000 2.406 1423 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 1423 I C -0.755 175.102 176.117 -0.435 0.000 0.999 1423 I CA -0.473 60.611 61.300 -0.360 0.000 1.124 1423 I CB 2.058 39.748 38.000 -0.516 0.000 1.289 1423 I HN 0.487 nan 8.210 nan 0.000 0.441 1424 I N 5.958 126.291 120.570 -0.395 0.000 2.377 1424 I HA 0.295 4.465 4.170 -0.000 0.000 0.293 1424 I C -1.079 174.831 176.117 -0.346 0.000 0.987 1424 I CA -0.713 60.403 61.300 -0.307 0.000 1.185 1424 I CB 1.404 39.308 38.000 -0.159 0.000 1.341 1424 I HN 0.365 nan 8.210 nan 0.000 0.455 1425 Y N 6.176 126.442 120.300 -0.057 0.000 2.331 1425 Y HA 0.496 5.045 4.550 -0.000 0.000 0.338 1425 Y C -0.138 175.783 175.900 0.034 0.000 0.976 1425 Y CA -0.535 57.569 58.100 0.006 0.000 1.137 1425 Y CB 1.270 39.813 38.460 0.139 0.000 1.172 1425 Y HN 0.292 nan 8.280 nan 0.000 0.478 1426 L N 3.611 124.928 121.223 0.157 0.000 2.309 1426 L HA 0.357 4.697 4.340 -0.000 0.000 0.282 1426 L C 0.421 177.361 176.870 0.116 0.000 1.036 1426 L CA -0.626 54.280 54.840 0.110 0.000 0.806 1426 L CB 1.240 43.338 42.059 0.065 0.000 1.220 1426 L HN 0.576 nan 8.230 nan 0.000 0.429 1427 D N 1.588 122.043 120.400 0.091 0.000 2.312 1427 D HA -0.027 4.613 4.640 -0.000 0.000 0.211 1427 D C 0.349 176.685 176.300 0.061 0.000 0.964 1427 D CA 1.042 55.078 54.000 0.060 0.000 0.877 1427 D CB 0.310 41.133 40.800 0.039 0.000 0.924 1427 D HN 0.554 nan 8.370 nan 0.000 0.515 1428 K N -1.914 118.529 120.400 0.072 0.000 2.685 1428 K HA 0.443 4.763 4.320 -0.000 0.000 0.290 1428 K C -1.882 174.774 176.600 0.093 0.000 1.018 1428 K CA -0.844 55.484 56.287 0.069 0.000 0.860 1428 K CB 1.389 33.921 32.500 0.054 0.000 1.498 1428 K HN -0.253 nan 8.250 nan 0.000 0.390 1429 V N 0.952 120.930 119.914 0.106 0.000 2.569 1429 V HA 0.282 4.402 4.120 -0.000 0.000 0.301 1429 V C -0.165 176.023 176.094 0.157 0.000 1.044 1429 V CA -0.879 61.519 62.300 0.162 0.000 0.874 1429 V CB 1.596 33.610 31.823 0.319 0.000 1.002 1429 V HN 0.873 nan 8.190 nan 0.000 0.424 1430 S N 2.158 117.934 115.700 0.126 0.000 2.563 1430 S HA -0.021 4.448 4.470 -0.000 0.000 0.294 1430 S C 1.244 175.931 174.600 0.144 0.000 1.279 1430 S CA 0.618 58.873 58.200 0.091 0.000 1.069 1430 S CB 0.079 63.293 63.200 0.023 0.000 0.828 1430 S HN 1.074 nan 8.310 nan 0.000 0.497 1431 H N 2.273 121.418 119.070 0.124 0.000 2.544 1431 H HA 0.288 4.844 4.556 -0.000 0.000 0.269 1431 H C 1.545 176.906 175.328 0.055 0.000 0.970 1431 H CA 1.064 57.178 56.048 0.111 0.000 1.219 1431 H CB -0.044 29.796 29.762 0.130 0.000 1.421 1431 H HN 0.428 nan 8.280 nan 0.000 0.555 1432 S N -0.103 115.275 115.700 -0.537 0.000 2.478 1432 S HA 0.016 4.486 4.470 -0.000 0.000 0.222 1432 S C 0.458 174.974 174.600 -0.141 0.000 1.008 1432 S CA 0.421 58.385 58.200 -0.392 0.000 0.928 1432 S CB 0.098 63.047 63.200 -0.419 0.000 0.781 1432 S HN 0.767 nan 8.310 nan 0.000 0.518 1433 E N 0.469 120.618 120.200 -0.085 0.000 2.409 1433 E HA 0.180 4.529 4.350 -0.000 0.000 0.280 1433 E C -2.392 174.213 176.600 0.007 0.000 1.079 1433 E CA -0.744 55.639 56.400 -0.029 0.000 0.840 1433 E CB 0.272 29.954 29.700 -0.030 0.000 1.309 1433 E HN -0.204 nan 8.360 nan 0.000 0.447 1434 D N 1.793 122.205 120.400 0.019 0.000 2.451 1434 D HA 0.140 4.780 4.640 -0.000 0.000 0.254 1434 D C -0.775 175.546 176.300 0.036 0.000 1.204 1434 D CA 0.622 54.644 54.000 0.037 0.000 0.896 1434 D CB 0.302 41.119 40.800 0.029 0.000 1.136 1434 D HN 0.201 nan 8.370 nan 0.000 0.499 1435 D N 2.056 122.489 120.400 0.055 0.000 2.325 1435 D HA 0.123 4.763 4.640 -0.000 0.000 0.251 1435 D C -0.150 176.176 176.300 0.043 0.000 1.196 1435 D CA -0.127 53.903 54.000 0.050 0.000 0.866 1435 D CB 0.505 41.346 40.800 0.068 0.000 1.101 1435 D HN 0.214 nan 8.370 nan 0.000 0.476 1436 c N 2.843 121.460 118.600 0.029 0.000 2.397 1436 c HA 0.824 5.394 4.570 -0.000 0.000 0.343 1436 c C -0.172 173.931 174.090 0.022 0.000 1.188 1436 c CA -0.748 55.591 56.329 0.018 0.000 1.992 1436 c CB 0.288 42.801 42.510 0.005 0.000 2.358 1436 c HN 0.594 nan 8.230 nan 0.000 0.518 1437 L N 0.803 122.037 121.223 0.019 0.000 2.469 1437 L HA 1.061 5.401 4.340 -0.000 0.000 0.256 1437 L C -0.657 176.230 176.870 0.027 0.000 1.006 1437 L CA -0.563 54.303 54.840 0.043 0.000 0.832 1437 L CB 1.445 43.549 42.059 0.074 0.000 1.421 1437 L HN 0.847 nan 8.230 nan 0.000 0.410 1438 A N 1.343 124.199 122.820 0.060 0.000 2.572 1438 A HA 0.958 5.278 4.320 -0.000 0.000 0.295 1438 A C -1.390 176.274 177.584 0.134 0.000 1.072 1438 A CA -0.386 51.637 52.037 -0.024 0.000 0.691 1438 A CB 1.389 20.344 19.000 -0.075 0.000 1.291 1438 A HN 1.438 nan 8.150 nan 0.000 0.404 1439 F N -1.030 118.882 119.950 -0.063 0.000 2.686 1439 F HA 0.717 5.244 4.527 -0.000 0.000 0.311 1439 F C -0.475 175.285 175.800 -0.065 0.000 1.128 1439 F CA -1.089 56.883 58.000 -0.047 0.000 0.946 1439 F CB 1.250 40.233 39.000 -0.029 0.000 1.336 1439 F HN 0.475 nan 8.300 nan 0.000 0.457 1440 K N 1.559 122.031 120.400 0.120 0.000 2.237 1440 K HA 0.629 4.949 4.320 -0.000 0.000 0.270 1440 K C -0.901 175.702 176.600 0.004 0.000 1.015 1440 K CA -0.798 55.465 56.287 -0.040 0.000 0.949 1440 K CB 1.840 34.281 32.500 -0.098 0.000 0.976 1440 K HN 0.652 nan 8.250 nan 0.000 0.472 1441 V N -0.234 119.630 119.914 -0.083 0.000 2.588 1441 V HA 0.422 4.542 4.120 -0.000 0.000 0.304 1441 V C -0.777 175.393 176.094 0.127 0.000 1.042 1441 V CA -0.942 61.425 62.300 0.111 0.000 0.877 1441 V CB 1.652 33.607 31.823 0.220 0.000 0.996 1441 V HN 0.679 nan 8.190 nan 0.000 0.425 1442 H N 2.829 122.200 119.070 0.502 0.000 2.469 1442 H HA 0.441 4.997 4.556 -0.000 0.000 0.342 1442 H C -0.723 174.738 175.328 0.222 0.000 1.115 1442 H CA -0.421 55.862 56.048 0.392 0.000 1.204 1442 H CB 2.409 32.433 29.762 0.436 0.000 1.492 1442 H HN 0.840 nan 8.280 nan 0.000 0.499 1443 Q N 2.829 122.581 119.800 -0.080 0.000 2.369 1443 Q HA 0.051 4.391 4.340 -0.000 0.000 0.247 1443 Q C 0.285 176.245 176.000 -0.066 0.000 1.083 1443 Q CA -0.327 55.137 55.803 -0.565 0.000 0.905 1443 Q CB 0.181 28.407 28.738 -0.853 0.000 1.305 1443 Q HN 0.705 nan 8.270 nan 0.000 0.465 1444 Y N 2.917 123.212 120.300 -0.008 0.000 2.420 1444 Y HA 0.187 4.737 4.550 -0.000 0.000 0.292 1444 Y C -0.122 175.866 175.900 0.145 0.000 1.119 1444 Y CA -0.349 57.828 58.100 0.129 0.000 1.229 1444 Y CB 0.345 38.924 38.460 0.198 0.000 1.026 1444 Y HN 0.414 nan 8.280 nan 0.000 0.554 1445 F N 2.590 122.177 119.950 -0.605 0.000 2.553 1445 F HA 0.393 4.920 4.527 -0.000 0.000 0.335 1445 F C -0.913 174.682 175.800 -0.342 0.000 1.148 1445 F CA -2.064 55.691 58.000 -0.408 0.000 0.963 1445 F CB 0.818 39.558 39.000 -0.433 0.000 1.217 1445 F HN -0.042 nan 8.300 nan 0.000 0.441 1446 N N 4.446 122.719 118.700 -0.711 0.000 2.475 1446 N HA 0.434 5.174 4.740 -0.000 0.000 0.267 1446 N C -1.571 173.526 175.510 -0.690 0.000 1.169 1446 N CA 0.066 52.776 53.050 -0.566 0.000 0.947 1446 N CB 1.136 39.392 38.487 -0.386 0.000 1.061 1446 N HN 0.494 nan 8.380 nan 0.000 0.466 1447 V N 2.846 122.546 119.914 -0.356 0.000 2.876 1447 V HA 0.327 4.447 4.120 -0.000 0.000 0.312 1447 V C -0.683 175.350 176.094 -0.102 0.000 1.085 1447 V CA -0.911 61.260 62.300 -0.214 0.000 0.945 1447 V CB 1.866 33.650 31.823 -0.064 0.000 1.017 1447 V HN 0.772 nan 8.190 nan 0.000 0.428 1448 E N 5.811 125.965 120.200 -0.076 0.000 2.217 1448 E HA 0.444 4.794 4.350 -0.000 0.000 0.279 1448 E C -1.069 175.528 176.600 -0.006 0.000 1.068 1448 E CA -0.049 56.328 56.400 -0.037 0.000 0.882 1448 E CB 0.250 29.924 29.700 -0.044 0.000 1.039 1448 E HN 0.695 nan 8.360 nan 0.000 0.418 1449 L N 5.201 126.436 121.223 0.020 0.000 1.999 1449 L HA -0.168 4.172 4.340 -0.000 0.000 0.700 1449 L C -0.506 176.407 176.870 0.071 0.000 1.117 1449 L CA 0.098 54.961 54.840 0.039 0.000 1.418 1449 L CB -1.377 40.691 42.059 0.015 0.000 2.216 1449 L HN 0.666 nan 8.230 nan 0.000 0.996 1450 I N 0.828 121.480 120.570 0.137 0.000 2.342 1450 I HA 0.424 4.594 4.170 -0.000 0.000 0.291 1450 I C 0.574 176.810 176.117 0.198 0.000 1.010 1450 I CA 0.098 61.500 61.300 0.170 0.000 1.308 1450 I CB 1.504 39.609 38.000 0.175 0.000 1.400 1450 I HN 0.573 nan 8.210 nan 0.000 0.488 1451 Q N 7.949 127.816 119.800 0.112 0.000 2.332 1451 Q HA 0.374 4.714 4.340 -0.000 0.000 0.263 1451 Q C -2.278 173.764 176.000 0.071 0.000 0.979 1451 Q CA -1.749 54.087 55.803 0.056 0.000 0.885 1451 Q CB 0.860 29.617 28.738 0.031 0.000 1.218 1451 Q HN 0.494 nan 8.270 nan 0.000 0.405 1452 P HA -0.049 nan 4.420 nan 0.000 0.264 1452 P C -0.534 176.677 177.300 -0.149 0.000 1.183 1452 P CA 0.255 63.333 63.100 -0.036 0.000 0.763 1452 P CB 0.583 32.253 31.700 -0.049 0.000 0.807 1453 G N 1.563 110.032 108.800 -0.551 0.000 2.557 1453 G HA2 0.616 4.576 3.960 -0.000 0.000 0.292 1453 G HA3 0.616 4.576 3.960 -0.000 0.000 0.292 1453 G C -1.121 173.505 174.900 -0.458 0.000 1.237 1453 G CA -0.318 44.412 45.100 -0.616 0.000 0.978 1453 G HN 0.632 nan 8.290 nan 0.000 0.498 1454 A N -1.303 121.409 122.820 -0.179 0.000 2.515 1454 A HA 0.710 5.030 4.320 -0.000 0.000 0.298 1454 A C -1.306 176.266 177.584 -0.019 0.000 1.059 1454 A CA -0.468 51.451 52.037 -0.197 0.000 0.698 1454 A CB 2.065 20.848 19.000 -0.362 0.000 1.289 1454 A HN 1.168 nan 8.150 nan 0.000 0.404 1455 V N 1.536 121.402 119.914 -0.080 0.000 2.577 1455 V HA 0.575 4.695 4.120 -0.000 0.000 0.303 1455 V C -0.302 175.731 176.094 -0.101 0.000 1.042 1455 V CA -0.582 61.696 62.300 -0.036 0.000 0.872 1455 V CB 1.733 33.557 31.823 0.002 0.000 0.998 1455 V HN 0.940 nan 8.190 nan 0.000 0.423 1456 K N 3.731 124.091 120.400 -0.068 0.000 2.413 1456 K HA 0.760 5.080 4.320 -0.000 0.000 0.257 1456 K C -1.666 174.911 176.600 -0.038 0.000 0.946 1456 K CA -0.489 55.775 56.287 -0.039 0.000 0.823 1456 K CB 2.194 34.698 32.500 0.007 0.000 1.109 1456 K HN 0.504 nan 8.250 nan 0.000 0.427 1457 V N 6.563 126.415 119.914 -0.103 0.000 2.483 1457 V HA 0.689 4.809 4.120 -0.000 0.000 0.295 1457 V C -1.657 174.252 176.094 -0.309 0.000 1.035 1457 V CA -0.193 61.917 62.300 -0.318 0.000 0.896 1457 V CB 0.821 32.364 31.823 -0.467 0.000 0.986 1457 V HN 0.827 nan 8.190 nan 0.000 0.447 1458 Y N 3.750 123.746 120.300 -0.507 0.000 2.624 1458 Y HA 0.853 5.403 4.550 -0.000 0.000 0.334 1458 Y C -0.356 175.415 175.900 -0.215 0.000 1.155 1458 Y CA -0.898 56.976 58.100 -0.377 0.000 1.046 1458 Y CB 0.935 39.297 38.460 -0.164 0.000 1.316 1458 Y HN 0.800 nan 8.280 nan 0.000 0.457 1459 A N 1.695 124.578 122.820 0.105 0.000 2.340 1459 A HA 0.341 4.661 4.320 -0.000 0.000 0.268 1459 A C 0.439 178.041 177.584 0.029 0.000 1.100 1459 A CA -0.148 51.944 52.037 0.091 0.000 0.803 1459 A CB -0.260 18.800 19.000 0.100 0.000 1.043 1459 A HN 1.197 nan 8.150 nan 0.000 0.488 1460 Y N 1.029 121.410 120.300 0.135 0.000 2.256 1460 Y HA -0.306 4.244 4.550 0.000 0.000 0.288 1460 Y C 1.549 177.570 175.900 0.202 0.000 1.155 1460 Y CA 1.928 60.145 58.100 0.196 0.000 1.203 1460 Y CB -0.964 37.603 38.460 0.178 0.000 0.980 1460 Y HN 0.733 nan 8.280 nan 0.000 0.530 1461 Y N -0.764 118.962 120.300 -0.955 0.000 2.546 1461 Y HA 0.279 4.829 4.550 -0.000 0.000 0.287 1461 Y C 0.041 175.817 175.900 -0.207 0.000 1.158 1461 Y CA -0.094 57.595 58.100 -0.686 0.000 1.307 1461 Y CB -0.149 37.821 38.460 -0.816 0.000 1.036 1461 Y HN 0.117 nan 8.280 nan 0.000 0.532 1462 N N 1.089 119.428 118.700 -0.603 0.000 2.640 1462 N HA 0.107 4.847 4.740 -0.000 0.000 0.262 1462 N C -0.085 175.309 175.510 -0.193 0.000 1.174 1462 N CA -0.434 52.402 53.050 -0.356 0.000 0.791 1462 N CB 1.149 39.358 38.487 -0.465 0.000 1.279 1462 N HN 0.304 nan 8.380 nan 0.000 0.535 1463 L N 2.725 123.840 121.223 -0.179 0.000 2.201 1463 L HA 0.108 4.448 4.340 -0.000 0.000 0.212 1463 L C 1.650 178.361 176.870 -0.265 0.000 1.105 1463 L CA 1.778 56.406 54.840 -0.355 0.000 0.775 1463 L CB -0.058 41.782 42.059 -0.363 0.000 0.913 1463 L HN 0.458 nan 8.230 nan 0.000 0.440 1464 E N -0.083 120.029 120.200 -0.147 0.000 2.038 1464 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 1464 E C 0.654 177.223 176.600 -0.052 0.000 1.000 1464 E CA 0.918 57.265 56.400 -0.088 0.000 0.803 1464 E CB -0.373 29.296 29.700 -0.052 0.000 0.750 1464 E HN 0.533 nan 8.360 nan 0.000 0.448 1465 E N 2.070 122.255 120.200 -0.024 0.000 1.979 1465 E HA 0.101 4.451 4.350 -0.000 0.000 0.285 1465 E C -0.106 176.570 176.600 0.127 0.000 1.188 1465 E CA -0.080 56.350 56.400 0.050 0.000 1.214 1465 E CB 0.075 29.814 29.700 0.066 0.000 1.210 1465 E HN 0.143 nan 8.360 nan 0.000 0.477 1466 S N -0.368 115.376 115.700 0.073 0.000 2.759 1466 S HA 0.614 5.084 4.470 -0.000 0.000 0.310 1466 S C -0.260 174.393 174.600 0.088 0.000 1.123 1466 S CA -0.893 57.361 58.200 0.091 0.000 0.959 1466 S CB 2.257 65.454 63.200 -0.005 0.000 1.172 1466 S HN 0.311 nan 8.310 nan 0.000 0.539 1467 c N 1.319 119.952 118.600 0.055 0.000 2.642 1467 c HA 0.779 5.349 4.570 -0.000 0.000 0.344 1467 c C -0.802 173.280 174.090 -0.013 0.000 1.110 1467 c CA 0.007 56.364 56.329 0.048 0.000 1.298 1467 c CB 0.480 43.054 42.510 0.106 0.000 1.827 1467 c HN 0.973 nan 8.230 nan 0.000 0.467 1468 T N 6.469 120.999 114.554 -0.040 0.000 2.824 1468 T HA 0.684 5.034 4.350 -0.000 0.000 0.282 1468 T C -0.644 173.950 174.700 -0.175 0.000 0.993 1468 T CA -0.588 61.420 62.100 -0.154 0.000 0.967 1468 T CB 1.018 69.750 68.868 -0.227 0.000 0.960 1468 T HN 0.697 nan 8.240 nan 0.000 0.441 1469 R N 1.783 122.145 120.500 -0.229 0.000 2.807 1469 R HA 0.647 4.987 4.340 -0.000 0.000 0.276 1469 R C -1.229 174.897 176.300 -0.289 0.000 0.979 1469 R CA -0.770 55.245 56.100 -0.141 0.000 0.928 1469 R CB 1.471 31.778 30.300 0.011 0.000 1.191 1469 R HN 0.509 nan 8.270 nan 0.000 0.471 1470 F N 0.931 120.922 119.950 0.069 0.000 2.523 1470 F HA 0.544 5.071 4.527 -0.000 0.000 0.329 1470 F C 0.010 175.877 175.800 0.112 0.000 1.061 1470 F CA -0.829 57.189 58.000 0.029 0.000 0.967 1470 F CB 1.248 40.227 39.000 -0.035 0.000 1.218 1470 F HN 0.432 nan 8.300 nan 0.000 0.480 1471 Y N -0.904 119.503 120.300 0.177 0.000 2.534 1471 Y HA 0.700 5.250 4.550 -0.000 0.000 0.345 1471 Y C -1.452 174.514 175.900 0.110 0.000 1.031 1471 Y CA -1.068 57.083 58.100 0.084 0.000 1.022 1471 Y CB 1.567 40.016 38.460 -0.018 0.000 1.292 1471 Y HN 0.730 nan 8.280 nan 0.000 0.459 1472 H N 2.600 121.710 119.070 0.066 0.000 3.079 1472 H HA 0.260 4.816 4.556 -0.000 0.000 0.356 1472 H C -2.650 172.674 175.328 -0.005 0.000 1.221 1472 H CA -2.040 53.989 56.048 -0.031 0.000 1.185 1472 H CB 3.194 32.919 29.762 -0.062 0.000 1.882 1472 H HN 0.489 nan 8.280 nan 0.000 0.543 1473 P HA -0.127 nan 4.420 nan 0.000 0.216 1473 P C 0.435 177.698 177.300 -0.062 0.000 1.150 1473 P CA 1.468 64.429 63.100 -0.232 0.000 0.843 1473 P CB 0.636 32.155 31.700 -0.302 0.000 0.787 1474 E N -1.469 118.778 120.200 0.078 0.000 2.207 1474 E HA 0.109 4.459 4.350 -0.000 0.000 0.197 1474 E C 0.363 177.059 176.600 0.160 0.000 0.914 1474 E CA 0.256 56.744 56.400 0.146 0.000 0.914 1474 E CB -0.209 29.587 29.700 0.160 0.000 0.893 1474 E HN 0.077 nan 8.360 nan 0.000 0.479 1475 K N 1.718 122.286 120.400 0.279 0.000 2.484 1475 K HA 0.028 4.348 4.320 -0.000 0.000 0.280 1475 K C -0.317 176.302 176.600 0.032 0.000 1.013 1475 K CA 0.140 56.434 56.287 0.012 0.000 1.029 1475 K CB 0.444 32.809 32.500 -0.225 0.000 0.902 1475 K HN -0.032 nan 8.250 nan 0.000 0.481 1476 E N 2.787 122.981 120.200 -0.010 0.000 2.351 1476 E HA -0.079 4.271 4.350 -0.000 0.000 0.266 1476 E C -0.514 176.099 176.600 0.021 0.000 1.031 1476 E CA 0.614 57.019 56.400 0.009 0.000 0.911 1476 E CB 0.137 29.833 29.700 -0.006 0.000 0.986 1476 E HN 0.459 nan 8.360 nan 0.000 0.446 1477 D N 3.417 123.850 120.400 0.056 0.000 3.012 1477 D HA -0.214 4.426 4.640 -0.000 0.000 0.222 1477 D C 0.558 176.928 176.300 0.116 0.000 1.167 1477 D CA 1.190 55.243 54.000 0.089 0.000 0.854 1477 D CB -1.192 39.652 40.800 0.075 0.000 1.107 1477 D HN 0.898 nan 8.370 nan 0.000 0.421 1478 G N -0.125 108.733 108.800 0.097 0.000 2.258 1478 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.274 1478 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.274 1478 G C 0.192 175.036 174.900 -0.093 0.000 1.021 1478 G CA 0.732 45.876 45.100 0.073 0.000 0.798 1478 G HN 0.251 nan 8.290 nan 0.000 0.507 1479 K N 0.157 120.480 120.400 -0.127 0.000 2.201 1479 K HA 0.468 4.788 4.320 -0.000 0.000 0.278 1479 K C 1.287 177.751 176.600 -0.225 0.000 1.027 1479 K CA -0.728 55.433 56.287 -0.210 0.000 0.909 1479 K CB 1.059 33.482 32.500 -0.128 0.000 1.062 1479 K HN 0.317 nan 8.250 nan 0.000 0.465 1480 L N 2.418 123.490 121.223 -0.251 0.000 2.499 1480 L HA -0.037 4.303 4.340 -0.000 0.000 0.281 1480 L C 0.784 177.566 176.870 -0.146 0.000 1.234 1480 L CA 0.029 54.743 54.840 -0.209 0.000 0.839 1480 L CB 0.053 42.004 42.059 -0.180 0.000 1.104 1480 L HN 0.414 nan 8.230 nan 0.000 0.500 1481 N N 3.507 122.127 118.700 -0.135 0.000 2.475 1481 N HA 0.189 4.929 4.740 -0.000 0.000 0.267 1481 N C -0.587 174.953 175.510 0.051 0.000 1.169 1481 N CA 0.085 53.090 53.050 -0.073 0.000 0.947 1481 N CB 0.839 39.241 38.487 -0.142 0.000 1.061 1481 N HN 0.493 nan 8.380 nan 0.000 0.466 1482 K N 0.770 121.267 120.400 0.160 0.000 2.562 1482 K HA 0.433 4.753 4.320 -0.000 0.000 0.267 1482 K C -1.659 174.960 176.600 0.033 0.000 0.938 1482 K CA -0.768 55.565 56.287 0.077 0.000 0.840 1482 K CB 1.079 33.583 32.500 0.006 0.000 1.390 1482 K HN 0.212 nan 8.250 nan 0.000 0.428 1483 L N 2.019 123.098 121.223 -0.241 0.000 2.307 1483 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 1483 L C -1.002 175.768 176.870 -0.166 0.000 1.023 1483 L CA -0.869 53.670 54.840 -0.502 0.000 0.810 1483 L CB 1.837 43.129 42.059 -1.279 0.000 1.231 1483 L HN 0.729 nan 8.230 nan 0.000 0.423 1484 c N 2.820 121.483 118.600 0.104 0.000 2.482 1484 c HA 0.603 5.173 4.570 -0.000 0.000 0.317 1484 c C -0.130 174.178 174.090 0.362 0.000 1.197 1484 c CA -0.870 55.613 56.329 0.257 0.000 1.432 1484 c CB 1.809 44.393 42.510 0.123 0.000 2.062 1484 c HN 0.780 nan 8.230 nan 0.000 0.471 1485 R N 2.576 123.249 120.500 0.288 0.000 2.502 1485 R HA 0.406 4.746 4.340 -0.000 0.000 0.300 1485 R C -0.175 176.127 176.300 0.004 0.000 0.984 1485 R CA -0.088 56.052 56.100 0.067 0.000 0.882 1485 R CB 0.657 30.841 30.300 -0.193 0.000 1.180 1485 R HN 0.993 nan 8.270 nan 0.000 0.444 1486 D N 1.551 121.953 120.400 0.004 0.000 3.608 1486 D HA -0.280 4.360 4.640 -0.000 0.000 0.152 1486 D C 0.332 176.645 176.300 0.021 0.000 0.971 1486 D CA 1.830 55.830 54.000 0.000 0.000 1.072 1486 D CB -0.272 40.513 40.800 -0.026 0.000 0.507 1486 D HN 0.810 nan 8.370 nan 0.000 0.520 1487 E N 1.953 122.161 120.200 0.013 0.000 2.444 1487 E HA 0.104 4.453 4.350 -0.000 0.000 0.191 1487 E C 0.562 177.184 176.600 0.036 0.000 1.041 1487 E CA -0.031 56.383 56.400 0.023 0.000 0.883 1487 E CB -0.189 29.519 29.700 0.013 0.000 1.024 1487 E HN 0.465 nan 8.360 nan 0.000 0.470 1488 L N 0.927 122.181 121.223 0.051 0.000 2.325 1488 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 1488 L C -1.309 175.656 176.870 0.159 0.000 1.004 1488 L CA -0.390 54.499 54.840 0.081 0.000 0.823 1488 L CB 1.281 43.373 42.059 0.054 0.000 1.236 1488 L HN -0.012 nan 8.230 nan 0.000 0.415 1489 c N 3.997 122.676 118.600 0.132 0.000 2.529 1489 c HA 0.778 5.348 4.570 -0.000 0.000 0.329 1489 c C -0.233 173.920 174.090 0.104 0.000 1.194 1489 c CA -0.745 55.662 56.329 0.130 0.000 1.779 1489 c CB 1.678 44.225 42.510 0.061 0.000 2.322 1489 c HN 0.942 nan 8.230 nan 0.000 0.500 1490 R N 0.774 121.293 120.500 0.033 0.000 2.750 1490 R HA 0.688 5.027 4.340 -0.000 0.000 0.281 1490 R C -1.040 175.223 176.300 -0.061 0.000 0.972 1490 R CA -0.398 55.696 56.100 -0.010 0.000 0.912 1490 R CB 0.599 30.897 30.300 -0.004 0.000 1.187 1490 R HN 0.650 nan 8.270 nan 0.000 0.464 1491 C N 1.877 121.159 119.300 -0.030 0.000 2.648 1491 C HA 0.448 4.908 4.460 -0.000 0.000 0.419 1491 C C 0.978 175.953 174.990 -0.024 0.000 1.352 1491 C CA 0.338 59.341 59.018 -0.025 0.000 1.816 1491 C CB -0.347 27.383 27.740 -0.016 0.000 2.598 1491 C HN 0.852 nan 8.230 nan 0.000 0.598 1492 A N 4.939 127.765 122.820 0.011 0.000 3.041 1492 A HA 0.343 4.663 4.320 -0.000 0.000 0.307 1492 A C 0.642 178.241 177.584 0.025 0.000 1.116 1492 A CA 0.027 52.095 52.037 0.052 0.000 1.001 1492 A CB -0.153 18.970 19.000 0.205 0.000 1.112 1492 A HN 0.880 nan 8.150 nan 0.000 0.556 1493 E N 1.423 121.619 120.200 -0.007 0.000 2.499 1493 E HA 0.046 4.396 4.350 -0.000 0.000 0.207 1493 E C 0.136 176.725 176.600 -0.018 0.000 1.034 1493 E CA -0.004 56.378 56.400 -0.029 0.000 1.098 1493 E CB 0.354 30.024 29.700 -0.050 0.000 1.148 1493 E HN 0.886 nan 8.360 nan 0.000 0.447 1494 E N 0.197 120.395 120.200 -0.002 0.000 2.267 1494 E HA 0.199 4.549 4.350 -0.000 0.000 0.258 1494 E C -0.002 176.595 176.600 -0.004 0.000 1.074 1494 E CA -0.716 55.684 56.400 -0.001 0.000 0.915 1494 E CB 0.662 30.368 29.700 0.010 0.000 1.186 1494 E HN -0.232 nan 8.360 nan 0.000 0.439 1495 N N -0.206 118.484 118.700 -0.017 0.000 2.344 1495 N HA -0.025 4.715 4.740 -0.000 0.000 0.236 1495 N C 0.803 176.300 175.510 -0.021 0.000 1.279 1495 N CA -0.106 52.918 53.050 -0.043 0.000 0.882 1495 N CB 0.304 38.743 38.487 -0.079 0.000 1.110 1495 N HN 0.489 nan 8.380 nan 0.000 0.436 1496 c N 0.244 118.814 118.600 -0.049 0.000 2.435 1496 c HA 0.058 4.628 4.570 -0.000 0.000 0.279 1496 c C 0.689 174.935 174.090 0.260 0.000 1.321 1496 c CA 0.556 56.938 56.329 0.088 0.000 1.752 1496 c CB -1.470 41.111 42.510 0.118 0.000 1.959 1496 c HN 0.779 nan 8.230 nan 0.000 0.500 1497 F N -4.075 115.847 119.950 -0.045 0.000 3.394 1497 F HA 0.431 4.958 4.527 -0.000 0.000 0.329 1497 F C -1.180 174.572 175.800 -0.081 0.000 1.063 1497 F CA -1.587 56.375 58.000 -0.062 0.000 0.832 1497 F CB -0.121 38.811 39.000 -0.113 0.000 1.530 1497 F HN -0.294 nan 8.300 nan 0.000 0.459 1498 I N 3.490 124.115 120.570 0.093 0.000 2.578 1498 I HA 0.058 4.228 4.170 -0.000 0.000 0.286 1498 I C 0.907 176.886 176.117 -0.230 0.000 1.126 1498 I CA 0.787 62.075 61.300 -0.020 0.000 1.380 1498 I CB 0.570 38.668 38.000 0.163 0.000 1.408 1498 I HN 0.861 nan 8.210 nan 0.000 0.532 1499 Q N 6.324 125.972 119.800 -0.253 0.000 2.689 1499 Q HA -0.414 3.926 4.340 -0.000 0.000 0.471 1499 Q C 0.624 176.466 176.000 -0.264 0.000 0.490 1499 Q CA 2.077 57.742 55.803 -0.229 0.000 1.012 1499 Q CB -0.599 28.088 28.738 -0.086 0.000 1.862 1499 Q HN 0.570 nan 8.270 nan 0.000 1.107 1500 K N 0.164 120.442 120.400 -0.204 0.000 3.196 1500 K HA -0.093 4.227 4.320 -0.000 0.000 0.259 1500 K C -0.826 175.722 176.600 -0.086 0.000 1.221 1500 K CA 1.971 58.161 56.287 -0.162 0.000 0.785 1500 K CB -1.637 30.773 32.500 -0.150 0.000 1.411 1500 K HN 1.934 nan 8.250 nan 0.000 0.513 1501 S N -1.326 114.348 115.700 -0.042 0.000 3.522 1501 S HA -0.210 4.260 4.470 -0.000 0.000 0.829 1501 S C 0.772 175.362 174.600 -0.016 0.000 1.219 1501 S CA 1.218 59.413 58.200 -0.007 0.000 1.016 1501 S CB -0.831 62.371 63.200 0.004 0.000 0.587 1501 S HN 0.553 nan 8.310 nan 0.000 0.357 1502 D N 0.947 121.345 120.400 -0.003 0.000 2.162 1502 D HA 0.208 4.848 4.640 -0.000 0.000 0.205 1502 D C 0.558 176.855 176.300 -0.005 0.000 0.964 1502 D CA 1.539 55.535 54.000 -0.006 0.000 0.847 1502 D CB 0.175 40.975 40.800 -0.001 0.000 0.988 1502 D HN 0.563 nan 8.370 nan 0.000 0.480 1503 D N -1.887 118.516 120.400 0.004 0.000 2.626 1503 D HA 0.073 4.713 4.640 -0.000 0.000 0.278 1503 D C 0.104 176.412 176.300 0.013 0.000 1.211 1503 D CA -0.406 53.597 54.000 0.004 0.000 0.903 1503 D CB 1.973 42.776 40.800 0.005 0.000 1.408 1503 D HN 0.000 nan 8.370 nan 0.000 0.454 1504 K N -0.690 119.717 120.400 0.011 0.000 8.640 1504 K HA -0.313 4.007 4.320 -0.000 0.000 0.409 1504 K C -0.222 176.396 176.600 0.030 0.000 0.538 1504 K CA 1.739 58.036 56.287 0.018 0.000 1.437 1504 K CB -1.687 30.826 32.500 0.021 0.000 0.799 1504 K HN 0.791 nan 8.250 nan 0.000 1.060 1505 V N 1.566 121.515 119.914 0.057 0.000 3.283 1505 V HA -0.146 3.974 4.120 -0.000 0.000 0.461 1505 V C 0.204 176.343 176.094 0.075 0.000 0.682 1505 V CA 1.064 63.425 62.300 0.102 0.000 1.989 1505 V CB -1.412 30.488 31.823 0.129 0.000 2.451 1505 V HN 0.886 nan 8.190 nan 0.000 0.496 1506 T N 5.142 119.740 114.554 0.073 0.000 2.912 1506 T HA 0.539 4.889 4.350 -0.000 0.000 0.280 1506 T C 1.128 175.851 174.700 0.039 0.000 0.989 1506 T CA -0.169 61.958 62.100 0.044 0.000 0.995 1506 T CB 1.935 70.826 68.868 0.037 0.000 1.077 1506 T HN 0.587 nan 8.240 nan 0.000 0.531 1507 L N 0.338 121.581 121.223 0.034 0.000 2.083 1507 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 1507 L C 2.144 179.054 176.870 0.067 0.000 1.083 1507 L CA 1.894 56.767 54.840 0.056 0.000 0.752 1507 L CB -0.322 41.770 42.059 0.056 0.000 0.899 1507 L HN 0.640 nan 8.230 nan 0.000 0.433 1508 E N -0.017 120.205 120.200 0.037 0.000 2.107 1508 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 1508 E C 1.978 178.588 176.600 0.017 0.000 0.982 1508 E CA 0.970 57.381 56.400 0.019 0.000 0.809 1508 E CB -0.099 29.605 29.700 0.007 0.000 0.756 1508 E HN 0.424 nan 8.360 nan 0.000 0.459 1509 E N 0.292 120.510 120.200 0.030 0.000 2.204 1509 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 1509 E C 1.907 178.508 176.600 0.002 0.000 0.989 1509 E CA 0.611 57.033 56.400 0.037 0.000 0.824 1509 E CB 0.163 29.912 29.700 0.081 0.000 0.756 1509 E HN 0.110 nan 8.360 nan 0.000 0.477 1510 R N -0.233 120.264 120.500 -0.005 0.000 2.062 1510 R HA -0.054 4.286 4.340 -0.000 0.000 0.226 1510 R C 2.321 178.642 176.300 0.035 0.000 1.125 1510 R CA 0.429 56.482 56.100 -0.079 0.000 0.966 1510 R CB -0.154 30.030 30.300 -0.194 0.000 0.861 1510 R HN 0.153 nan 8.270 nan 0.000 0.433 1511 L N 1.513 122.825 121.223 0.147 0.000 2.079 1511 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 1511 L C 1.488 178.292 176.870 -0.110 0.000 1.081 1511 L CA 1.800 56.658 54.840 0.029 0.000 0.752 1511 L CB -0.848 41.205 42.059 -0.011 0.000 0.896 1511 L HN 0.099 nan 8.230 nan 0.000 0.433 1512 D N -0.624 119.721 120.400 -0.092 0.000 2.091 1512 D HA -0.131 4.508 4.640 -0.000 0.000 0.199 1512 D C 2.228 178.427 176.300 -0.168 0.000 0.980 1512 D CA 1.063 54.997 54.000 -0.109 0.000 0.831 1512 D CB 0.039 40.806 40.800 -0.055 0.000 0.987 1512 D HN 0.200 nan 8.370 nan 0.000 0.460 1513 K N 0.350 120.643 120.400 -0.178 0.000 2.147 1513 K HA 0.030 4.350 4.320 -0.000 0.000 0.205 1513 K C 1.872 178.116 176.600 -0.594 0.000 1.049 1513 K CA 1.011 57.187 56.287 -0.185 0.000 0.936 1513 K CB 0.026 32.554 32.500 0.045 0.000 0.722 1513 K HN 0.021 nan 8.250 nan 0.000 0.446 1514 A N -0.119 122.067 122.820 -1.057 0.000 2.119 1514 A HA -0.067 4.252 4.320 -0.000 0.000 0.216 1514 A C 1.643 178.770 177.584 -0.762 0.000 1.152 1514 A CA 0.723 51.810 52.037 -1.584 0.000 0.708 1514 A CB -0.169 18.064 19.000 -1.278 0.000 0.805 1514 A HN 0.363 nan 8.150 nan 0.000 0.460 1515 c N 0.812 119.130 118.600 -0.469 0.000 2.884 1515 c HA 0.241 4.811 4.570 -0.000 0.000 0.287 1515 c C 0.600 174.565 174.090 -0.208 0.000 1.310 1515 c CA -0.841 55.315 56.329 -0.289 0.000 1.725 1515 c CB -1.465 40.914 42.510 -0.219 0.000 2.060 1515 c HN 0.515 nan 8.230 nan 0.000 0.618 1516 E N 2.493 122.562 120.200 -0.219 0.000 2.398 1516 E HA 0.029 4.379 4.350 -0.000 0.000 0.263 1516 E C -1.252 175.287 176.600 -0.101 0.000 1.046 1516 E CA -0.849 55.476 56.400 -0.125 0.000 0.908 1516 E CB 0.682 30.331 29.700 -0.085 0.000 0.963 1516 E HN 0.199 nan 8.360 nan 0.000 0.431 1517 P HA -0.202 nan 4.420 nan 0.000 0.216 1517 P C 1.181 178.460 177.300 -0.035 0.000 1.154 1517 P CA 1.438 64.512 63.100 -0.043 0.000 0.865 1517 P CB 0.037 31.723 31.700 -0.024 0.000 0.789 1518 G N -0.380 108.404 108.800 -0.028 0.000 2.598 1518 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.215 1518 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.215 1518 G C 0.500 175.382 174.900 -0.030 0.000 1.131 1518 G CA -0.046 45.047 45.100 -0.013 0.000 0.785 1518 G HN 0.203 nan 8.290 nan 0.000 0.539 1519 V N 1.207 121.075 119.914 -0.076 0.000 2.479 1519 V HA 0.115 4.235 4.120 -0.000 0.000 0.281 1519 V C 0.936 176.969 176.094 -0.101 0.000 1.031 1519 V CA 0.361 62.582 62.300 -0.132 0.000 1.038 1519 V CB 1.393 33.051 31.823 -0.275 0.000 0.981 1519 V HN 0.277 nan 8.190 nan 0.000 0.478 1520 D N 3.028 123.384 120.400 -0.073 0.000 2.379 1520 D HA 0.104 4.744 4.640 -0.000 0.000 0.218 1520 D C 0.028 176.427 176.300 0.165 0.000 1.006 1520 D CA 0.409 54.461 54.000 0.087 0.000 0.893 1520 D CB 0.469 41.397 40.800 0.213 0.000 1.019 1520 D HN 0.647 nan 8.370 nan 0.000 0.503 1521 Y N -1.801 118.525 120.300 0.043 0.000 2.524 1521 Y HA 0.685 5.235 4.550 -0.000 0.000 0.347 1521 Y C -1.542 174.275 175.900 -0.139 0.000 1.005 1521 Y CA -1.457 56.590 58.100 -0.088 0.000 1.025 1521 Y CB 1.307 39.649 38.460 -0.196 0.000 1.275 1521 Y HN -0.298 nan 8.280 nan 0.000 0.460 1522 V N 4.046 123.910 119.914 -0.083 0.000 2.612 1522 V HA 0.419 4.539 4.120 -0.000 0.000 0.301 1522 V C -1.531 174.750 176.094 0.311 0.000 1.059 1522 V CA -0.772 61.610 62.300 0.137 0.000 0.886 1522 V CB 1.133 33.090 31.823 0.223 0.000 1.007 1522 V HN 0.733 nan 8.190 nan 0.000 0.426 1523 Y N 2.087 122.697 120.300 0.516 0.000 2.536 1523 Y HA 0.611 5.160 4.550 -0.000 0.000 0.347 1523 Y C 0.113 176.238 175.900 0.376 0.000 1.000 1523 Y CA -1.820 56.518 58.100 0.396 0.000 1.051 1523 Y CB 1.901 40.570 38.460 0.348 0.000 1.259 1523 Y HN 0.499 nan 8.280 nan 0.000 0.468 1524 K N 0.724 121.391 120.400 0.445 0.000 2.156 1524 K HA 0.674 4.994 4.320 -0.000 0.000 0.271 1524 K C -1.018 175.681 176.600 0.165 0.000 0.995 1524 K CA -0.184 56.255 56.287 0.254 0.000 0.890 1524 K CB 0.978 33.422 32.500 -0.093 0.000 1.073 1524 K HN 0.778 nan 8.250 nan 0.000 0.454 1525 T N 2.925 117.572 114.554 0.156 0.000 2.912 1525 T HA 0.334 4.684 4.350 -0.000 0.000 0.299 1525 T C -1.492 173.214 174.700 0.010 0.000 1.052 1525 T CA -0.695 61.456 62.100 0.086 0.000 0.996 1525 T CB 1.221 70.142 68.868 0.088 0.000 1.070 1525 T HN 0.621 nan 8.240 nan 0.000 0.465 1526 R N 3.056 123.486 120.500 -0.116 0.000 2.534 1526 R HA 0.567 4.907 4.340 -0.000 0.000 0.301 1526 R C -1.231 174.999 176.300 -0.116 0.000 0.961 1526 R CA -0.863 55.052 56.100 -0.309 0.000 0.871 1526 R CB 0.890 30.898 30.300 -0.487 0.000 1.170 1526 R HN 0.389 nan 8.270 nan 0.000 0.446 1527 L N 6.484 127.683 121.223 -0.039 0.000 2.325 1527 L HA 0.097 4.437 4.340 -0.000 0.000 0.284 1527 L C 0.609 177.480 176.870 0.002 0.000 1.089 1527 L CA 0.434 55.286 54.840 0.020 0.000 0.836 1527 L CB 1.326 43.444 42.059 0.099 0.000 1.184 1527 L HN 0.683 nan 8.230 nan 0.000 0.444 1528 V N 4.453 124.372 119.914 0.008 0.000 2.825 1528 V HA 0.260 4.380 4.120 -0.000 0.000 0.246 1528 V C 0.684 176.793 176.094 0.024 0.000 1.068 1528 V CA 0.613 62.916 62.300 0.006 0.000 1.088 1528 V CB -0.091 31.731 31.823 -0.001 0.000 0.733 1528 V HN 0.826 nan 8.190 nan 0.000 0.468 1529 K N -0.083 120.342 120.400 0.042 0.000 2.525 1529 K HA 0.586 4.906 4.320 -0.000 0.000 0.254 1529 K C -1.892 174.742 176.600 0.056 0.000 0.934 1529 K CA -0.597 55.715 56.287 0.041 0.000 0.802 1529 K CB 2.592 35.109 32.500 0.028 0.000 1.295 1529 K HN 0.051 nan 8.250 nan 0.000 0.433 1530 V N 4.285 124.226 119.914 0.044 0.000 2.370 1530 V HA 0.300 4.420 4.120 -0.000 0.000 0.283 1530 V C -0.749 175.318 176.094 -0.046 0.000 1.023 1530 V CA -0.615 61.690 62.300 0.009 0.000 0.857 1530 V CB 1.453 33.319 31.823 0.071 0.000 0.985 1530 V HN 0.752 nan 8.190 nan 0.000 0.443 1531 Q N 5.069 124.806 119.800 -0.106 0.000 2.394 1531 Q HA 0.552 4.892 4.340 -0.000 0.000 0.259 1531 Q C -0.869 175.054 176.000 -0.127 0.000 1.021 1531 Q CA -0.259 55.493 55.803 -0.085 0.000 0.805 1531 Q CB 1.813 30.520 28.738 -0.050 0.000 1.226 1531 Q HN 0.635 nan 8.270 nan 0.000 0.476 1532 L N 1.468 122.638 121.223 -0.089 0.000 2.418 1532 L HA 0.548 4.888 4.340 -0.000 0.000 0.265 1532 L C 0.542 177.386 176.870 -0.044 0.000 1.143 1532 L CA -0.162 54.630 54.840 -0.080 0.000 0.809 1532 L CB 0.983 43.014 42.059 -0.048 0.000 1.124 1532 L HN 0.706 nan 8.230 nan 0.000 0.456 1533 S N -0.569 115.111 115.700 -0.033 0.000 2.757 1533 S HA 0.252 4.722 4.470 -0.000 0.000 0.285 1533 S C 0.204 174.795 174.600 -0.015 0.000 1.196 1533 S CA -0.563 57.630 58.200 -0.011 0.000 0.856 1533 S CB 1.145 64.352 63.200 0.011 0.000 1.212 1533 S HN 0.650 nan 8.310 nan 0.000 0.516 1534 N N 0.982 119.678 118.700 -0.006 0.000 2.409 1534 N HA -0.007 4.733 4.740 -0.000 0.000 0.179 1534 N C 0.476 175.956 175.510 -0.050 0.000 1.032 1534 N CA 1.727 54.765 53.050 -0.019 0.000 0.898 1534 N CB -0.695 37.789 38.487 -0.005 0.000 0.971 1534 N HN 0.764 nan 8.380 nan 0.000 0.441 1535 D N -1.076 119.298 120.400 -0.045 0.000 3.084 1535 D HA 0.158 4.798 4.640 -0.000 0.000 0.294 1535 D C -0.419 175.664 176.300 -0.362 0.000 1.165 1535 D CA 0.061 53.977 54.000 -0.141 0.000 1.008 1535 D CB -0.274 40.545 40.800 0.032 0.000 1.266 1535 D HN 0.118 nan 8.370 nan 0.000 0.449 1536 F N 1.228 121.152 119.950 -0.044 0.000 2.540 1536 F HA 0.373 4.900 4.527 -0.000 0.000 0.317 1536 F C -0.439 175.314 175.800 -0.079 0.000 1.104 1536 F CA -1.162 56.806 58.000 -0.053 0.000 0.913 1536 F CB 1.955 40.919 39.000 -0.060 0.000 1.170 1536 F HN -0.276 nan 8.300 nan 0.000 0.450 1537 D N 2.417 122.846 120.400 0.047 0.000 2.210 1537 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 1537 D C -0.602 175.553 176.300 -0.242 0.000 1.062 1537 D CA -0.308 53.593 54.000 -0.165 0.000 0.891 1537 D CB 1.492 42.094 40.800 -0.329 0.000 1.186 1537 D HN 0.549 nan 8.370 nan 0.000 0.432 1538 E N 1.235 121.251 120.200 -0.306 0.000 2.158 1538 E HA 0.275 4.625 4.350 -0.000 0.000 0.271 1538 E C -0.862 175.515 176.600 -0.372 0.000 0.911 1538 E CA -0.686 55.589 56.400 -0.208 0.000 0.767 1538 E CB 1.320 30.991 29.700 -0.049 0.000 1.120 1538 E HN 0.354 nan 8.360 nan 0.000 0.405 1539 Y N 2.162 122.522 120.300 0.101 0.000 2.369 1539 Y HA 0.332 4.882 4.550 -0.000 0.000 0.337 1539 Y C 0.238 176.199 175.900 0.102 0.000 0.961 1539 Y CA -0.751 57.382 58.100 0.055 0.000 1.186 1539 Y CB 0.722 39.170 38.460 -0.021 0.000 1.139 1539 Y HN 0.365 nan 8.280 nan 0.000 0.494 1540 I N 5.438 126.111 120.570 0.172 0.000 2.294 1540 I HA 0.149 4.319 4.170 -0.000 0.000 0.295 1540 I C -0.391 175.791 176.117 0.108 0.000 1.098 1540 I CA 0.033 61.420 61.300 0.146 0.000 1.277 1540 I CB 0.157 38.209 38.000 0.087 0.000 1.434 1540 I HN 0.475 nan 8.210 nan 0.000 0.498 1541 M N 5.272 124.947 119.600 0.125 0.000 2.238 1541 M HA 0.458 4.938 4.480 -0.000 0.000 0.350 1541 M C 0.088 176.405 176.300 0.028 0.000 1.138 1541 M CA -0.450 54.860 55.300 0.018 0.000 1.040 1541 M CB 1.608 34.120 32.600 -0.146 0.000 1.639 1541 M HN 0.530 nan 8.290 nan 0.000 0.451 1542 A N 4.404 127.216 122.820 -0.014 0.000 2.331 1542 A HA 0.644 4.964 4.320 -0.000 0.000 0.283 1542 A C -0.158 177.396 177.584 -0.050 0.000 1.142 1542 A CA -0.528 51.493 52.037 -0.026 0.000 0.812 1542 A CB 0.031 19.014 19.000 -0.029 0.000 1.074 1542 A HN 0.826 nan 8.150 nan 0.000 0.497 1543 I N 2.838 123.357 120.570 -0.085 0.000 2.281 1543 I HA 0.107 4.276 4.170 -0.000 0.000 0.293 1543 I C 1.099 177.168 176.117 -0.079 0.000 1.085 1543 I CA 0.219 61.435 61.300 -0.140 0.000 1.257 1543 I CB 0.815 38.593 38.000 -0.369 0.000 1.430 1543 I HN 0.881 nan 8.210 nan 0.000 0.489 1544 E N 4.069 124.251 120.200 -0.029 0.000 2.107 1544 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 1544 E C 0.410 177.004 176.600 -0.010 0.000 0.982 1544 E CA 0.802 57.191 56.400 -0.018 0.000 0.809 1544 E CB 0.288 29.982 29.700 -0.010 0.000 0.756 1544 E HN 0.578 nan 8.360 nan 0.000 0.459 1545 Q N 0.390 120.207 119.800 0.028 0.000 2.289 1545 Q HA 0.140 4.480 4.340 -0.000 0.000 0.270 1545 Q C -1.292 174.819 176.000 0.186 0.000 1.038 1545 Q CA -0.308 55.544 55.803 0.082 0.000 0.812 1545 Q CB 2.208 30.995 28.738 0.082 0.000 1.300 1545 Q HN 0.035 nan 8.270 nan 0.000 0.427 1546 T N 0.654 115.325 114.554 0.194 0.000 3.316 1546 T HA 0.324 4.674 4.350 -0.000 0.000 0.341 1546 T C 1.203 176.089 174.700 0.308 0.000 1.397 1546 T CA -0.285 62.030 62.100 0.359 0.000 1.085 1546 T CB -0.424 68.611 68.868 0.277 0.000 1.160 1546 T HN 0.539 nan 8.240 nan 0.000 0.694 1547 I N 0.684 121.458 120.570 0.341 0.000 2.264 1547 I HA -0.040 4.130 4.170 -0.000 0.000 0.248 1547 I C 1.297 177.515 176.117 0.169 0.000 1.111 1547 I CA 1.221 62.665 61.300 0.240 0.000 1.382 1547 I CB 0.005 38.189 38.000 0.308 0.000 1.060 1547 I HN 0.481 nan 8.210 nan 0.000 0.418 1548 K N 0.623 121.151 120.400 0.213 0.000 2.482 1548 K HA 0.390 4.710 4.320 -0.000 0.000 0.251 1548 K C -0.908 175.845 176.600 0.255 0.000 0.936 1548 K CA -0.563 55.816 56.287 0.153 0.000 0.791 1548 K CB 1.608 34.140 32.500 0.052 0.000 1.213 1548 K HN 0.040 nan 8.250 nan 0.000 0.428 1549 S N 1.663 117.509 115.700 0.243 0.000 2.532 1549 S HA 0.825 5.295 4.470 -0.000 0.000 0.301 1549 S C 0.106 174.860 174.600 0.257 0.000 1.083 1549 S CA -0.511 57.885 58.200 0.325 0.000 1.025 1549 S CB 1.865 65.237 63.200 0.288 0.000 1.056 1549 S HN 0.800 nan 8.310 nan 0.000 0.494 1550 G N 0.697 109.691 108.800 0.323 0.000 3.364 1550 G HA2 0.409 4.369 3.960 -0.000 0.000 0.191 1550 G HA3 0.409 4.369 3.960 -0.000 0.000 0.191 1550 G C 0.736 175.770 174.900 0.224 0.000 1.352 1550 G CA -0.085 45.179 45.100 0.273 0.000 0.758 1550 G HN 0.605 nan 8.290 nan 0.000 0.730 1551 S N 0.118 115.963 115.700 0.242 0.000 2.368 1551 S HA -0.000 4.470 4.470 -0.000 0.000 0.224 1551 S C 0.758 175.306 174.600 -0.087 0.000 1.029 1551 S CA 0.771 59.009 58.200 0.063 0.000 0.988 1551 S CB -0.210 63.025 63.200 0.058 0.000 0.838 1551 S HN 0.450 nan 8.310 nan 0.000 0.462 1552 D N 2.727 123.036 120.400 -0.151 0.000 2.346 1552 D HA 0.033 4.673 4.640 -0.000 0.000 0.260 1552 D C -0.395 175.946 176.300 0.067 0.000 1.252 1552 D CA -0.024 53.908 54.000 -0.114 0.000 0.895 1552 D CB 0.320 41.087 40.800 -0.055 0.000 1.097 1552 D HN 0.415 nan 8.370 nan 0.000 0.489 1553 E N 2.736 122.950 120.200 0.022 0.000 1.941 1553 E HA 0.239 4.588 4.350 -0.000 0.000 0.275 1553 E C -0.285 176.337 176.600 0.036 0.000 1.113 1553 E CA -0.671 55.758 56.400 0.050 0.000 0.878 1553 E CB 0.541 30.258 29.700 0.027 0.000 1.070 1553 E HN 0.086 nan 8.360 nan 0.000 0.399 1554 V N 1.669 121.616 119.914 0.055 0.000 2.394 1554 V HA 0.153 4.273 4.120 -0.000 0.000 0.282 1554 V C 0.200 176.293 176.094 -0.002 0.000 1.031 1554 V CA -1.179 61.124 62.300 0.006 0.000 0.881 1554 V CB 1.107 32.896 31.823 -0.055 0.000 0.982 1554 V HN 0.484 nan 8.190 nan 0.000 0.451 1555 Q N 2.160 121.954 119.800 -0.010 0.000 2.394 1555 Q HA 0.339 4.679 4.340 -0.000 0.000 0.248 1555 Q C -0.153 175.832 176.000 -0.025 0.000 0.992 1555 Q CA -0.054 55.743 55.803 -0.009 0.000 0.888 1555 Q CB 1.210 29.943 28.738 -0.008 0.000 1.257 1555 Q HN 0.667 nan 8.270 nan 0.000 0.462 1556 V N 2.387 122.291 119.914 -0.016 0.000 2.540 1556 V HA 0.262 4.382 4.120 -0.000 0.000 0.297 1556 V C 1.368 177.446 176.094 -0.026 0.000 1.024 1556 V CA 1.867 64.153 62.300 -0.022 0.000 1.105 1556 V CB 0.130 31.949 31.823 -0.008 0.000 0.938 1556 V HN 0.997 nan 8.190 nan 0.000 0.482 1557 G N 3.626 112.403 108.800 -0.037 0.000 2.195 1557 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.246 1557 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.246 1557 G C 0.190 175.072 174.900 -0.030 0.000 0.984 1557 G CA 0.092 45.175 45.100 -0.030 0.000 0.633 1557 G HN 0.636 nan 8.290 nan 0.000 0.525 1558 Q N 0.481 120.258 119.800 -0.038 0.000 2.373 1558 Q HA 0.473 4.812 4.340 -0.000 0.000 0.255 1558 Q C 0.425 176.408 176.000 -0.028 0.000 0.980 1558 Q CA 0.136 55.922 55.803 -0.028 0.000 0.882 1558 Q CB 0.558 29.279 28.738 -0.028 0.000 1.249 1558 Q HN 0.576 nan 8.270 nan 0.000 0.438 1559 Q N 1.491 121.290 119.800 -0.002 0.000 2.259 1559 Q HA 0.376 4.716 4.340 -0.000 0.000 0.246 1559 Q C -0.635 175.394 176.000 0.048 0.000 0.920 1559 Q CA -0.320 55.497 55.803 0.023 0.000 0.895 1559 Q CB 1.017 29.775 28.738 0.033 0.000 1.220 1559 Q HN 0.177 nan 8.270 nan 0.000 0.439 1560 R N 0.675 121.235 120.500 0.100 0.000 2.673 1560 R HA 0.427 4.767 4.340 -0.000 0.000 0.281 1560 R C -1.163 175.272 176.300 0.226 0.000 0.991 1560 R CA -0.620 55.557 56.100 0.128 0.000 0.896 1560 R CB 2.124 32.437 30.300 0.022 0.000 1.201 1560 R HN 0.575 nan 8.270 nan 0.000 0.457 1561 T N 3.663 118.322 114.554 0.175 0.000 2.743 1561 T HA 0.464 4.814 4.350 -0.000 0.000 0.293 1561 T C -0.098 174.721 174.700 0.198 0.000 0.945 1561 T CA -0.044 62.190 62.100 0.224 0.000 1.030 1561 T CB 0.026 68.984 68.868 0.149 0.000 0.912 1561 T HN 0.197 nan 8.240 nan 0.000 0.483 1562 F N 2.810 122.863 119.950 0.172 0.000 2.421 1562 F HA 0.584 5.111 4.527 0.000 0.000 0.337 1562 F C 0.453 176.391 175.800 0.229 0.000 1.105 1562 F CA -1.109 57.023 58.000 0.221 0.000 1.049 1562 F CB 1.028 40.127 39.000 0.165 0.000 1.139 1562 F HN 0.313 nan 8.300 nan 0.000 0.479 1563 I N 2.078 122.841 120.570 0.322 0.000 2.433 1563 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 1563 I C -0.459 175.829 176.117 0.285 0.000 1.001 1563 I CA -0.338 61.088 61.300 0.210 0.000 1.119 1563 I CB 2.061 40.069 38.000 0.013 0.000 1.289 1563 I HN 0.477 nan 8.210 nan 0.000 0.438 1564 S N 6.491 122.402 115.700 0.351 0.000 2.541 1564 S HA 0.586 5.056 4.470 -0.000 0.000 0.280 1564 S C -2.750 172.039 174.600 0.316 0.000 1.112 1564 S CA -1.529 56.888 58.200 0.360 0.000 0.925 1564 S CB 1.925 65.350 63.200 0.376 0.000 1.067 1564 S HN 0.156 nan 8.310 nan 0.000 0.479 1565 P HA 0.146 nan 4.420 nan 0.000 0.264 1565 P C 1.153 178.363 177.300 -0.149 0.000 1.193 1565 P CA 0.025 62.947 63.100 -0.296 0.000 0.763 1565 P CB 0.218 31.785 31.700 -0.222 0.000 0.810 1566 I N 3.223 123.656 120.570 -0.230 0.000 2.181 1566 I HA -0.364 3.806 4.170 -0.000 0.000 0.247 1566 I C 1.995 178.077 176.117 -0.058 0.000 1.081 1566 I CA 2.031 63.264 61.300 -0.111 0.000 1.340 1566 I CB -0.475 37.444 38.000 -0.134 0.000 1.036 1566 I HN 0.523 nan 8.210 nan 0.000 0.417 1567 K N -0.118 120.232 120.400 -0.083 0.000 2.589 1567 K HA -0.121 4.199 4.320 -0.000 0.000 0.195 1567 K C 1.547 178.147 176.600 0.000 0.000 1.040 1567 K CA 1.173 57.438 56.287 -0.037 0.000 0.950 1567 K CB -0.443 32.028 32.500 -0.049 0.000 0.781 1567 K HN 0.308 nan 8.250 nan 0.000 0.486 1568 c N 0.470 119.085 118.600 0.024 0.000 3.070 1568 c HA 0.300 4.870 4.570 -0.000 0.000 0.280 1568 c C 2.109 176.253 174.090 0.091 0.000 1.264 1568 c CA -0.726 55.648 56.329 0.075 0.000 1.690 1568 c CB -0.455 42.123 42.510 0.114 0.000 2.049 1568 c HN 0.491 nan 8.230 nan 0.000 0.636 1569 R N 1.579 122.129 120.500 0.084 0.000 2.094 1569 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 1569 R C 2.010 178.343 176.300 0.054 0.000 1.137 1569 R CA 1.962 58.120 56.100 0.098 0.000 0.943 1569 R CB -0.396 29.953 30.300 0.081 0.000 0.850 1569 R HN 0.576 nan 8.270 nan 0.000 0.433 1570 E N 0.467 120.691 120.200 0.041 0.000 2.097 1570 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 1570 E C 1.864 178.485 176.600 0.035 0.000 1.000 1570 E CA 1.680 58.096 56.400 0.027 0.000 0.804 1570 E CB -0.073 29.637 29.700 0.018 0.000 0.740 1570 E HN 0.399 nan 8.360 nan 0.000 0.454 1571 A N -0.014 122.847 122.820 0.069 0.000 1.930 1571 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 1571 A C 2.155 179.840 177.584 0.169 0.000 1.176 1571 A CA 0.831 52.949 52.037 0.135 0.000 0.632 1571 A CB -0.391 18.710 19.000 0.168 0.000 0.819 1571 A HN 0.306 nan 8.150 nan 0.000 0.445 1572 L N -1.346 119.903 121.223 0.042 0.000 2.131 1572 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 1572 L C 0.627 177.357 176.870 -0.233 0.000 1.087 1572 L CA 0.659 55.356 54.840 -0.238 0.000 0.767 1572 L CB -0.278 41.564 42.059 -0.361 0.000 0.917 1572 L HN 0.293 nan 8.230 nan 0.000 0.441 1573 K N 1.457 121.787 120.400 -0.116 0.000 3.177 1573 K HA -0.192 4.128 4.320 -0.000 0.000 0.266 1573 K C -0.494 176.035 176.600 -0.119 0.000 0.937 1573 K CA 0.374 56.611 56.287 -0.082 0.000 0.702 1573 K CB -1.590 30.877 32.500 -0.056 0.000 1.365 1573 K HN 0.317 nan 8.250 nan 0.000 0.466 1574 L N 1.373 122.466 121.223 -0.216 0.000 2.319 1574 L HA 0.178 4.518 4.340 -0.000 0.000 0.280 1574 L C 0.808 177.661 176.870 -0.028 0.000 1.099 1574 L CA 0.122 54.803 54.840 -0.264 0.000 0.828 1574 L CB 0.687 42.306 42.059 -0.734 0.000 1.150 1574 L HN 0.127 nan 8.230 nan 0.000 0.442 1575 E N 2.747 123.002 120.200 0.092 0.000 2.195 1575 E HA 0.278 4.628 4.350 -0.000 0.000 0.271 1575 E C -0.873 175.793 176.600 0.111 0.000 0.923 1575 E CA -0.805 55.645 56.400 0.084 0.000 0.790 1575 E CB 2.052 31.778 29.700 0.044 0.000 1.155 1575 E HN 0.506 nan 8.360 nan 0.000 0.402 1576 E N 1.711 121.958 120.200 0.078 0.000 2.414 1576 E HA -0.058 4.292 4.350 -0.000 0.000 0.263 1576 E C -0.140 176.481 176.600 0.035 0.000 1.000 1576 E CA 0.662 57.098 56.400 0.059 0.000 0.914 1576 E CB 0.422 30.149 29.700 0.043 0.000 0.948 1576 E HN 0.478 nan 8.360 nan 0.000 0.444 1577 K N 0.373 120.776 120.400 0.004 0.000 3.556 1577 K HA -0.149 4.171 4.320 -0.000 0.000 0.272 1577 K C -0.446 176.108 176.600 -0.077 0.000 1.243 1577 K CA 0.869 57.134 56.287 -0.036 0.000 0.981 1577 K CB -0.536 31.963 32.500 -0.001 0.000 1.319 1577 K HN 0.337 nan 8.250 nan 0.000 0.505 1578 K N 0.089 120.460 120.400 -0.049 0.000 2.106 1578 K HA 0.440 4.760 4.320 -0.000 0.000 0.246 1578 K C -0.487 175.923 176.600 -0.316 0.000 0.987 1578 K CA -0.701 55.535 56.287 -0.086 0.000 0.904 1578 K CB 0.951 33.432 32.500 -0.032 0.000 1.071 1578 K HN 0.066 nan 8.250 nan 0.000 0.453 1579 H N -0.417 118.436 119.070 -0.361 0.000 2.573 1579 H HA 0.414 4.970 4.556 -0.000 0.000 0.351 1579 H C -1.363 173.609 175.328 -0.594 0.000 1.163 1579 H CA -0.293 55.559 56.048 -0.327 0.000 1.205 1579 H CB 1.003 30.602 29.762 -0.272 0.000 1.605 1579 H HN 0.351 nan 8.280 nan 0.000 0.525 1580 Y N 0.694 121.127 120.300 0.221 0.000 2.513 1580 Y HA 0.241 4.790 4.550 -0.000 0.000 0.340 1580 Y C -1.129 174.975 175.900 0.339 0.000 1.055 1580 Y CA -1.006 57.210 58.100 0.194 0.000 1.020 1580 Y CB 1.511 39.969 38.460 -0.004 0.000 1.301 1580 Y HN 0.404 nan 8.280 nan 0.000 0.453 1581 L N 4.731 126.265 121.223 0.518 0.000 2.260 1581 L HA 0.614 4.954 4.340 -0.000 0.000 0.289 1581 L C -1.069 176.008 176.870 0.344 0.000 1.057 1581 L CA -0.256 54.885 54.840 0.502 0.000 0.811 1581 L CB 0.096 42.350 42.059 0.325 0.000 1.184 1581 L HN 0.604 nan 8.230 nan 0.000 0.429 1582 M N 5.743 125.559 119.600 0.361 0.000 2.321 1582 M HA 0.499 4.979 4.480 -0.000 0.000 0.315 1582 M C -1.424 175.100 176.300 0.374 0.000 1.052 1582 M CA -0.463 55.002 55.300 0.276 0.000 0.936 1582 M CB 1.779 34.514 32.600 0.225 0.000 1.639 1582 M HN 0.727 nan 8.290 nan 0.000 0.433 1583 W N 1.386 122.780 121.300 0.157 0.000 3.029 1583 W HA 0.966 5.626 4.660 -0.000 0.000 0.339 1583 W C -1.024 175.292 176.519 -0.338 0.000 1.198 1583 W CA -0.987 56.196 57.345 -0.270 0.000 1.148 1583 W CB 0.781 30.108 29.460 -0.221 0.000 1.451 1583 W HN 0.848 nan 8.180 nan 0.000 0.564 1584 G N 0.354 108.845 108.800 -0.514 0.000 2.488 1584 G HA2 0.558 4.517 3.960 -0.000 0.000 0.301 1584 G HA3 0.558 4.517 3.960 -0.000 0.000 0.301 1584 G C -1.890 172.887 174.900 -0.204 0.000 1.339 1584 G CA -1.262 43.745 45.100 -0.156 0.000 0.803 1584 G HN 0.817 nan 8.290 nan 0.000 0.482 1585 L N 0.369 121.583 121.223 -0.016 0.000 2.416 1585 L HA 0.456 4.796 4.340 -0.000 0.000 0.262 1585 L C 1.756 178.534 176.870 -0.154 0.000 1.093 1585 L CA -0.343 54.471 54.840 -0.043 0.000 0.801 1585 L CB 1.681 43.739 42.059 -0.001 0.000 1.191 1585 L HN 0.699 nan 8.230 nan 0.000 0.459 1586 S N -1.777 113.846 115.700 -0.128 0.000 2.562 1586 S HA -0.092 4.378 4.470 -0.000 0.000 0.221 1586 S C 1.531 176.075 174.600 -0.093 0.000 0.975 1586 S CA 0.362 58.426 58.200 -0.227 0.000 0.918 1586 S CB -0.256 63.057 63.200 0.189 0.000 0.772 1586 S HN 0.777 nan 8.310 nan 0.000 0.531 1587 S N 0.803 116.475 115.700 -0.047 0.000 2.603 1587 S HA 0.059 4.529 4.470 -0.000 0.000 0.229 1587 S C 0.517 175.115 174.600 -0.004 0.000 0.972 1587 S CA 0.328 58.536 58.200 0.013 0.000 0.935 1587 S CB -0.256 62.961 63.200 0.027 0.000 0.769 1587 S HN 0.385 nan 8.310 nan 0.000 0.536 1588 D N 0.327 120.657 120.400 -0.118 0.000 2.402 1588 D HA 0.333 4.973 4.640 -0.000 0.000 0.216 1588 D C -0.654 175.575 176.300 -0.119 0.000 1.128 1588 D CA -0.272 53.681 54.000 -0.078 0.000 0.833 1588 D CB -0.047 40.737 40.800 -0.026 0.000 0.971 1588 D HN 0.307 nan 8.370 nan 0.000 0.503 1589 F N 0.594 120.535 119.950 -0.016 0.000 2.418 1589 F HA 0.277 4.804 4.527 -0.000 0.000 0.341 1589 F C 0.570 176.422 175.800 0.086 0.000 1.120 1589 F CA -0.703 57.222 58.000 -0.125 0.000 1.232 1589 F CB 0.727 39.617 39.000 -0.183 0.000 1.175 1589 F HN -0.102 nan 8.300 nan 0.000 0.569 1590 W N 2.744 124.057 121.300 0.022 0.000 2.998 1590 W HA 0.487 5.147 4.660 0.000 0.000 0.335 1590 W C -0.159 176.326 176.519 -0.055 0.000 1.110 1590 W CA -0.346 56.981 57.345 -0.031 0.000 1.230 1590 W CB 2.083 31.507 29.460 -0.060 0.000 1.405 1590 W HN 0.851 nan 8.180 nan 0.000 0.493 1591 G N 3.266 111.651 108.800 -0.690 0.000 2.710 1591 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.668 1591 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.668 1591 G C -1.168 173.536 174.900 -0.326 0.000 1.320 1591 G CA -0.876 43.917 45.100 -0.511 0.000 0.860 1591 G HN 0.467 nan 8.290 nan 0.000 0.538 1592 E N 0.579 120.627 120.200 -0.254 0.000 2.214 1592 E HA 0.381 4.731 4.350 -0.000 0.000 0.274 1592 E C 0.480 176.977 176.600 -0.172 0.000 0.977 1592 E CA -0.719 55.566 56.400 -0.191 0.000 0.827 1592 E CB 1.480 31.085 29.700 -0.159 0.000 1.130 1592 E HN 0.741 nan 8.360 nan 0.000 0.394 1593 K N 1.618 121.916 120.400 -0.169 0.000 2.319 1593 K HA 0.173 4.493 4.320 -0.000 0.000 0.265 1593 K C -1.778 174.756 176.600 -0.111 0.000 1.000 1593 K CA -1.101 55.094 56.287 -0.154 0.000 0.943 1593 K CB 0.012 32.416 32.500 -0.161 0.000 0.950 1593 K HN 0.182 nan 8.250 nan 0.000 0.485 1594 P HA 0.080 nan 4.420 nan 0.000 0.254 1594 P C -0.976 176.271 177.300 -0.088 0.000 1.494 1594 P CA -0.075 62.970 63.100 -0.092 0.000 0.961 1594 P CB 0.070 31.732 31.700 -0.064 0.000 1.493 1595 N N 0.859 119.499 118.700 -0.100 0.000 2.806 1595 N HA 0.209 4.948 4.740 -0.000 0.000 0.315 1595 N C -0.194 175.258 175.510 -0.096 0.000 1.738 1595 N CA -0.238 52.765 53.050 -0.080 0.000 0.993 1595 N CB 0.845 39.291 38.487 -0.067 0.000 1.324 1595 N HN 0.208 nan 8.380 nan 0.000 0.493 1596 L N 0.573 121.721 121.223 -0.126 0.000 2.397 1596 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 1596 L C 0.776 177.622 176.870 -0.039 0.000 1.148 1596 L CA 0.177 54.916 54.840 -0.168 0.000 0.825 1596 L CB 0.819 42.632 42.059 -0.409 0.000 1.117 1596 L HN 0.089 nan 8.230 nan 0.000 0.456 1597 S N 0.675 116.382 115.700 0.011 0.000 2.704 1597 S HA 0.650 5.120 4.470 -0.000 0.000 0.305 1597 S C -1.246 173.384 174.600 0.050 0.000 1.107 1597 S CA -0.465 57.814 58.200 0.133 0.000 0.993 1597 S CB 1.347 64.672 63.200 0.208 0.000 1.110 1597 S HN 0.225 nan 8.310 nan 0.000 0.534 1598 Y N 0.482 120.680 120.300 -0.169 0.000 2.376 1598 Y HA 0.544 5.094 4.550 0.000 0.000 0.340 1598 Y C -0.114 175.736 175.900 -0.084 0.000 0.965 1598 Y CA -0.832 57.121 58.100 -0.245 0.000 1.078 1598 Y CB 0.712 38.612 38.460 -0.933 0.000 1.193 1598 Y HN 0.405 nan 8.280 nan 0.000 0.452 1599 I N 4.563 125.200 120.570 0.112 0.000 2.353 1599 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 1599 I C -0.326 175.912 176.117 0.201 0.000 0.992 1599 I CA -0.504 60.855 61.300 0.098 0.000 1.268 1599 I CB 1.004 38.990 38.000 -0.024 0.000 1.387 1599 I HN 0.427 nan 8.210 nan 0.000 0.478 1600 I N 5.517 126.231 120.570 0.240 0.000 2.352 1600 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 1600 I C 0.750 176.980 176.117 0.188 0.000 1.036 1600 I CA 0.136 61.583 61.300 0.245 0.000 1.336 1600 I CB 0.793 38.925 38.000 0.220 0.000 1.407 1600 I HN 0.706 nan 8.210 nan 0.000 0.497 1601 G N 4.639 113.544 108.800 0.176 0.000 3.086 1601 G HA2 0.312 4.272 3.960 -0.000 0.000 0.282 1601 G HA3 0.312 4.272 3.960 -0.000 0.000 0.282 1601 G C 0.408 175.388 174.900 0.133 0.000 1.343 1601 G CA -0.626 44.553 45.100 0.133 0.000 0.895 1601 G HN 0.676 nan 8.290 nan 0.000 0.557 1602 K N -1.045 119.408 120.400 0.087 0.000 2.360 1602 K HA 0.008 4.328 4.320 -0.000 0.000 0.201 1602 K C 0.144 176.798 176.600 0.090 0.000 1.046 1602 K CA 1.684 58.008 56.287 0.061 0.000 0.945 1602 K CB 0.235 32.754 32.500 0.031 0.000 0.750 1602 K HN 0.220 nan 8.250 nan 0.000 0.464 1603 D N 1.131 121.603 120.400 0.120 0.000 2.462 1603 D HA 0.064 4.704 4.640 -0.000 0.000 0.221 1603 D C -0.604 175.814 176.300 0.197 0.000 1.173 1603 D CA 0.105 54.198 54.000 0.155 0.000 0.831 1603 D CB 0.983 41.860 40.800 0.128 0.000 1.001 1603 D HN 0.095 nan 8.370 nan 0.000 0.499 1604 T N 0.840 115.506 114.554 0.187 0.000 2.749 1604 T HA 0.077 4.427 4.350 -0.000 0.000 0.287 1604 T C -0.129 174.631 174.700 0.101 0.000 0.970 1604 T CA -0.579 61.625 62.100 0.173 0.000 0.980 1604 T CB 1.461 70.455 68.868 0.210 0.000 0.924 1604 T HN 0.103 nan 8.240 nan 0.000 0.456 1605 W N 4.977 126.041 121.300 -0.393 0.000 2.356 1605 W HA 0.438 5.098 4.660 -0.000 0.000 0.311 1605 W C -1.367 174.874 176.519 -0.463 0.000 1.328 1605 W CA -0.404 56.537 57.345 -0.674 0.000 1.251 1605 W CB 0.512 28.837 29.460 -1.891 0.000 1.280 1605 W HN 0.286 nan 8.180 nan 0.000 0.524 1606 V N 5.982 125.576 119.914 -0.533 0.000 2.447 1606 V HA 0.211 4.331 4.120 -0.000 0.000 0.292 1606 V C -0.468 175.310 176.094 -0.527 0.000 1.021 1606 V CA -0.767 61.240 62.300 -0.488 0.000 0.850 1606 V CB 1.600 33.020 31.823 -0.672 0.000 1.005 1606 V HN 0.527 nan 8.190 nan 0.000 0.426 1607 E N 3.607 123.663 120.200 -0.240 0.000 2.224 1607 E HA 0.338 4.688 4.350 -0.000 0.000 0.265 1607 E C -0.740 175.938 176.600 0.130 0.000 0.878 1607 E CA -0.726 55.581 56.400 -0.155 0.000 0.759 1607 E CB 1.433 31.035 29.700 -0.164 0.000 1.164 1607 E HN 0.874 nan 8.360 nan 0.000 0.414 1608 H N 5.384 124.474 119.070 0.033 0.000 2.929 1608 H HA -0.042 4.514 4.556 -0.000 0.000 0.317 1608 H C -1.208 174.101 175.328 -0.031 0.000 1.031 1608 H CA -0.025 55.987 56.048 -0.059 0.000 1.466 1608 H CB 0.533 30.252 29.762 -0.072 0.000 1.482 1608 H HN 0.483 nan 8.280 nan 0.000 0.561 1609 W N 9.018 129.899 121.300 -0.699 0.000 2.283 1609 W HA 0.271 4.931 4.660 -0.000 0.000 0.317 1609 W C -2.647 173.438 176.519 -0.723 0.000 1.042 1609 W CA -2.963 54.071 57.345 -0.519 0.000 1.348 1609 W CB 0.703 30.030 29.460 -0.222 0.000 1.216 1609 W HN 0.591 nan 8.180 nan 0.000 0.404 1610 P HA -0.111 nan 4.420 nan 0.000 0.267 1610 P C 0.187 177.475 177.300 -0.021 0.000 1.201 1610 P CA 0.649 63.644 63.100 -0.175 0.000 0.775 1610 P CB 0.734 32.413 31.700 -0.035 0.000 0.854 1611 E N 1.915 122.114 120.200 -0.000 0.000 2.422 1611 E HA -0.053 4.296 4.350 -0.000 0.000 0.260 1611 E C 1.108 177.683 176.600 -0.040 0.000 1.108 1611 E CA 0.210 56.593 56.400 -0.027 0.000 0.943 1611 E CB 0.253 29.972 29.700 0.032 0.000 0.961 1611 E HN 0.380 nan 8.360 nan 0.000 0.443 1612 E N 0.707 120.855 120.200 -0.086 0.000 2.268 1612 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 1612 E C 0.929 177.518 176.600 -0.019 0.000 0.995 1612 E CA 1.058 57.420 56.400 -0.064 0.000 0.836 1612 E CB 0.048 29.691 29.700 -0.095 0.000 0.763 1612 E HN 0.400 nan 8.360 nan 0.000 0.491 1613 D N 0.165 120.559 120.400 -0.010 0.000 2.183 1613 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 1613 D C 1.296 177.604 176.300 0.013 0.000 0.962 1613 D CA 0.584 54.586 54.000 0.004 0.000 0.849 1613 D CB 0.038 40.842 40.800 0.006 0.000 0.978 1613 D HN 0.187 nan 8.370 nan 0.000 0.488 1614 E N -0.194 120.018 120.200 0.020 0.000 2.267 1614 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 1614 E C 1.404 178.020 176.600 0.027 0.000 0.998 1614 E CA 0.437 56.855 56.400 0.030 0.000 0.830 1614 E CB -0.086 29.642 29.700 0.047 0.000 0.751 1614 E HN 0.302 nan 8.360 nan 0.000 0.491 1615 c N 0.543 119.159 118.600 0.027 0.000 2.449 1615 c HA -0.053 4.517 4.570 -0.000 0.000 0.283 1615 c C 2.049 176.153 174.090 0.025 0.000 1.453 1615 c CA 0.512 56.860 56.329 0.032 0.000 1.779 1615 c CB -0.642 41.896 42.510 0.048 0.000 1.779 1615 c HN 0.404 nan 8.230 nan 0.000 0.546 1616 Q N 0.012 119.824 119.800 0.020 0.000 2.384 1616 Q HA 0.098 4.438 4.340 -0.000 0.000 0.207 1616 Q C -0.094 175.915 176.000 0.014 0.000 0.904 1616 Q CA 0.297 56.110 55.803 0.016 0.000 0.933 1616 Q CB 0.012 28.758 28.738 0.013 0.000 1.077 1616 Q HN 0.516 nan 8.270 nan 0.000 0.522 1617 D N 2.978 123.387 120.400 0.016 0.000 2.472 1617 D HA -0.070 4.570 4.640 -0.000 0.000 0.248 1617 D C -0.031 176.276 176.300 0.012 0.000 1.174 1617 D CA 0.240 54.248 54.000 0.014 0.000 0.883 1617 D CB 0.528 41.338 40.800 0.017 0.000 1.149 1617 D HN 0.249 nan 8.370 nan 0.000 0.488 1618 E N 1.603 121.809 120.200 0.010 0.000 2.574 1618 E HA -0.041 4.309 4.350 -0.000 0.000 0.306 1618 E C 0.081 176.686 176.600 0.008 0.000 1.166 1618 E CA 0.299 56.704 56.400 0.009 0.000 1.263 1618 E CB 0.186 29.891 29.700 0.008 0.000 1.078 1618 E HN 0.429 nan 8.360 nan 0.000 0.481 1619 E N 1.292 121.497 120.200 0.008 0.000 1.691 1619 E HA 0.001 4.351 4.350 -0.000 0.000 0.228 1619 E C 0.497 177.102 176.600 0.008 0.000 1.065 1619 E CA 0.352 56.757 56.400 0.009 0.000 1.388 1619 E CB -0.157 29.551 29.700 0.012 0.000 4.221 1619 E HN 0.344 nan 8.360 nan 0.000 0.873 1620 N N -0.146 118.560 118.700 0.010 0.000 2.250 1620 N HA 0.121 4.861 4.740 -0.000 0.000 0.190 1620 N C 1.233 176.743 175.510 -0.000 0.000 1.116 1620 N CA 0.053 53.106 53.050 0.005 0.000 0.881 1620 N CB 0.413 38.909 38.487 0.015 0.000 1.006 1620 N HN 0.010 nan 8.380 nan 0.000 0.491 1621 Q N 1.012 120.816 119.800 0.005 0.000 2.096 1621 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 1621 Q C 1.814 177.815 176.000 0.001 0.000 0.982 1621 Q CA 1.494 57.301 55.803 0.008 0.000 0.850 1621 Q CB 0.048 28.792 28.738 0.010 0.000 0.901 1621 Q HN 0.125 nan 8.270 nan 0.000 0.422 1622 K N 0.949 121.347 120.400 -0.004 0.000 1.985 1622 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 1622 K C 1.931 178.517 176.600 -0.023 0.000 1.047 1622 K CA 1.838 58.121 56.287 -0.008 0.000 0.932 1622 K CB -0.356 32.141 32.500 -0.006 0.000 0.716 1622 K HN 0.143 nan 8.250 nan 0.000 0.439 1623 Q N -0.444 119.332 119.800 -0.040 0.000 2.084 1623 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 1623 Q C 2.103 178.032 176.000 -0.120 0.000 0.978 1623 Q CA 1.922 57.675 55.803 -0.084 0.000 0.844 1623 Q CB -0.243 28.437 28.738 -0.096 0.000 0.898 1623 Q HN 0.489 nan 8.270 nan 0.000 0.426 1624 c N 0.638 119.195 118.600 -0.072 0.000 2.435 1624 c HA -0.082 4.488 4.570 -0.000 0.000 0.279 1624 c C 2.557 176.649 174.090 0.004 0.000 1.321 1624 c CA 0.678 56.984 56.329 -0.038 0.000 1.752 1624 c CB -0.655 41.877 42.510 0.037 0.000 1.959 1624 c HN 0.578 nan 8.230 nan 0.000 0.500 1625 Q N 0.174 119.978 119.800 0.006 0.000 2.187 1625 Q HA -0.134 4.206 4.340 -0.000 0.000 0.199 1625 Q C 1.560 177.573 176.000 0.023 0.000 0.957 1625 Q CA 1.194 57.014 55.803 0.028 0.000 0.857 1625 Q CB -0.129 28.623 28.738 0.024 0.000 0.929 1625 Q HN 0.620 nan 8.270 nan 0.000 0.453 1626 D N 0.899 121.292 120.400 -0.012 0.000 2.084 1626 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 1626 D C 1.887 178.175 176.300 -0.020 0.000 0.990 1626 D CA 0.957 54.950 54.000 -0.011 0.000 0.826 1626 D CB -0.203 40.574 40.800 -0.040 0.000 0.971 1626 D HN 0.116 nan 8.370 nan 0.000 0.453 1627 L N 0.385 121.511 121.223 -0.160 0.000 2.043 1627 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 1627 L C 2.529 179.426 176.870 0.046 0.000 1.075 1627 L CA 1.598 56.253 54.840 -0.308 0.000 0.752 1627 L CB -0.806 40.691 42.059 -0.936 0.000 0.891 1627 L HN 0.128 nan 8.230 nan 0.000 0.432 1628 G N -0.688 108.190 108.800 0.130 0.000 2.421 1628 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 1628 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 1628 G C 1.731 176.739 174.900 0.180 0.000 1.171 1628 G CA 0.769 45.998 45.100 0.215 0.000 0.775 1628 G HN 0.483 nan 8.290 nan 0.000 0.543 1629 A N 0.071 122.974 122.820 0.138 0.000 2.015 1629 A HA 0.152 4.472 4.320 -0.000 0.000 0.219 1629 A C 2.110 179.784 177.584 0.150 0.000 1.163 1629 A CA 1.358 53.468 52.037 0.121 0.000 0.646 1629 A CB -0.451 18.602 19.000 0.088 0.000 0.806 1629 A HN 0.415 nan 8.150 nan 0.000 0.448 1630 F N 1.365 121.329 119.950 0.024 0.000 2.113 1630 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 1630 F C 2.405 178.246 175.800 0.068 0.000 1.103 1630 F CA 2.269 60.280 58.000 0.019 0.000 1.248 1630 F CB -0.525 38.465 39.000 -0.018 0.000 0.999 1630 F HN 0.200 nan 8.300 nan 0.000 0.475 1631 T N -0.087 114.627 114.554 0.265 0.000 2.746 1631 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 1631 T C 1.740 176.475 174.700 0.059 0.000 1.039 1631 T CA 1.761 63.979 62.100 0.197 0.000 1.142 1631 T CB -0.369 68.722 68.868 0.373 0.000 0.866 1631 T HN 0.357 nan 8.240 nan 0.000 0.444 1632 E N 0.683 120.932 120.200 0.081 0.000 2.038 1632 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 1632 E C 2.512 179.138 176.600 0.043 0.000 1.000 1632 E CA 1.326 57.760 56.400 0.057 0.000 0.803 1632 E CB -0.172 29.574 29.700 0.077 0.000 0.750 1632 E HN 0.379 nan 8.360 nan 0.000 0.448 1633 S N -0.016 115.711 115.700 0.045 0.000 2.356 1633 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 1633 S C 2.024 176.636 174.600 0.021 0.000 1.032 1633 S CA 1.232 59.500 58.200 0.113 0.000 1.005 1633 S CB -0.096 63.104 63.200 -0.000 0.000 0.867 1633 S HN 0.146 nan 8.310 nan 0.000 0.449 1634 M N 0.833 120.311 119.600 -0.203 0.000 2.086 1634 M HA -0.047 4.433 4.480 -0.000 0.000 0.261 1634 M C 2.303 178.542 176.300 -0.102 0.000 1.067 1634 M CA 1.207 56.357 55.300 -0.249 0.000 1.116 1634 M CB -1.283 31.008 32.600 -0.516 0.000 1.348 1634 M HN 0.272 nan 8.290 nan 0.000 0.407 1635 V N -0.356 119.522 119.914 -0.061 0.000 2.626 1635 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 1635 V C 2.331 178.390 176.094 -0.059 0.000 1.067 1635 V CA 1.055 63.339 62.300 -0.026 0.000 1.081 1635 V CB -0.257 31.570 31.823 0.007 0.000 0.686 1635 V HN 0.219 nan 8.190 nan 0.000 0.468 1636 V N -1.700 118.155 119.914 -0.098 0.000 2.521 1636 V HA 0.032 4.152 4.120 -0.000 0.000 0.239 1636 V C 1.888 177.798 176.094 -0.306 0.000 1.053 1636 V CA 1.451 63.604 62.300 -0.244 0.000 1.073 1636 V CB -0.416 31.170 31.823 -0.394 0.000 0.746 1636 V HN 0.441 nan 8.190 nan 0.000 0.476 1637 F N 0.554 120.466 119.950 -0.063 0.000 2.569 1637 F HA 0.445 4.971 4.527 -0.000 0.000 0.295 1637 F C 1.773 177.529 175.800 -0.073 0.000 1.115 1637 F CA 0.877 58.838 58.000 -0.065 0.000 1.450 1637 F CB -0.417 38.540 39.000 -0.072 0.000 1.107 1637 F HN 0.324 nan 8.300 nan 0.000 0.563 1638 G N -0.068 108.768 108.800 0.060 0.000 2.569 1638 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.259 1638 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.259 1638 G C -0.674 174.211 174.900 -0.025 0.000 1.263 1638 G CA -0.520 44.577 45.100 -0.004 0.000 0.928 1638 G HN 0.308 nan 8.290 nan 0.000 0.572 1639 c N 2.365 120.937 118.600 -0.048 0.000 2.358 1639 c HA 0.612 5.182 4.570 -0.000 0.000 0.342 1639 c C 0.176 174.236 174.090 -0.050 0.000 1.234 1639 c CA -0.107 56.176 56.329 -0.077 0.000 1.969 1639 c CB 1.314 43.761 42.510 -0.105 0.000 2.346 1639 c HN 0.716 nan 8.230 nan 0.000 0.525 1640 P HA -0.145 nan 4.420 nan 0.000 0.218 1640 P C -0.093 177.185 177.300 -0.036 0.000 1.146 1640 P CA 1.764 64.832 63.100 -0.053 0.000 0.820 1640 P CB -0.019 31.638 31.700 -0.071 0.000 0.778 1641 N N 0.000 118.677 118.700 -0.039 0.000 1.763 1641 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1641 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 1641 N CB 0.000 38.476 38.487 -0.019 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667